M. D. Smith, A. Jaffe, E. R. Dohner, A. M. Lindenberg, and H. I. Karunadasa, Structural origins of broadband emission from layered Pb–Br hybrid perovskites, Chemical Science 8, 4497‑4504 (2017). doi: 10.1039/c7sc01590a.
2-methyl-1,5-pentanediamine lead bromide: atomic structure Verified
Origin: experimental (T = 298.0 K)
Space group: C 2/c
Lattice parameters

Crystal system: monoclinic

a:24.4632 (±0.0015) Å
b:8.0039 (±0.0004) Å
c:8.1963 (±0.0005) Å
α:90°
β:99.745 (±0.002)°
γ:90°
Fixed parameters:
  • temperature = 298.0 K
M. D. Smith, A. Jaffe, E. R. Dohner, A. M. Lindenberg, and H. I. Karunadasa, Structural origins of broadband emission from layered Pb–Br hybrid perovskites, Chemical Science 8, 4497‑4504 (2017). doi: 10.1039/c7sc01590a.
System description
Dimensionality: D
Sample type: single crystal

Starting materials: 2-methyl-1,5-pentanediamine, PbBr2, HBr

Product: needle-like colorless crystal

Description: 0.34 mmol PbBr2, 0.35 mmol 2-methyl-1,5-pentanediamine are mixed in 3 mL of 9M HBr. The mixture is then heated to 100 ˚C for 2 h to dissolve the solid, and then slowly cooled down to room temperature at −2 °C·hr−1.

Method: Single crystal X-ray diffraction

Description: Frames were collected using Bruker D8 Venture diffractometer equipped with a Photon 100 CMOS detector employing Mo Kα radiation (λ=0.71073 Å).

Entry added on: Aug. 15, 2019, 2:52 p.m.
Entry added by: Xixi Qin Duke University
Last updated on: June 22, 2022, 9:40 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 488 Did you find any mistakes or inconsistencies about this data? Send us a note and we'll have a look at it and send you a reply. Thanks!

Bis(butylammonium) lead bromide: atomic structure Verified

See all entries for this property (2 total)

Origin: experimental (T = 298.0 K)
Space group: P b c a
Lattice parameters

Crystal system: orthorhombic

a:8.3343 (±0.0003) Å
b:8.2225 (±0.0004) Å
c:27.6171 (±0.0015) Å
α:90°
β:90°
γ:90°
Fixed parameters:
  • temperature = 298.0 K
M. D. Smith, A. Jaffe, E. R. Dohner, A. M. Lindenberg, and H. I. Karunadasa, Structural origins of broadband emission from layered Pb–Br hybrid perovskites, Chemical Science 8, 4497‑4504 (2017). doi: 10.1039/c7sc01590a.
System description
Dimensionality: D
Sample type: single crystal

Starting materials: n-butylamine, PbBr2, HBr

Product: plate-like colorless crystals

Description: 0.34 mmol PbBr2, 0.7 mmol n-butylamine are mixed in 3 mL of 9M HBr. The mixture is then heated to 100 ˚C for 2 h to dissolve the solid, and then slowly cooled down to room temperature at −2 °C·hr−1.

Method: Single crystal X-ray diffraction

Description: Frames were collected using Bruker D8 Venture diffractometer equipped with a Photon 100 CMOS detector employing Mo Kα radiation (λ=0.71073 Å).

Entry added on: Aug. 15, 2019, 3:05 p.m.
Entry added by: Xixi Qin Duke University
Last updated on: June 22, 2022, 9:59 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 489 Did you find any mistakes or inconsistencies about this data? Send us a note and we'll have a look at it and send you a reply. Thanks!

1,8-octyldiammonium lead bromide: atomic structure Verified
Origin: experimental (T = 298.0 K)
Space group: P 2₁/c
Lattice parameters

Crystal system: monoclinic

a:13.807 (±0.003) Å
b:7.9891 (±0.0014) Å
c:8.2769 (±0.0014) Å
α:90°
β:104.34 (±0.006)°
γ:90°
Fixed parameters:
  • temperature = 298.0 K
M. D. Smith, A. Jaffe, E. R. Dohner, A. M. Lindenberg, and H. I. Karunadasa, Structural origins of broadband emission from layered Pb–Br hybrid perovskites, Chemical Science 8, 4497‑4504 (2017). doi: 10.1039/c7sc01590a.
System description
Dimensionality: D
Sample type: single crystal

Starting materials: octanediamine, PbBr2, HBr

Product: plate-like colorless crystals

Description: 0.34 mmol PbBr2, 0.35 mmol octanediamine are mixed in 3 mL of 9M HBr. The mixture is then heated to 100 ˚C for 2 h to dissolve the solid, and then slowly cooled down to room temperature at −2 °C·hr−1.

Method: Single crystal X-ray diffraction

Description: Frames were collected using Bruker D8 Venture diffractometer equipped with a Photon 100 CMOS detector employing Mo Kα radiation (λ=0.71073 Å).

Entry added on: Aug. 15, 2019, 3:13 p.m.
Entry added by: Xixi Qin Duke University
Last updated on: June 22, 2022, 9:45 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 490 Did you find any mistakes or inconsistencies about this data? Send us a note and we'll have a look at it and send you a reply. Thanks!

bis(4-aminobutonic acid) lead bromide: atomic structure Verified
Origin: experimental (T = 298.0 K)
Space group: P 2₁/c
Lattice parameters

Crystal system: monoclinic

a:24.7721 (±0.0012) Å
b:8.0709 (±0.0004) Å
c:56.964 (±0.003) Å
α:90°
β:97.137 (±0.002)°
γ:90°
Fixed parameters:
  • temperature = 298.0 K
M. D. Smith, A. Jaffe, E. R. Dohner, A. M. Lindenberg, and H. I. Karunadasa, Structural origins of broadband emission from layered Pb–Br hybrid perovskites, Chemical Science 8, 4497‑4504 (2017). doi: 10.1039/c7sc01590a.
System description
Dimensionality: D
Sample type: single crystal

Starting materials: 3-carboxypropan-1-amine, PbBr2, HBr

Product: plate-like colorless crystals

Description: 0.34 mmol PbBr2, 0.7 mmol 3-carboxypropan-1-amine are mixed in 3 mL of 9M HBr. The mixture is then heated to 100 ˚C for 2 h to dissolve the solid, and then slowly cooled down to room temperature at −2 °C·hr−1.

Method: Single crystal X-ray diffraction

Description: Frames were collected using Bruker D8 Venture diffractometer equipped with a Photon 100 CMOS detector employing Mo Kα radiation (λ=0.71073 Å).

Entry added on: Aug. 15, 2019, 3:18 p.m.
Entry added by: Xixi Qin Duke University
Last updated on: June 22, 2022, 9:45 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 491 Did you find any mistakes or inconsistencies about this data? Send us a note and we'll have a look at it and send you a reply. Thanks!

3-(2-ammonioethyl)anilinium lead bromide: atomic structure Verified
Origin: experimental (T = 298.0 K)
Space group: P 2₁/c
Lattice parameters

Crystal system: monoclinic

a:7.7688 (±0.0003) Å
b:8.5108 (±0.0004) Å
c:24.6314 (±0.0011) Å
α:90°
β:95.197 (±0.002)°
γ:90°
Fixed parameters:
  • temperature = 298.0 K
M. D. Smith, A. Jaffe, E. R. Dohner, A. M. Lindenberg, and H. I. Karunadasa, Structural origins of broadband emission from layered Pb–Br hybrid perovskites, Chemical Science 8, 4497‑4504 (2017). doi: 10.1039/c7sc01590a.
System description
Dimensionality: D
Sample type: single crystal

Starting materials: 3-(2-ammonioethyl)anilin, PbBr2, HBr

Product: plate-like colorless crystals

Description: 0.34 mmol PbBr2, 0.35 mmol 3-(2-ammonioethyl)anilin are mixed in 3 mL of 9M HBr. The mixture is then heated to 100 ˚C for 2 h to dissolve the solid, and then slowly cooled down to room temperature at −2 °C·hr−1.

Method: Single crystal X-ray diffraction

Description: Frames were collected using Bruker D85 diffractometer at the Advanced Light Source beamline 11.3.1 (λ=0.7749 Å).

Entry added on: Aug. 15, 2019, 3:26 p.m.
Entry added by: Xixi Qin Duke University
Last updated on: June 22, 2022, 9:46 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 492 Did you find any mistakes or inconsistencies about this data? Send us a note and we'll have a look at it and send you a reply. Thanks!

1,4-butyldiammonium lead bromide: atomic structure Verified
Origin: experimental (T = 298.0 K)
Space group: P -1
Lattice parameters

Crystal system: triclinic

a:8.0135 (±0.0004) Å
b:8.427 (±0.0004) Å
c:10.7367 (±0.0005) Å
α:78.957 (±0.002)°
β:69.565 (±0.002)°
γ:89.542 (±0.001)°
Fixed parameters:
  • temperature = 298.0 K
M. D. Smith, A. Jaffe, E. R. Dohner, A. M. Lindenberg, and H. I. Karunadasa, Structural origins of broadband emission from layered Pb–Br hybrid perovskites, Chemical Science 8, 4497‑4504 (2017). doi: 10.1039/c7sc01590a.
System description
Dimensionality: D
Sample type: single crystal

Starting materials: butanediamine, PbBr2, HBr

Product: plate-like colorless crystals

Description: 0.34 mmol PbBr2, 0.35 mmol butanediamine are mixed in 3 mL of 9M HBr. The mixture is then heated to 100 ˚C for 2 h to dissolve the solid, and then slowly cooled down to room temperature at −2 °C·hr−1.

Method: Single crystal X-ray diffraction

Description: Frames were collected using Bruker D8 Venture diffractometer equipped with a Photon 100 CMOS detector employing Mo Kα radiation (λ=0.71073 Å).

Entry added on: Aug. 15, 2019, 3:54 p.m.
Entry added by: Xixi Qin Duke University
Last updated on: June 22, 2022, 9:46 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 493 Did you find any mistakes or inconsistencies about this data? Send us a note and we'll have a look at it and send you a reply. Thanks!

Histammonium lead bromide: atomic structure Verified

See all entries for this property (3 total)

Origin: experimental (T = 100.0 K)
Space group: P 2₁/c
Lattice parameters

Crystal system: monoclinic

a:10.5412 (±0.0013) Å
b:11.5023 (±0.0014) Å
c:11.925 (±0.0014) Å
α:90°
β:109.996 (±0.003)°
γ:90°
Fixed parameters:
  • temperature = 100.0 K
M. D. Smith, A. Jaffe, E. R. Dohner, A. M. Lindenberg, and H. I. Karunadasa, Structural origins of broadband emission from layered Pb–Br hybrid perovskites, Chemical Science 8, 4497‑4504 (2017). doi: 10.1039/c7sc01590a.
System description
Dimensionality: D
Sample type: single crystal

Starting materials: Histamine, PbBr2, HBr

Product: plate-like yellow crystals

Description: 0.34 mmol PbBr2, 0.35 mmol histamine are mixed in 3 mL of 9M HBr. The mixture is then heated to 100 ˚C for 2 h to dissolve the solid, and then slowly cooled down to room temperature at −2 °C·hr−1.

Method: Single crystal X-ray diffraction

Description: Frames were collected using Bruker D8 Venture diffractometer equipped with a Photon 100 CMOS detector employing Mo Kα radiation (λ=0.71073 Å).

Entry added on: Aug. 15, 2019, 5:53 p.m.
Entry added by: Xixi Qin Duke University
Last updated on: June 22, 2022, 9:47 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

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Data set ID: 494 Did you find any mistakes or inconsistencies about this data? Send us a note and we'll have a look at it and send you a reply. Thanks!

Histammonium lead bromide: atomic structure Verified

See all entries for this property (3 total)

Origin: experimental (T = 296.15 K)
Space group: P 2₁/c
Lattice parameters

Crystal system: monoclinic

a:10.6055 (±0.0013) Å
b:11.6091 (±0.0014) Å
c:11.9312 (±0.0014) Å
α:90°
β:110.061 (±0.003)°
γ:90°
Fixed parameters:
  • temperature = 296.15 K
M. D. Smith, A. Jaffe, E. R. Dohner, A. M. Lindenberg, and H. I. Karunadasa, Structural origins of broadband emission from layered Pb–Br hybrid perovskites, Chemical Science 8, 4497‑4504 (2017). doi: 10.1039/c7sc01590a.
System description
Dimensionality: D
Sample type: single crystal

Starting materials: Histamine, PbBr2, HBr

Product: plate-like yellow crystals

Description: 0.34 mmol PbBr2, 0.35 mmol histamine are mixed in 3 mL of 9M HBr. The mixture is then heated to 100 ˚C for 2 h to dissolve the solid, and then slowly cooled down to room temperature at −2 °C·hr−1.

Method: Single crystal X-ray diffraction

Description: Frames were collected using Bruker D8 Venture diffractometer equipped with a Photon 100 CMOS detector employing Mo Kα radiation (λ=0.71073 Å).

Entry added on: Aug. 15, 2019, 5:56 p.m.
Entry added by: Xixi Qin Duke University
Last updated on: June 22, 2022, 9:47 p.m.
Last updated by: Rayan C Duke University
Data correctness verified by:
  • Rayan C Duke University

Download data
Data set ID: 495 Did you find any mistakes or inconsistencies about this data? Send us a note and we'll have a look at it and send you a reply. Thanks!


License

All data is available under the Creative Commons license with attribution clause, described here and, in its full text, here.