Crystallography Open Database

Information card for entry 8000466

Preview

Coordinates	8000466.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H74 Br9 In N6 O
Calculated formula	C48 H74 Br9 In N6 O
Title of publication	Realizing Tunable White Light Emission in Lead-Free Indium(III) Bromine Hybrid Single Crystals through Antimony(III) Cation Doping.
Authors of publication	Li, Zhongyuan; Song, Gaomin; Li, Ye; Wang, Le; Zhou, Tianliang; Lin, Zheshuai; Xie, Rong-Jun
Journal of publication	The journal of physical chemistry letters
Year of publication	2020
Journal volume	11
Journal issue	23
Pages of publication	10164 - 10172
a	10.2996 ± 0.0001 Å
b	26.3489 ± 0.0002 Å
c	22.2194 ± 0.0002 Å
α	90°
β	92.337 ± 0.001°
γ	90°
Cell volume	6024.96 ± 0.09 Å³
Cell temperature	99.9 ± 0.3 K
Ambient diffraction temperature	99.9 ± 0.3 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.0961
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
259530 (current)	2020-12-04	cif/ Updating files of 8000466 Original log message: Adding full bibliography for 8000466.cif.	8000466.cif
259153	2020-11-17	cif/ Adding structures of 8000466 via cif-deposit CGI script.	8000466.cif