Crystallography Open Database

Information card for entry 1531948

1531947 << 1531948 >> 1531949

Preview

Coordinates	1531948.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H180 Cl59 N16 O2 Pb21
Calculated formula	C80 H176 Cl59 N16 O Pb21
Title of publication	Semiconductive 3-D haloplumbate framework hybrids with high color rendering index white-light emission
Authors of publication	Wang, Guan-E; Xu, Gang; Wang, Ming-Sheng; Cai, Li-Zhen; Li, Wen-Hua; Guo, Guo-Cong
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	12
Pages of publication	7222
a	21.2016 ± 0.0013 Å
b	15.9211 ± 0.0011 Å
c	26.4092 ± 0.0015 Å
α	90°
β	91.811 ± 0.006°
γ	90°
Cell volume	8910 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1043
Residual factor for significantly intense reflections	0.0938
Weighted residual factors for significantly intense reflections	0.2254
Weighted residual factors for all reflections included in the refinement	0.2311
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1531948.cif
170967	2015-12-09	cif/ Updating files of 1531947, 1531948 Original log message: Adding full bibliography for 1531947--1531948.cif.	1531948.cif
157543	2015-09-18	cif/ Adding structures of 1531947, 1531948 via cif-deposit CGI script.	1531948.cif