Crystallography Open Database

Information card for entry 7231746

Preview

Coordinates	7231746.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H22 Cd N6 O8
Calculated formula	C32 H22 Cd N6 O8
Title of publication	Photochromic naphthalene diimide Cd-MOFs based on different second dicarboxylic acid ligands
Authors of publication	Li, Ziyin; Guo, Junzhi; Xiang, Fahui; Lin, Quanjie; Ye, Yingxiang; Zhang, Jindan; Chen, Shimin; Zhang, Zhangjing; Xiang, Shengchang
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	46
Pages of publication	7567
a	10.9477 ± 0.0005 Å
b	12.6996 ± 0.0005 Å
c	12.7984 ± 0.0004 Å
α	110.328 ± 0.003°
β	100.145 ± 0.003°
γ	108.53 ± 0.004°
Cell volume	1497.64 ± 0.13 Å³
Cell temperature	296.62 ± 0.1 K
Ambient diffraction temperature	296.62 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0277
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.0647
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229023 (current)	2019-11-17	cif/ Updating files of 7231746, 7231747, 7231748 Original log message: Adding full bibliography for 7231746--7231748.cif.	7231746.cif
211731	2018-11-01	cif/ Adding structures of 7231746, 7231747, 7231748 via cif-deposit CGI script.	7231746.cif