Crystallography Open Database

Information card for entry 7231122

Preview

Coordinates	7231122.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H35 Cd2 N6 O12
Calculated formula	C44 H35 Cd2 N6 O12
Title of publication	Structural diversity, magnetic properties, and luminescence sensing of five 3D coordination polymers derived from designed 3,5-di(2′,4′-dicarboxylphenyl)benozoic acid
Authors of publication	Fan, Liming; Zhang, Yujuan; Liang, Jinfang; Wang, Xiaoqing; Lv, Hongxiao; Wang, Jiang; Zhao, Li; Zhang, Xiutang
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	33
Pages of publication	4752
a	13.2168 ± 0.0005 Å
b	13.4274 ± 0.0005 Å
c	13.7151 ± 0.0005 Å
α	74.321 ± 0.001°
β	70.086 ± 0.001°
γ	61.743 ± 0.001°
Cell volume	1998.2 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0398
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.0993
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
228946 (current)	2019-11-17	cif/ Updating files of 7231121, 7231122, 7231123, 7231124, 7231125 Original log message: Adding full bibliography for 7231121--7231125.cif.	7231122.cif
208985	2018-07-12	cif/ Adding structures of 7231121, 7231122, 7231123, 7231124, 7231125 via cif-deposit CGI script.	7231122.cif