Crystallography Open Database

Information card for entry 7224541

Preview

Coordinates	7224541.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H76 Cd3 N12 O14
Calculated formula	C90 H62 Cd3 N10 O12
Title of publication	Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement
Authors of publication	Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	14
Pages of publication	2546
a	9.8926 ± 0.0016 Å
b	13.378 ± 0.002 Å
c	19.747 ± 0.003 Å
α	97.526 ± 0.003°
β	100.724 ± 0.003°
γ	97.005 ± 0.003°
Cell volume	2516.7 ± 0.7 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	0.0857
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1801
Weighted residual factors for all reflections included in the refinement	0.1905
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
181619 (current)	2016-04-05	cif/ Updating files of 7224535, 7224536, 7224537, 7224538, 7224539, 7224540, 7224541 Original log message: Adding full bibliography for 7224535--7224541.cif.	7224541.cif
178009	2016-03-08	cif/ Adding structures of 7224535, 7224536, 7224537, 7224538, 7224539, 7224540, 7224541 via cif-deposit CGI script.	7224541.cif