Crystallography Open Database

Information card for entry 4508239

Preview

Coordinates	4508239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H84 Cd2 N7 O18
Calculated formula	C63 H30 Cd2 N7 O18
Title of publication	Conformational Supramolecular Isomerism in Two-Dimensional Fluorescent Coordination Polymers Based on Flexible Tetracarboxylate Ligand
Authors of publication	Chen, Da-Shu; Sun, Li-Bo; Liang, Zhi-Qiang; Shao, Kui-Zhan; Wang, Chun-Gang; Su, Zhong-Min; Xing, Hong-Zhu
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	9
Pages of publication	4092
a	10.2101 ± 0.0011 Å
b	21.649 ± 0.002 Å
c	15.8443 ± 0.0014 Å
α	90°
β	110.692 ± 0.006°
γ	90°
Cell volume	3276.3 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.146
Residual factor for significantly intense reflections	0.0792
Weighted residual factors for significantly intense reflections	0.2273
Weighted residual factors for all reflections included in the refinement	0.288
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
179618 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/82.	4508239.cif
88967	2013-10-09	cif/ Adding structures of 4508234, 4508235, 4508236, 4508237, 4508238, 4508239 via cif-deposit CGI script.	4508239.cif