Crystallography Open Database

Information card for entry 4508236

Preview

Coordinates	4508236.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H76 Cd2 N8 O18
Calculated formula	C62 H76 Cd2 N8 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	15.972 ± 0.002 Å
b	21.984 ± 0.003 Å
c	20.09 ± 0.003 Å
α	90°
β	113.194 ± 0.002°
γ	90°
Cell volume	6484 ± 1.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.173
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1419
Weighted residual factors for all reflections included in the refinement	0.1891
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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.	4508236.cif
88967	2013-10-09	cif/ Adding structures of 4508234, 4508235, 4508236, 4508237, 4508238, 4508239 via cif-deposit CGI script.	4508236.cif