Crystallography Open Database

Information card for entry 4510348

Preview

Coordinates	4510348.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H46 Cd3 N4 O14
Calculated formula	C50 H46 Cd3 N4 O14
Title of publication	Crystal Structures and Properties of Cd(II) Coordination Polymers Supported by a New Chiral Aromatic Polycarboxylate Ligand
Authors of publication	Cao, Li-Hui; Wei, Yong-Li; Yang, Yang; Xu, Hong; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	4
Pages of publication	1827
a	16.9258 ± 0.0008 Å
b	10.7402 ± 0.0005 Å
c	27.8893 ± 0.0017 Å
α	90°
β	105.97 ± 0.005°
γ	90°
Cell volume	4874.2 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0771
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.095
Goodness-of-fit parameter for all reflections included in the refinement	1.162
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4510348.cif
109052	2014-04-07	cif/ Adding structures of 4510347, 4510348, 4510349, 4510350, 4510351, 4510352 via cif-deposit CGI script.	4510348.cif