Crystallography Open Database

Information card for entry 4510350

Preview

Coordinates	4510350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H46 Cd3 N8 O14
Calculated formula	C52 H46 Cd3 N8 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	18.7884 ± 0.0008 Å
b	10.2572 ± 0.0004 Å
c	13.2908 ± 0.0007 Å
α	90°
β	99.863 ± 0.005°
γ	90°
Cell volume	2523.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0436
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.0679
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4510350.cif
109052	2014-04-07	cif/ Adding structures of 4510347, 4510348, 4510349, 4510350, 4510351, 4510352 via cif-deposit CGI script.	4510350.cif