Crystallography Open Database

Information card for entry 4510351

Preview

Coordinates	4510351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H84 Cd3 N18 O20
Calculated formula	C84 H84 Cd3 N18 O20
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	10.3343 ± 0.0007 Å
b	13.2335 ± 0.0011 Å
c	17.7162 ± 0.0012 Å
α	106.678 ± 0.006°
β	92.95 ± 0.005°
γ	107.797 ± 0.007°
Cell volume	2184 ± 0.3 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	0.1101
Residual factor for significantly intense reflections	0.0738
Weighted residual factors for significantly intense reflections	0.1306
Weighted residual factors for all reflections included in the refinement	0.1419
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
179650 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/03.	4510351.cif
109052	2014-04-07	cif/ Adding structures of 4510347, 4510348, 4510349, 4510350, 4510351, 4510352 via cif-deposit CGI script.	4510351.cif