Crystallography Open Database

Information card for entry 4336352

Preview

Coordinates	4336352.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H40 N4 Ni7 O26
Calculated formula	C66 H40 N4 Ni7 O26
Title of publication	Four Coordination Polymers Based on Identical Eight-Connected Heptanuclear Clusters: Spin Canting, Spin Glass, Antiferromagnetism, and Gas Adsorption
Authors of publication	Jia Li; Bao Li; Peng Huang; Hai-Yan Shi; Rong-Bin Huang; Lan-Sun Zheng; Jun Tao
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11573 - 11579
a	13.6192 ± 0.0008 Å
b	12.9919 ± 0.0006 Å
c	20.361 ± 0.001 Å
α	90°
β	103.612 ± 0.005°
γ	90°
Cell volume	3501.5 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0524
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1158
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
179466 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/63.	4336352.cif
102330	2014-02-19	cif/ Adding structures of 4336352 via cif-deposit CGI script.	4336352.cif