Crystallography Open Database

Information card for entry 4336354

Preview

Coordinates	4336354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H32 N4 Ni7 O26
Calculated formula	C48 H32 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	13.722 ± 0.002 Å
b	19.73 ± 0.003 Å
c	12.988 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3516.3 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	32
Hermann-Mauguin space group symbol	P b a 2
Hall space group symbol	P 2 -2ab
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.105
Weighted residual factors for all reflections included in the refinement	0.1062
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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.	4336354.cif
102332	2014-02-19	cif/ Adding structures of 4336354 via cif-deposit CGI script.	4336354.cif