Crystallography Open Database

Information card for entry 7111663

Preview

Coordinates	7111663.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H12 N4 Ni O8
Calculated formula	C22 H12 N4 Ni O8
Title of publication	Long-range ordering or not: magnetic properties modulated by second ligands in flexible three-dimensional metal‒organic frameworks
Authors of publication	Tian, Hua; Jia, Qin-Xiang; Gao, En-Qing; Wang, Qing-Lun
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	29
Pages of publication	5349 - 5351
a	19.8537 ± 0.0009 Å
b	11.2886 ± 0.0005 Å
c	9.5983 ± 0.0004 Å
α	90°
β	107.339 ± 0.001°
γ	90°
Cell volume	2053.42 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0328
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0841
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
180230 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/16.	7111663.cif
96721	2014-01-29	cif/ Adding structures of 7111663, 7111664 via cif-deposit CGI script.	7111663.cif