Crystallography Open Database

Information card for entry 7211985

7211984 << 7211985 >> 7211986

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Coordinates	7211985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H60 N8 Ni3 O21
Calculated formula	C70 H52 N8 Ni3 O21
Title of publication	Diverse Ni(ii) MOFs constructed from asymmetric semi-rigid V-shaped multicarboxylate ligands: structures and magnetic properties
Authors of publication	Wang, Hailong; Zhang, Daopeng; Sun, Daofeng; Chen, Yuting; Wang, Kang; Ni, Zhong-Hai; Tian, Laijin; Jiang, Jianzhuang
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	4
Pages of publication	1096
a	17.0025 ± 0.0014 Å
b	36.907 ± 0.003 Å
c	11.2149 ± 0.001 Å
α	90°
β	94.907 ± 0.002°
γ	90°
Cell volume	7011.7 ± 1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0663
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1252
Weighted residual factors for all reflections included in the refinement	0.1356
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7211985.cif
92522	2014-01-12	cif/ Adding structures of 7211985, 7211986, 7211987, 7211988 via cif-deposit CGI script.	7211985.cif