Crystallography Open Database

Information card for entry 7211986

7211985 << 7211986 >> 7211987

Preview

Coordinates	7211986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H50 N6 Ni3 O20
Calculated formula	C60 H48 N6 Ni3 O20
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	11.336 ± 0.003 Å
b	19.518 ± 0.006 Å
c	27.059 ± 0.008 Å
α	90°
β	98.092 ± 0.005°
γ	90°
Cell volume	5927 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0904
Residual factor for significantly intense reflections	0.0768
Weighted residual factors for significantly intense reflections	0.1986
Weighted residual factors for all reflections included in the refinement	0.2094
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
180450 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/19.	7211986.cif
92522	2014-01-12	cif/ Adding structures of 7211985, 7211986, 7211987, 7211988 via cif-deposit CGI script.	7211986.cif