Crystallography Open Database

Information card for entry 7211987

7211986 << 7211987 >> 7211988

Preview

Coordinates	7211987.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H58 N8 Ni3 O20
Calculated formula	C70 H58 N8 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	9.99 ± 0.003 Å
b	22.497 ± 0.007 Å
c	14.764 ± 0.005 Å
α	90°
β	100.521 ± 0.005°
γ	90°
Cell volume	3262.4 ± 1.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0919
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1234
Weighted residual factors for all reflections included in the refinement	0.1414
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7211987.cif
92522	2014-01-12	cif/ Adding structures of 7211985, 7211986, 7211987, 7211988 via cif-deposit CGI script.	7211987.cif