Crystallography Open Database

Information card for entry 7205217

7205216 << 7205217 >> 7205218

Preview

Coordinates	7205217.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H40 Mo6 N16 Ni2 O19
Calculated formula	C48 H40 Mo6 N16 Ni2 O19
Title of publication	Synthesis and characterization of two {Mo6}-based/templated metal‒organic frameworks
Authors of publication	Yang, Guang-Sheng; Zang, Hong-Ying; Lan, Ya-Qian; Wang, Xin-Long; Jiang, Chun-Jie; Su, Zhong-Min; Zhu, Lian-De
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	5
Pages of publication	1461
a	12.159 ± 0.004 Å
b	12.159 ± 0.004 Å
c	20.852 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	3082.8 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.1238
Residual factor for significantly intense reflections	0.1067
Weighted residual factors for significantly intense reflections	0.275
Weighted residual factors for all reflections included in the refinement	0.297
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180383 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/52.	7205217.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205217.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205217.cif
14578	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7205217, 7205218 via cif-deposit CGI script.	7205217.cif