Crystallography Open Database

Information card for entry 4341869

Preview

Coordinates	4341869.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H134 N26 Ni17 O142 P4 W30
Calculated formula	C45 H134 N26 Ni17 O142 P4 W30
Title of publication	Planar {Ni6} Cluster-Containing Polyoxometalate-based Inorganic-Organic Hybrid Compound and Its Extended Structure.
Authors of publication	Wang, Xingquan; Liu, Shuxia; Liu, Yiwei; He, Danfeng; Li, Ning; Miao, Jun; Ji, Yujuan; Yang, Guoyu
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141126095850003
a	28.552 ± 0.0017 Å
b	27.8454 ± 0.0017 Å
c	27.887 ± 0.002 Å
α	90°
β	120.61 ± 0.001°
γ	90°
Cell volume	19082 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
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	0.0909
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
179521 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/18.	4341869.cif
128260	2014-12-06	cif/ Adding structures of 4341869 via cif-deposit CGI script.	4341869.cif