Crystallography Open Database

Information card for entry 4341868

Preview

Coordinates	4341868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H8 N4 Ni13 O168 P4 W30
Calculated formula	C4 H8 N4 Ni13 O168 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	14.8355 ± 0.0004 Å
b	18.1052 ± 0.0004 Å
c	28.8773 ± 0.0006 Å
α	90°
β	95.671 ± 0.002°
γ	90°
Cell volume	7718.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0791
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1131
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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.	4341868.cif
128259	2014-12-06	cif/ Adding structures of 4341868 via cif-deposit CGI script.	4341868.cif