Crystallography Open Database

Information card for entry 7212568

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Coordinates	7212568.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H62 Mo16 N18 Ni O56
Calculated formula	C54 H62 Mo16 N18 Ni O56
Title of publication	Inorganic‒organic hybrid compounds based on the co-existence of different isomers or forms of polymolybdate
Authors of publication	Zang, Hong-Ying; Tan, Ke; Guan, Wei; Li, Shun-Li; Yang, Guang-Sheng; Shao, Kui-Zhan; Yan, Li-Kai; Su, Zhong-Min
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	11
Pages of publication	3684
a	9.724 ± 0.0004 Å
b	14.315 ± 0.0006 Å
c	18.145 ± 0.0008 Å
α	68.882 ± 0.007°
β	89.791 ± 0.001°
γ	71.188 ± 0.001°
Cell volume	2212.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0504
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0758
Weighted residual factors for all reflections included in the refinement	0.0836
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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