Crystallography Open Database

Information card for entry 7010537

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Coordinates	7010537.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H91 Mo8 N21 Ni3 O45 P V8
Calculated formula	C28 H86 Mo8 N21 Ni3 O45 P V8
Title of publication	Cation-induced assembly of the first mixed molybdenum‒vanadium hexadecametal host shell cluster anions
Authors of publication	Xu, Yan; Zhu, Dun-Ru; Guo, Zi-Jian; Shi, Yu-Jun; Zhang, Kou-Lin; You, Xiao-Zeng
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	6
Pages of publication	772
a	14.293 ± 0.003 Å
b	22.48 ± 0.005 Å
c	26.103 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	8387 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.1147
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1819
Weighted residual factors for all reflections included in the refinement	0.1976
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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