Crystallography Open Database

Information card for entry 7233969

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Coordinates	7233969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H56 Cl Cu4 Mo9 N12 O50 P V5
Calculated formula	C62 H48 Cl Cu4 Mo9 N12 O50 P V5
Title of publication	Three new compounds based on similar molybdenum‒vanadium clusters and several types of copper complexes
Authors of publication	Xiao, Li-Na; Zhao, Chun-Xiang; Shi, Xiao-Ming; Zhang, Hao; Wu, Wen; Cui, Xiao-Bing
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	7
Pages of publication	969 - 977
a	17.1154 ± 0.0005 Å
b	19.6453 ± 0.0006 Å
c	27.0729 ± 0.0006 Å
α	90°
β	100.26 ± 0.002°
γ	90°
Cell volume	8957.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	9
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	0.1099
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.111
Weighted residual factors for all reflections included in the refinement	0.1447
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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