Crystallography Open Database

Information card for entry 7215729

Preview

Coordinates	7215729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H58 B20 K2 N6 O59 V6
Calculated formula	C8 H32 B20 K2 N6 O59 V6
Title of publication	A series of new 3-D boratopolyoxovanadates containing five types of [KxOy]n building units
Authors of publication	An, Litao; Zhou, Jian; Xiao, Hong-Ping; Liu, Xing; Zou, Huahong; Pan, Chun-Yang; Liu, Meihua; Li, Jianhui
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	20
Pages of publication	4236
a	22.3371 ± 0.001 Å
b	12.5753 ± 0.0006 Å
c	22.3967 ± 0.0011 Å
α	90°
β	116.864 ± 0.001°
γ	90°
Cell volume	5612.2 ± 0.5 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	0.0654
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1626
Weighted residual factors for all reflections included in the refinement	0.1645
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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