Crystallography Open Database

Information card for entry 7116221

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Coordinates	7116221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H117 Cu4 N16 Nb12 O66 Sb2 V
Calculated formula	C16 H64 Cu4 N16 Nb12 O66 Sb2 V
Title of publication	Antimony-dependent expansion for the Keggin heteropolyniobate family.
Authors of publication	Zhang, Zhe-Yu; Peng, Jun; Shi, Zhen-Yu; Zhou, Wan-Li; Khan, Shifa Ullah; Liu, Hong-Sheng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2015
Journal volume	51
Journal issue	15
Pages of publication	3091 - 3093
a	25.702 ± 0.0005 Å
b	25.702 ± 0.0005 Å
c	16.236 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	10725.4 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0568
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1326
Weighted residual factors for all reflections included in the refinement	0.1407
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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