Crystallography Open Database

Information card for entry 7701995

7701994 << 7701995 >> 7701996

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Coordinates	7701995.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C110 H228 Cu11 N22 Nb20 O131
Calculated formula	C110 H88 Cu11 N22 Nb20 O79
Title of publication	Two synthetic routes generate two isopolyoxoniobates based on {Nb16} and {Nb20}
Authors of publication	Niu, Jingyang; Liang, Zhijie; Qiao, Yuanyuan; Li, Miaomiao; Ma, Pengtao; Wang, Jingping
Journal of publication	Dalton Transactions
Year of publication	2019
a	19.1459 ± 0.0007 Å
b	19.639 ± 0.0008 Å
c	35.0769 ± 0.0015 Å
α	97.782 ± 0.002°
β	94.089 ± 0.001°
γ	115.18 ± 0.001°
Cell volume	11703.1 ± 0.8 Å³
Cell temperature	296 K
Ambient diffraction temperature	296.15 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	0.0695
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1551
Weighted residual factors for all reflections included in the refinement	0.1648
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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