Crystallography Open Database

Information card for entry 4347999

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Coordinates	4347999.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H54 Ge25 N12.25 Ni2 O60
Calculated formula	C12.9936 H50.118 Ge24.9975 N11.681 Ni2.0562 O59.707
Title of publication	SU-79: a novel germanate with 3D 10- and 11-ring channels templated by a square-planar nickel complex
Authors of publication	Huang, Shiliang; Su, Jie; Christensen, Kirsten; Inge, A. Ken; Liang, Jie; Zou, Xiaodong; Sun, Junliang
Journal of publication	Inorg. Chem. Front.
Year of publication	2014
Journal volume	1
Journal issue	3
Pages of publication	278
a	37.7974 ± 0.0011 Å
b	10.4874 ± 0.0002 Å
c	20.9666 ± 0.0004 Å
α	90°
β	106.765 ± 0.003°
γ	90°
Cell volume	7957.8 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0633
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.175
Weighted residual factors for all reflections included in the refinement	0.1784
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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