Crystallography Open Database

Information card for entry 7708341

Preview

Coordinates	7708341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H76 Ge8.5 K2 N5 Ni O12
Calculated formula	C37 H76 Ge8.5 K2 N5 Ni O12
Title of publication	Filled Trivacant Icosahedra as Building Fragments in 17-atomic Endohedral Germanides [TM2@Ge17]n- (TM = Co, Ni)
Authors of publication	Wallach, Chistoph; Selic, Yasmin; Witzel, Benedikt; Klein, Wilhelm; Fässler, Thomas F
Journal of publication	Dalton Transactions
Year of publication	2021
a	27.862 ± 0.0005 Å
b	16.517 ± 0.0003 Å
c	27.949 ± 0.0005 Å
α	90°
β	117.46 ± 0.001°
γ	90°
Cell volume	11412.9 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0896
Residual factor for significantly intense reflections	0.0734
Weighted residual factors for significantly intense reflections	0.16
Weighted residual factors for all reflections included in the refinement	0.1728
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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