Crystallography Open Database

Information card for entry 4506688

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Coordinates	4506688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H27 Ge12 N5 O27
Calculated formula	C6 H27 Ge12 N5 O27
Title of publication	The Structure of a Complex Open-Framework Germanate Obtained by Combining Powder Charge-Flipping and Simulated Annealing
Authors of publication	Inge, A. Ken; Huang, Shiliang; Chen, Hong; Moraga, Francisca; Sun, Junliang; Zou, Xiaodong
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	10
Pages of publication	4853
a	12.6277 ± 0.001 Å
b	17.3845 ± 0.0011 Å
c	16.305 ± 0.002 Å
α	90°
β	115.87 ± 0.009°
γ	90°
Cell volume	3220.7 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0965
Residual factor for significantly intense reflections	0.078
Weighted residual factors for significantly intense reflections	0.201
Weighted residual factors for all reflections included in the refinement	0.2201
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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