Crystallography Open Database

Information card for entry 4304082

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Coordinates	4304082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H56 Cu4 Mo8 N16 O26
Calculated formula	C40 H56 Cu4 Mo8 N16 O26
Title of publication	Supramolecular Isomerism with Polythreaded Topology Based on [Mo8O26]4- Isomers
Authors of publication	Ya-Qian Lan; Shun-Li Li; Xin-Long Wang; Kui-Zhan Shao; Zhong-Min Su; En-Bo Wang
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	529 - 534
a	12.512 ± 0.0005 Å
b	13.28 ± 0.0005 Å
c	19.805 ± 0.0007 Å
α	95.69 ± 0.001°
β	101.207 ± 0.001°
γ	91.529 ± 0.001°
Cell volume	3208.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0661
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.0894
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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