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Information card for 7205774

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Coordinates

7205774.cif

Structure parameters

Formula - C42 H42 Cu3 Mo12 N12 O40 P -
Calculated formula - C42 H42 Cu3 Mo12 N12 O40 P -
Title of publication Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains
Authors of publication Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin
Journal of publication CrystEngComm
Year of publication 2011
Journal volume 13
Journal issue 10
Pages of publication 3526
a 19.675 ± 0.002 Å
b 36.612 ± 0.0013 Å
c 27.69 ± 0.003 Å
α 90°
β 134.453 ± 0.019°
γ 90°
Cell volume 14238 ± 5 Å3
Cell temperature 291 ± 2 K
Ambient diffraction temperature 291 ± 2 K
Number of distinct elements 7
Hermann-Mauguin symmetry space group P 1 21/c 1
Hall symmetry space group -P 2ybc
Residual factor for all reflections 0.0789
Residual factor for observed reflections 0.0489
Weighted residual factors for the observed reflections 0.0931
Weighted residual factors for all reflections included in the refinement 0.1049
Goodness-of-fit parameter for observed reflections 1.027
Diffraction radiation wavelength 0.71073 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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