Crystallography Open Database

Information card for entry 4501524

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Coordinates	4501524.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H154 N40 Na4 O87 Si W12
Calculated formula	C80 H100 N40 Na4 O87 Si W12
Title of publication	Construction of Train-Like Supramolecular Structures from Decamethylcucurbit[5]uril and Iso- or Hetero-Keggin-Type Polyoxotungstates
Authors of publication	Lin, Jing-Xiang; Lü, Jian; Yang, Hong-Xun; Cao, Rong
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	4
Pages of publication	1966
a	27.5763 ± 0.0015 Å
b	16.7925 ± 0.0009 Å
c	16.2791 ± 0.001 Å
α	90°
β	97.954 ± 0.003°
γ	90°
Cell volume	7465.9 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0828
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for significantly intense reflections	0.2077
Weighted residual factors for all reflections included in the refinement	0.2143
Goodness-of-fit parameter for all reflections included in the refinement	1.121
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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