Crystallography Open Database

Information card for entry 4103776

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Coordinates	4103776.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H92 K12 N24 O82 V18
Calculated formula	C36 H36 K12 N24 O77.7375 V18
Title of publication	Cucurbit[n]uril-Polyoxoanion Hybrids
Authors of publication	Xikui Fang; Paul Kögerler; Lyle Isaacs; Sayaka Uchida; Noritaka Mizuno
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	432 - 433
a	39.761 ± 0.002 Å
b	39.761 ± 0.002 Å
c	14.6366 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	23140 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.1346
Residual factor for significantly intense reflections	0.0898
Weighted residual factors for significantly intense reflections	0.2204
Weighted residual factors for all reflections included in the refinement	0.237
Goodness-of-fit parameter for all reflections included in the refinement	1.127
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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