Crystallography Open Database

Information card for entry 4303666

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Coordinates	4303666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H66 Bi2 O12
Calculated formula	C60 H60.622 Bi2 O12
Title of publication	Bismuth Aryloxides
Authors of publication	Xiaodi Kou; Xiaoyu Wang; Daniel Mendoza-Espinosa; Lev N. Zakharov; Arnold L. Rheingold; William H. Watson; Kimberly A. Brien; L. Kasun Jayarathna; Tracy A. Hanna
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	11002 - 11016
a	12.5971 ± 0.0007 Å
b	17.4214 ± 0.001 Å
c	12.9355 ± 0.0008 Å
α	90°
β	104.813 ± 0.001°
γ	90°
Cell volume	2744.5 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
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	0.0421
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0934
Weighted residual factors for all reflections included in the refinement	0.0967
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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