Crystallography Open Database

Information card for entry 4081092

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Coordinates	4081092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H134 Bi3 Cl3 N6 Si3
Calculated formula	C84 H134 Bi3 Cl3 N6 Si3
Title of publication	Assigning Hapticity to Cyclopentadienyl Derivatives of Antimony and Bismuth
Authors of publication	Day, Benjamin M.; Coles, Martyn P.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	15
Pages of publication	4270
a	31.6302 ± 0.0006 Å
b	17.407 ± 0.0002 Å
c	16.7434 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	9218.7 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0465
Weighted residual factors for all reflections included in the refinement	0.0479
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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