Crystallography Open Database

Information card for entry 4077046

Preview

Coordinates	4077046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45.5 H49 B9 Cl6 P3 Rh S
Calculated formula	C45.5 H49 B9 Cl6 P3 Rh S
Title of publication	Chemistry of a Metallathiaborane Cluster. 5.†Reaction of [8,8-(η2-dppm)-8-(η1-dppm)-nido-8,7-RhSB9H10] and Its Derivatives with Organotransition-Metal Reagents
Authors of publication	Volkov, Oleg; Rath, Nigam P.; Barton, Lawrence
Journal of publication	Organometallics
Year of publication	2002
Journal volume	21
Journal issue	25
Pages of publication	5505
a	16.416 ± 0.0004 Å
b	20.7474 ± 0.0005 Å
c	16.8186 ± 0.0004 Å
α	90°
β	115.631 ± 0.002°
γ	90°
Cell volume	5164.6 ± 0.2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	7
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	0.1059
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for significantly intense reflections	0.1722
Weighted residual factors for all reflections included in the refinement	0.1903
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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