Crystallography Open Database

Information card for entry 1100848

Preview

Coordinates	1100848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H36 B4 Cl2 Ru2
Calculated formula	C20 H36 B4 Cl2 Ru2
Title of publication	Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~
Authors of publication	Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	10
Pages of publication	2473 - 2480
a	9.0023 ± 0.0003 Å
b	9.5781 ± 0.0004 Å
c	16.027 ± 0.0006 Å
α	76.678 ± 0.001°
β	79.159 ± 0.001°
γ	67.732 ± 0.001°
Cell volume	1236.64 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0251
Residual factor for significantly intense reflections	0.0225
Weighted residual factors for significantly intense reflections	0.0556
Weighted residual factors for all reflections included in the refinement	0.057
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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