Crystallography Open Database

Information card for entry 1100795

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Coordinates	1100795.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H95 B8 Cl5 Co4 N6 Si4
Calculated formula	C37 H95 B8 Cl5 Co4 N6 Si4
Title of publication	Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 31. New Insights into Reaction Pathways of Carborane Ligand Systems: Synthetic, Structural, Spectroscopic, and Electrochemical Studies on Sandwich and Half-Sandwich Metallacarboranes of Iron, Cobalt, and Nickel
Authors of publication	Tomlinson, Susan; Zheng, Chong; Hosmane, Narayan S.; Yang, Jimin; Wang, Ying; Zhang, Hongming; Gray, Thomas G.; Demissie, Temesgen; Maguire, John A.; Baumann, Frank; Klein, Axel; Sarkar, Biprajit; Kaim, Wolfgang; Lipscomb, William N.
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	9
Pages of publication	2177 - 2187
a	11.562 ± 0.002 Å
b	15.644 ± 0.004 Å
c	17.925 ± 0.004 Å
α	89.85 ± 0.02°
β	76.21 ± 0.02°
γ	86.52 ± 0.02°
Cell volume	3142.7 ± 1.2 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.071
Weighted residual factors for all reflections included in the refinement	0.076
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	4060289
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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