Crystallography Open Database

Information card for entry 4060290

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Coordinates	4060290.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H38 B4 Co N2 Si2
Calculated formula	C14 H38 B4 Co N2 Si2
SMILES	[Co]12345([C]67([Si](C)(C)C)[BH]81[C]12([Si](C)(C)C)[BH]23[BH]46[BH]7812)[N](CC[N]5(C)C)(C)C
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	8.329 ± 0.002 Å
b	19.648 ± 0.006 Å
c	14.57 ± 0.004 Å
α	90°
β	94.38 ± 0.02°
γ	90°
Cell volume	2377.4 ± 1.1 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.065
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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