Crystallography Open Database

Information card for entry 1100797

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Coordinates	1100797.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H55 B8 N2 Ni Si4
Calculated formula	C21 H55 B8 N2 Ni 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	17.788 ± 0.005 Å
b	10.13 ± 0.002 Å
c	21.049 ± 0.005 Å
α	90°
β	112.33 ± 0.02°
γ	90°
Cell volume	3508.4 ± 1.5 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.089
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	4060291
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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