Crystallography Open Database

Information card for entry 7119092

7119091 << 7119092 >> 7119093

Preview

Coordinates	7119092.cif

Structure parameters

Formula	C11 H27 B9 N2
Calculated formula	C11 H27 B9 N2
SMILES	n1(cc[n+](CC[C]234[CH]56[BH]789[H][BH]%10%118[BH]83[BH]3%124[BH]426[BH]257[BH]59%10[BH]342[BH]%118%125)c1)C(C)(C)C
Title of publication	Tethered N-heterocyclic carbene-carboranes: unique ligands that exhibit unprecedented and versatile coordination modes at rhodium
Authors of publication	Jordan Holmes; Christopher M. Pask; Mark A. Fox; Charlotte E. Willans
Journal of publication	Chem.Commun.
Year of publication	2016
Journal volume	52
Pages of publication	6443
a	15.6541 ± 0.0015 Å
b	13.7503 ± 0.0014 Å
c	18.375 ± 0.0018 Å
α	90°
β	115.101 ± 0.005°
γ	90°
Cell volume	3581.7 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	4
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	0.0605
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1306
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
184125 (current)	2016-07-01	cif/ Adding structures of 7119091, 7119092, 7119093, 7119094, 7119095, 7119096, 7119097 via cif-deposit CGI script.	7119092.cif