Crystallography Open Database

Information card for entry 7119096

7119095 << 7119096 >> 7119097

Preview

Coordinates	7119096.cif

Structure parameters

Formula	C19 H38 B10 Cl N2 Rh
Calculated formula	C19 H38 B10 Cl N2 Rh
SMILES	[Rh]123(Cl)([CH]4=[CH]3CC[CH]1=[CH]2CC4)=C1N(C=CN1C(C)(C)C)CC[C]1234[CH]567[BH]89%10[BH]%11%12%13[BH]%14%158[BH]8%16%17[BH]59%14[BH]168[BH]14%17[BH]3%12([BH]27%10%11)[BH]%13%15%161
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	12.3894 ± 0.0004 Å
b	15.3629 ± 0.0005 Å
c	13.6908 ± 0.0004 Å
α	90°
β	93.441 ± 0.003°
γ	90°
Cell volume	2601.17 ± 0.14 Å³
Cell temperature	290.87 ± 0.1 K
Ambient diffraction temperature	290.87 ± 0.1 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	0.0811
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1173
Weighted residual factors for all reflections included in the refinement	0.1305
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
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.	7119096.cif