Crystallography Open Database

Information card for entry 7118074

Preview

Coordinates	7118074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H37 B10 N
Calculated formula	C19 H37 B10 N
SMILES	N(=C([C]1234[CH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121)\C(C)(C)C)\c1c(cccc1C(C)C)C(C)C
Title of publication	The synthesis and structure of a carbene-stabilized iminocarboranyl-boron(I) compound
Authors of publication	Hao Wang; Jiji Zhang; Zhenyang Lin; Zuowei Xie
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	16817
a	10.5147 ± 0.0013 Å
b	20.272 ± 0.002 Å
c	12.1906 ± 0.0014 Å
α	90°
β	108.022 ± 0.002°
γ	90°
Cell volume	2471 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.125
Residual factor for significantly intense reflections	0.0841
Weighted residual factors for significantly intense reflections	0.2165
Weighted residual factors for all reflections included in the refinement	0.2608
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7118074.cif
170679	2015-12-03	cif/ Adding structures of 7118074, 7118075, 7118076, 7118077 via cif-deposit CGI script.	7118074.cif