Crystallography Open Database

Information card for entry 4083274

Preview

Coordinates	4083274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H23 B K P
Calculated formula	C13 H23 B K P
SMILES	[K+].C1=[B](C=CC=C1)P(C(C)(C)C)C(C)(C)C
Title of publication	Coordination of a Di-tert-butylphosphidoboratabenzene Ligand to Electronically Unsaturated Group 10 Transition Metals
Authors of publication	Macha, Bret B.; Boudreau, Josée; Maron, Laurent; Maris, Thierry; Fontaine, Frédéric-Georges
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	17
Pages of publication	6428
a	23.8882 ± 0.0003 Å
b	23.8882 ± 0.0003 Å
c	14.1077 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	6971.94 ± 0.19 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1081
Weighted residual factors for all reflections included in the refinement	0.1088
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178721 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/32.	4083274.cif
113691	2014-05-13	cif/ Adding structures of 4083274 via cif-deposit CGI script.	4083274.cif