Crystallography Open Database

Information card for entry 4348619

Preview

Coordinates	4348619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H22 B Ir N2
Calculated formula	C14 H22 B Ir N2
SMILES	[CH]12=[CH]3CC[CH]4=[CH](CC1)[Ir]15234[H][BH]([n]2c(cccc2)N1C)[H]5
Title of publication	2-(Methylamido)pyridine-Borane: A Tripod κ(3)-N,H,H Ligand in Trigonal Bipyramidal Rhodium(I) and Iridium(I) Complexes with an Asymmetric Coordination of Its BH3 Group.
Authors of publication	Brugos, Javier; Cabeza, Javier A.; García-Álvarez, Pablo; Kennedy, Alan R.; Pérez-Carreño, Enrique; Van der Maelen, Juan F.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	17
Pages of publication	8905 - 8912
a	12.0435 ± 0.0003 Å
b	7.333 ± 0.0001 Å
c	17.5013 ± 0.0005 Å
α	90°
β	120.175 ± 0.004°
γ	90°
Cell volume	1336.19 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0253
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0516
Weighted residual factors for all reflections included in the refinement	0.054
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
233196 (current)	2019-11-23	cif/ Adding structures of 4348618, 4348619 via cif-deposit CGI script.	4348619.cif