Crystallography Open Database

Information card for entry 4105136

Preview

Coordinates	4105136.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H62 N P2 Rh Si
Calculated formula	C43 H62 N P2 Rh Si
SMILES	[RhH]12([Si](C)(c3c([P]1(C1CCCCC1)C1CCCCC1)cccc3)c1c([P]2(C2CCCCC2)C2CCCCC2)cccc1)Nc1ccccc1
Title of publication	Rhodium and Iridium Amido Complexes Supported by Silyl Pincer Ligation: Ammonia N-H Bond Activation by a [PSiP]Ir Complex
Authors of publication	Erin Morgan; Darren F. MacLean; Robert McDonald; Laura Turculet
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	14234 - 14236
a	11.7712 ± 0.0019 Å
b	17.415 ± 0.003 Å
c	20.937 ± 0.003 Å
α	90°
β	105.739 ± 0.002°
γ	90°
Cell volume	4131.1 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.111
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1021
Weighted residual factors for all reflections included in the refinement	0.1241
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
178797 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/51.	4105136.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105136.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105136.cif
30328	2011-11-11	../uploads/cif-deposit/cod/cif Adding structures of 4105136 via cif-deposit CGI script.	4105136.cif