Crystallography Open Database

Information card for entry 4510836

Preview

Coordinates	4510836.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H38 P Rh
Calculated formula	C35 H38 P Rh
SMILES	[Rh]123(c4c(cc(cc4C)C)C)([CH]4=[CH]1CC[CH]2=[CH]3CC4)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Rh-Mediated Carbene Polymerization: from Multistep Catalyst Activation to Alcohol-Mediated Chain-Transfer
Authors of publication	Walters, Annemarie J. C.; Jellema, Erica; Finger, Markus; Aarnoutse, Petra; Smits, Jan M. M.; Reek, Joost N. H.; de Bruin, Bas
Journal of publication	ACS Catalysis
Year of publication	2012
Journal volume	2
Journal issue	2
Pages of publication	246
a	32.151 ± 0.004 Å
b	9.3724 ± 0.001 Å
c	19.869 ± 0.003 Å
α	90°
β	107.394 ± 0.009°
γ	90°
Cell volume	5713.4 ± 1.3 Å³
Cell temperature	208 ± 2 K
Ambient diffraction temperature	208 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0502
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for all reflections	0.094
Weighted residual factors for significantly intense reflections	0.0905
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections	1.247
Goodness-of-fit parameter for all reflections included in the refinement	1.247
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
179655 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/08.	4510836.cif
113553	2014-05-13	cif/ Adding structures of 4510836 via cif-deposit CGI script.	4510836.cif