Crystallography Open Database

Information card for entry 7002535

Preview

Coordinates	7002535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H31 Cl N3 Rh
Calculated formula	C26 H31 Cl N3 Rh
SMILES	[Rh]123(Cl)([CH]4CC[CH]1=[CH]2CC[CH]3=4)=C1N(Cc2cccnc2)C=CN1c1c(cc(cc1C)C)C
Title of publication	Supramolecular NHC ligands: on the influence of ZnII-templates on the activity of RhI(cod) complexes in ‘carbene polymerization’
Authors of publication	Rubio, Miguel; Jellema, Erica; Siegler, Maxime A.; Spek, Anthony L.; Reek, Joost N. H.; de Bruin, Bas
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	41
Pages of publication	8970 - 8976
a	11.1897 ± 0.0003 Å
b	17.3083 ± 0.0006 Å
c	13.4145 ± 0.0004 Å
α	90°
β	115.79 ± 0.002°
γ	90°
Cell volume	2339.27 ± 0.13 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	0.0263
Residual factor for significantly intense reflections	0.0197
Weighted residual factors for significantly intense reflections	0.0473
Weighted residual factors for all reflections included in the refinement	0.0504
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
179729 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/25.	7002535.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002535.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002535.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002535.cif