Crystallography Open Database

Information card for entry 7011906

7011905 << 7011906 >> 7011907

Preview

Coordinates	7011906.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	02sw031
Formula	C31 H43 Cl N3 Rh Si
Calculated formula	C31 H43 Cl N3 Rh Si
SMILES	C1(N(C=CN1c1cccc(n1)[Si](C)(C)C)c1c(cccc1C(C)C)C(C)C)=[Rh]123([CH]4=[CH]1CC[CH]2=[CH]3CC4)Cl
Title of publication	C???H activation with N-heterocyclic carbene complexes of iridium and rhodium
Authors of publication	Danopoulos, Andreas A.; Winston, Scott; Hursthouse, Michael B.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	16
Pages of publication	3090
a	10.3072 ± 0.0004 Å
b	21.6566 ± 0.0008 Å
c	14.1863 ± 0.0006 Å
α	90°
β	98.883 ± 0.001°
γ	90°
Cell volume	3128.7 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.0951
Weighted residual factors for all reflections included in the refinement	0.1066
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
179823 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/19.	7011906.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011906.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011906.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7011906.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011906.cif