Crystallography Open Database

Information card for entry 7005349

Preview

Coordinates	7005349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H50 I2 N5 O6 Rh
Calculated formula	C53 H50 I2 N5 O6 Rh
SMILES	I[Rh]12(I)([O]=C(O1)C)=C1N(C=CN1CN1C=2N(C=C1)Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1)Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1.N#CC
Title of publication	Rhodium(III) complexes with a bidentate N-heterocyclic carbene ligand bearing flexible dendritic frameworks.
Authors of publication	Fujihara, Tetsuaki; Obora, Yasushi; Tokunaga, Makoto; Tsuji, Yasushi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	16
Pages of publication	1567 - 1569
a	9.338 ± 0.004 Å
b	13.972 ± 0.006 Å
c	20.243 ± 0.008 Å
α	72.083 ± 0.012°
β	85.573 ± 0.014°
γ	78.379 ± 0.009°
Cell volume	2461.2 ± 1.8 Å³
Cell temperature	113.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for all reflections included in the refinement	0.1017
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7005349.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005349.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005349.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005349.cif