Crystallography Open Database

Information card for entry 4310749

Preview

Coordinates	4310749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H55 F12 N6 P2 Rh
Calculated formula	C34 H55 F12 N6 P2 Rh
SMILES	[Rh]1234([CH]5=[CH]2CC[CH]4=[CH]1CC5)=C1N(CC(CN2C=CN(CCCC)C=32)(C)C[n+]2ccn(CCCC)c2)C=CN1CCCC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Carbene Complexes of Rhodium and Iridium from Tripodal N-Heterocyclic Carbene Ligands: Synthesis and Catalytic Properties
Authors of publication	Elena Mas-Marzá; Macarena Poyatos; Mercedes Sanaú; Eduardo Peris
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	2213 - 2219
a	33.544 ± 0.007 Å
b	10.027 ± 0.002 Å
c	28.873 ± 0.006 Å
α	90°
β	120.2 ± 0.03°
γ	90°
Cell volume	8393 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1946
Residual factor for significantly intense reflections	0.0867
Weighted residual factors for significantly intense reflections	0.2248
Weighted residual factors for all reflections included in the refinement	0.323
Goodness-of-fit parameter for all reflections included in the refinement	0.952
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
179146 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/07.	4310749.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310749.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310749.cif
2238	2010-11-09	../uploads/cif-deposit/cod/cif Adding structures of 4310749 via cif-deposit CGI script.	4310749.cif