Crystallography Open Database

Information card for entry 4075316

Preview

Coordinates	4075316.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H60 F6 N6 O P Rh
Calculated formula	C34 H60 F6 N6 O P Rh
SMILES	[Rh](C#[O])(=C1N(C(=C(N1C(C)C)C)C)C(C)C)(=C1N(C(=C(N1C(C)C)C)C)C(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Cationic Tris N-Heterocyclic Carbene Rhodium Carbonyl Complexes: Molecular Structures and Solution NMR Studies
Authors of publication	Burling, Suzanne; Douglas, Susie; Mahon, Mary F.; Nama, Devendrababu; Pregosin, Paul S.; Whittlesey, Michael K.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	10
Pages of publication	2642
a	9.983 ± 0.0001 Å
b	12.714 ± 0.0001 Å
c	16.459 ± 0.0001 Å
α	80.367 ± 0.001°
β	76.2 ± 0.001°
γ	80.032 ± 0.001°
Cell volume	1980.69 ± 0.03 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0361
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0774
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
178642 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/53.	4075316.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075316.cif
49172	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075316 via cif-deposit CGI script.	4075316.cif