Crystallography Open Database

Information card for entry 7026241

Preview

Coordinates	7026241.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H41 F6 I N4 O3 P Rh
Calculated formula	C25 H41 F6 I N4 O3 P Rh
SMILES	[Rh]123(I)(=C4N(C=CN4c4c[n+](cc(c4)C(=O)N(C(C)C)C(C)C)C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4.[P](F)(F)(F)(F)(F)[F-].O.O
Title of publication	Hydride ion-carrier ability in Rh(I) complexes of a nicotinamide-functionalised N-heterocyclic carbene ligand.
Authors of publication	McSkimming, Alex; Bhadbhade, Mohan; Colbran, Stephen B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	44
Pages of publication	10581 - 10584
a	8.0334 ± 0.0003 Å
b	30.846 ± 0.001 Å
c	13.2016 ± 0.0005 Å
α	90°
β	104.854 ± 0.002°
γ	90°
Cell volume	3162 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
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	0.0491
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.1
Weighted residual factors for all reflections included in the refinement	0.1135
Goodness-of-fit parameter for all reflections included in the refinement	0.804
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
179968 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/62.	7026241.cif
93443	2014-01-13	cif/ Adding structures of 7026241 via cif-deposit CGI script.	7026241.cif