Crystallography Open Database

Information card for entry 4073024

Preview

Coordinates	4073024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H37 I2 N O2 P Rh
Calculated formula	C33 H37 I2 N O2 P Rh
SMILES	[Rh]1([P](c2ccccc2C=[N]1c1ccccc1OC)(c1ccccc1)c1ccccc1)(I)(I)C(=O)C.CCCCC
Title of publication	Reactivity of Rhodium(I) Iminophosphine Carbonyl Complexes with Methyl Iodide
Authors of publication	Best, Jonathan; Wilson, John M.; Adams, Harry; Gonsalvi, Luca; Peruzzini, Maurizio; Haynes, Anthony
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	8
Pages of publication	1960
a	13.4037 ± 0.0008 Å
b	16.9491 ± 0.0011 Å
c	14.0277 ± 0.0009 Å
α	90°
β	90.975 ± 0.003°
γ	90°
Cell volume	3186.4 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.1425
Residual factor for significantly intense reflections	0.0638
Weighted residual factors for significantly intense reflections	0.1407
Weighted residual factors for all reflections included in the refinement	0.1706
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
178619 (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 4/07/30.	4073024.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073024.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073024.cif
46122	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073024 via cif-deposit CGI script.	4073024.cif