Crystallography Open Database

Information card for entry 7012377

Preview

Coordinates	7012377.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Fe(OCPh3)(MesNPPh2CHPPh2NMes)]
Formula	C62 H58 Fe N2 O P2
Calculated formula	C62 H58 Fe N2 O P2
Title of publication	Tuning low-coordinate metal environments: high spin d5‒d7 complexes supported by bis(phosphinimino)methyl ligation
Authors of publication	Evans, David J.; Hill, Michael S.; Hitchcock, Peter B.
Journal of publication	Dalton Transactions
Year of publication	2003
Journal issue	4
Pages of publication	570
a	10.4976 ± 0.0002 Å
b	12.7168 ± 0.0002 Å
c	19.7847 ± 0.0004 Å
α	92.801 ± 0.001°
β	92.638 ± 0.001°
γ	107.006 ± 0.001°
Cell volume	2517.64 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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 all reflections	0.0897
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.1189
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7012377.cif
179827	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/23.	7012377.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012377.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012377.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012377.cif