Crystallography Open Database

Information card for entry 7012375

Preview

Coordinates	7012375.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Fe{N(SiMe3)2}{MesNPPh2CHPPh2NMes}]
Formula	C49 H61 Fe N3 P2 Si2
Calculated formula	C49 H61 Fe N3 P2 Si2
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	11.9774 ± 0.0003 Å
b	18.4685 ± 0.0004 Å
c	21.594 ± 0.0007 Å
α	90°
β	94.42 ± 0.001°
γ	90°
Cell volume	4762.5 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0743
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.0998
Weighted residual factors for all reflections included in the refinement	0.1115
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
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.	7012375.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.	7012375.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012375.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012375.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012375.cif