Crystallography Open Database

Information card for entry 4334372

Preview

Coordinates	4334372.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H54 Fe N2 P4
Calculated formula	C22 H54 Fe N2 P4
SMILES	[FeH]123([P](CC)(CC)CN(C)C3[P]1(CC)CC)[P](CC)(CC)CN(C)C[P]2(CC)CC
Title of publication	Protonation of Ferrous Dinitrogen Complexes Containing a Diphosphine Ligand with a Pendent Amine
Authors of publication	Zachariah M. Heiden; Shentan Chen; Michael T. Mock; William G. Dougherty; W. Scott Kassel; Roger Rousseau; R. Morris Bullock
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4026 - 4039
a	10.2019 ± 0.0012 Å
b	16.764 ± 0.002 Å
c	16.945 ± 0.0019 Å
α	88.39 ± 0.004°
β	89.899 ± 0.004°
γ	85.777 ± 0.004°
Cell volume	2889 ± 0.6 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0677
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0766
Weighted residual factors for all reflections included in the refinement	0.0867
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
179446 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/43.	4334372.cif
158274	2015-09-24	cif/4 Fixing wrong Z values and formulae	4334372.cif
100190	2014-02-04	cif/ Adding structures of 4334372 via cif-deposit CGI script.	4334372.cif