Crystallography Open Database

Information card for entry 4334154

Preview

Coordinates	4334154.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H80 Fe P4
Calculated formula	C42 H80 Fe P4
SMILES	[FeH2]123[P](CC[P]1(C1CCCCC1)C1CCCCC1)(CC[P]2(C1CCCCC1)C1CCCCC1)CC[P]3(C1CCCCC1)C1CCCCC1
Title of publication	Low Oxidation State Iron(0), Iron(I), and Ruthenium(0) Dinitrogen Complexes with a Very Bulky Neutral Phosphine Ligand
Authors of publication	Ryan Gilbert-Wilson; Leslie D. Field; Stephen B. Colbran; Mohan M. Bhadbhade
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	3043 - 3053
a	13.7011 ± 0.0009 Å
b	16.1969 ± 0.0011 Å
c	19.7521 ± 0.0013 Å
α	80.32 ± 0.003°
β	83.021 ± 0.003°
γ	78.371 ± 0.003°
Cell volume	4214.7 ± 0.5 Å³
Cell temperature	155 ± 2 K
Ambient diffraction temperature	155 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0789
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
179444 (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 4/33/41.	4334154.cif
99968	2014-02-04	cif/ Adding structures of 4334154 via cif-deposit CGI script.	4334154.cif