Crystallography Open Database

Information card for entry 4334152

Preview

Coordinates	4334152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H96 B Fe N2 P4
Calculated formula	C66 H96 B Fe N2 P4
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	12.7369 ± 0.0011 Å
b	14.099 ± 0.0013 Å
c	17.5151 ± 0.0017 Å
α	79.842 ± 0.005°
β	75.048 ± 0.005°
γ	83.82 ± 0.005°
Cell volume	2984.8 ± 0.5 Å³
Cell temperature	154 ± 2 K
Ambient diffraction temperature	154 ± 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	0.1491
Residual factor for significantly intense reflections	0.0696
Weighted residual factors for significantly intense reflections	0.176
Weighted residual factors for all reflections included in the refinement	0.2126
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4334152.cif
99966	2014-02-04	cif/ Adding structures of 4334152 via cif-deposit CGI script.	4334152.cif