Crystallography Open Database

Information card for entry 4334155

Preview

Structure parameters

Formula	C88 H166 B2 F8 Fe2 N4 O P8
Calculated formula	C88 H166 B2 F8 Fe2 N4 O P8
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	10.164 ± 0.002 Å
b	13.584 ± 0.003 Å
c	18.239 ± 0.004 Å
α	85.44 ± 0.03°
β	78.68 ± 0.03°
γ	83.89 ± 0.03°
Cell volume	2450.8 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0849
Residual factor for significantly intense reflections	0.0717
Weighted residual factors for significantly intense reflections	0.1985
Weighted residual factors for all reflections included in the refinement	0.2077
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4334155.cif
179444	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.	4334155.cif
99969	2014-02-04	cif/ Adding structures of 4334155 via cif-deposit CGI script.	4334155.cif