Crystallography Open Database

Information card for entry 4334151

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Structure parameters

Formula	C44.5 H84 N2 P4 Ru
Calculated formula	C44.5 H84 N2 P4 Ru
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	13.636 ± 0.0005 Å
b	14.2697 ± 0.0005 Å
c	23.6883 ± 0.0007 Å
α	90°
β	90.559 ± 0.001°
γ	90°
Cell volume	4609.1 ± 0.3 Å³
Cell temperature	152 ± 2 K
Ambient diffraction temperature	152 ± 2 K
Number of distinct elements	5
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	0.039
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0614
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
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.	4334151.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4334151.cif
99965	2014-02-04	cif/ Adding structures of 4334151 via cif-deposit CGI script.	4334151.cif