Crystallography Open Database

Information card for entry 4334153

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Structure parameters

Formula	C44.5 H83 Cl P4 Ru
Calculated formula	C44.5 H83 Cl 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	13.905 ± 0.002 Å
b	26.16 ± 0.005 Å
c	14.691 ± 0.003 Å
α	90°
β	114.028 ± 0.008°
γ	90°
Cell volume	4880.9 ± 1.6 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1778
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.1636
Weighted residual factors for all reflections included in the refinement	0.2152
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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.	4334153.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.	4334153.cif
99967	2014-02-04	cif/ Adding structures of 4334153 via cif-deposit CGI script.	4334153.cif