Crystallography Open Database

Information card for entry 8103371

Preview

Coordinates	8103371.cif

Structure parameters

Formula	C43 H42 N3 O2.5 Ru
Calculated formula	C43 H39 N3 O2.5 Ru
Title of publication	Crystal structure of [(E)-2-(2-((2,6-dimethylphenylimino)-(phenyl)methyl)-h5-cyclopentadienylamino)-3H-phenoxazin- 3-one]-(h5-pentamethylcyclopentadienyl)ruthenium(II) — ethanol (1:0.5), Ru(C10H15)(C32H24N3O2) · 0.5C2H6O
Authors of publication	Barbara Enk; Holger Kopacka; Benno Bildstein; Klaus Wurst
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2012
Journal volume	227
Journal issue	2
Pages of publication	217
a	7.9365 ± 0.0002 Å
b	10.1819 ± 0.0003 Å
c	23.2824 ± 0.0005 Å
α	86.036 ± 0.002°
β	88.575 ± 0.002°
γ	83.484 ± 0.002°
Cell volume	1864.52 ± 0.08 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0417
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8103371.cif
176466	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103371.cif
62132	2012-07-07	cif/ Adding structures of 8103371 via cif-deposit CGI script.	8103371.cif