Crystallography Open Database

Information card for entry 4077656

Preview

Coordinates	4077656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H26 N2 Ru
Calculated formula	C25 H26 N2 Ru
SMILES	[Ru]12345678(N9[CH]2=[N]1[C]3(=[C]49c1ccccc1)c1ccccc1)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
Title of publication	η5-Imidazolato Complexes of Ruthenium
Authors of publication	Perera, Jayani R.; Heeg, Mary Jane; Winter, Charles H.
Journal of publication	Organometallics
Year of publication	2000
Journal volume	19
Journal issue	25
Pages of publication	5263
a	7.5054 ± 0.0006 Å
b	9.7217 ± 0.0007 Å
c	15.8937 ± 0.0011 Å
α	106.269 ± 0.002°
β	90.816 ± 0.001°
γ	108.59 ± 0.001°
Cell volume	1048.31 ± 0.13 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0706
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	0.941
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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