Crystallography Open Database

Information card for entry 4066060

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Coordinates	4066060.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H44 Cl2 N9 Ru2
Calculated formula	C53 H44 Cl2 N9 Ru2
Title of publication	Diruthenium Phenylacetylide Complexes Bearingpara-/meta-Amino Phenyl Substituents
Authors of publication	Cummings, Steven P.; Cao, Zhi; Liskey, Carl W.; Geanes, Alex R.; Fanwick, Phillip E.; Hassell, Kerry M.; Ren, Tong
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	12
Pages of publication	2783
a	10.0003 ± 0.0005 Å
b	20.0034 ± 0.0008 Å
c	25.616 ± 0.0009 Å
α	74.969 ± 0.003°
β	81.982 ± 0.004°
γ	79.121 ± 0.004°
Cell volume	4837.8 ± 0.4 Å³
Cell temperature	150 ± 0.02 K
Ambient diffraction temperature	150 ± 0.02 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	0.066
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.179
Weighted residual factors for all reflections included in the refinement	0.185
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CU-Kα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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