Crystallography Open Database

Information card for entry 4084874

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Coordinates	4084874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H52 P3 Ru
Calculated formula	C57 H52 P3 Ru
Title of publication	Solid-State Structure and Solution Reactivity of [(Ph3P)4Ru(H)2] and Related Ru(II) Complexes Used in Catalysis: A Reinvestigation
Authors of publication	Samouei, Hamidreza; Miloserdov, Fedor M.; Escudero-Adán, Eduardo C.; Grushin, Vladimir V.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	24
Pages of publication	7279
a	9.3207 ± 0.0004 Å
b	12.4575 ± 0.0005 Å
c	20.3145 ± 0.0009 Å
α	82.852 ± 0.001°
β	80.399 ± 0.001°
γ	74.702 ± 0.002°
Cell volume	2235.29 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0662
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.0952
Weighted residual factors for all reflections included in the refinement	0.1083
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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