Crystallography Open Database

Information card for entry 4064709

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Coordinates	4064709.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	cis-beta-[RuCl(OH2)(PNNP)(PNNP)]_2CH2Cl2
Formula	C46 H44 Cl5 F6 N2 O P3 Ru
Calculated formula	C46 H44 Cl5 F6 N2 O P3 Ru
Title of publication	Aqua and Diethyl Ether PNNP Complexes of Ruthenium(II): Structure and Solution Behavior
Authors of publication	Schotes, Christoph; Ranocchiari, Marco; Mezzetti, Antonio
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	13
Pages of publication	3596
a	11.6344 ± 0.0011 Å
b	12.6473 ± 0.0012 Å
c	17.2954 ± 0.0017 Å
α	71.278 ± 0.002°
β	81.209 ± 0.002°
γ	82.365 ± 0.002°
Cell volume	2372.4 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0818
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1401
Weighted residual factors for all reflections included in the refinement	0.1578
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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