Crystallography Open Database

Information card for entry 7101295

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Coordinates	7101295.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H62 F12 N8 P2 Ru
Calculated formula	C74 H62 F12 N8 P2 Ru
Title of publication	Intermolecular Interactions of Extended Aromatic Ligands: The Synchrotron Molecular Structures of [Ru(bpy)2(N-HSB)].2PF6 and [Ru(bpy)2(N-1/2HSB)].2PF6
Authors of publication	Sylvia M. Draper; Christopher M. Fitchett; Daniel J. Gregg
Journal of publication	Chemical Communications
Year of publication	2006
Journal issue	29
a	11.6396 ± 0.0012 Å
b	16.9812 ± 0.0017 Å
c	18.4297 ± 0.0018 Å
α	87.348 ± 0.004°
β	73.266 ± 0.004°
γ	84.678 ± 0.004°
Cell volume	3472.7 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1426
Residual factor for significantly intense reflections	0.0881
Weighted residual factors for significantly intense reflections	0.2398
Weighted residual factors for all reflections included in the refinement	0.2759
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.6887 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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