Crystallography Open Database

Information card for entry 4112920

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Coordinates	4112920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H40 F12 N8 O P2 Ru
Calculated formula	C39 H40 F12 N8 O P2 Ru
Title of publication	2,9-Di-(2'-pyridyl)-1,10-phenanthroline: A Tetradentate Ligand for Ru(II)
Authors of publication	Ruifa Zong; Randolph P. Thummel
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	10800 - 10801
a	8.6475 ± 0.0005 Å
b	11.3708 ± 0.0007 Å
c	22.7506 ± 0.0014 Å
α	102.309 ± 0.001°
β	93.762 ± 0.001°
γ	96.21 ± 0.001°
Cell volume	2163.7 ± 0.2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0996
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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