Crystallography Open Database

Information card for entry 4103373

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Coordinates	4103373.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31.5 H47 Cl N2 O P2 Ru
Calculated formula	C31.5 H47 Cl N2 O P2 Ru
Title of publication	"Long-Range" Metal-Ligand Cooperation in H2 Activation and Ammonia-Promoted Hydride Transfer with a Ruthenium-Acridine Pincer Complex
Authors of publication	Chidambaram Gunanathan; Boopathy Gnanaprakasam; Mark A. Iron; Linda J. W. Shimon; David Milstein
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	14763 - 14765
a	11.795 ± 0.0004 Å
b	12.435 ± 0.0005 Å
c	21.528 ± 0.0012 Å
α	90°
β	97.135 ± 0.002°
γ	90°
Cell volume	3133.1 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0693
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1021
Weighted residual factors for all reflections included in the refinement	0.1101
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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