Crystallography Open Database

Information card for entry 4102596

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Coordinates	4102596.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H220 N12 O15 P8 Ru4
Calculated formula	C132 H220 N12 O15 P8 Ru4
Title of publication	N-H Activation of Amines and Ammonia by Ru via Metal-Ligand Cooperation
Authors of publication	Eugene Khaskin; Mark A. Iron; Linda J. W. Shimon; Jing Zhang; David Milstein
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	8542 - 8543
a	18.2908 ± 0.0002 Å
b	19.333 ± 0.0002 Å
c	22.0646 ± 0.0004 Å
α	90°
β	94.6278 ± 0.0004°
γ	90°
Cell volume	7776.96 ± 0.18 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
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	0.0742
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.145
Weighted residual factors for all reflections included in the refinement	0.1525
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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