Crystallography Open Database

Information card for entry 4130481

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Coordinates	4130481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H46 B N5 P Ru
Calculated formula	C49 H46 B N5 P Ru
Title of publication	Modular Attachment of Appended Boron Lewis Acids to a Ruthenium Pincer Catalyst: Metal-Ligand Cooperativity Enables Selective Alkyne Hydrogenation.
Authors of publication	Tseng, Kuei-Nin T; Kampf, Jeff W.; Szymczak, Nathaniel K.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	33
Pages of publication	10378 - 10381
a	18.234 ± 0.0013 Å
b	12.0654 ± 0.0002 Å
c	18.1135 ± 0.0013 Å
α	90°
β	90.69 ± 0.006°
γ	90°
Cell volume	3984.7 ± 0.4 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.1036
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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