Crystallography Open Database

Information card for entry 4088071

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Coordinates	4088071.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C91 H57 B F20 N P2 Ru
Calculated formula	C91 H57 B F20 N P2 Ru
Title of publication	Inner- and Outer-Sphere Roles of Ruthenium Phosphido Complexes in the Hydrophosphination of Alkenes
Authors of publication	Belli, Roman G.; Burton, Krista M. E.; Rufh, Stephanie A.; McDonald, Robert; Rosenberg, Lisa
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	23
Pages of publication	5637
a	16.04 ± 0.0006 Å
b	16.8124 ± 0.0006 Å
c	16.8412 ± 0.0006 Å
α	104.695 ± 0.0004°
β	107.835 ± 0.0004°
γ	108.421 ± 0.0004°
Cell volume	3780.4 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0486
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0899
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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