Crystallography Open Database

Information card for entry 4088072

Preview

Coordinates	4088072.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H38 B F20 N P2 Ru
Calculated formula	C70 H38 B F20 N P2 Ru
SMILES	[Ru]1234([PH](c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)([N]#Cc5ccccc5)[cH]5[cH]1[cH]2[c]13cccc[c]451.Fc1c(c(F)c(F)c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
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	13.0253 ± 0.0005 Å
b	13.4007 ± 0.0005 Å
c	18.4817 ± 0.0007 Å
α	100.063 ± 0.0005°
β	105.083 ± 0.0005°
γ	94.3895 ± 0.0005°
Cell volume	3041.5 ± 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	0.0443
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.092
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237245 (current)	2019-11-24	cif/ Adding structures of 4088071, 4088072 via cif-deposit CGI script.	4088072.cif