Crystallography Open Database

Information card for entry 7038153

Preview

Coordinates	7038153.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H56 F6 O6 P4 Rh2 S2 Si2
Calculated formula	C74 H56 F6 O6 P4 Rh2 S2 Si2
SMILES	c12ccccc1[P](c1ccccc1)([Rh]13(OS(=O)(=O)C(F)(F)F)[Si]2(c2ccccc2[P]1(c1ccccc1)c1ccccc1)[Rh]12(OS(=O)(=O)C(F)(F)F)[P](c5c(cccc5)[Si]32c2ccccc2[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	Examining the role of Rh/Si cooperation in alkene hydrogenation by a pincer-type [P2Si]Rh complex.
Authors of publication	Whited, Matthew T.; Deetz, Alexander M.; Donnell, Theodore M.; Janzen, Daron E.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	24
Pages of publication	9758 - 9761
a	13.2957 ± 0.0014 Å
b	13.9009 ± 0.0015 Å
c	20.145 ± 0.002 Å
α	90°
β	97.111 ± 0.007°
γ	90°
Cell volume	3694.6 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.0954
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
185376 (current)	2016-08-07	cif/ Updating files of 7038150, 7038151, 7038152, 7038153 Original log message: Adding full bibliography for 7038150--7038153.cif.	7038153.cif
175208	2016-01-28	cif/ Adding structures of 7038150, 7038151, 7038152, 7038153 via cif-deposit CGI script.	7038153.cif