Crystallography Open Database

Information card for entry 7038152

Preview

Coordinates	7038152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H60 F3 O3 P2 Rh S Si
Calculated formula	C44 H60 F3 O3 P2 Rh S Si
SMILES	[Rh]12345([P](c6c([Si]2(OS(=O)(=O)C(F)(F)F)c2ccccc2[P]1(C1CCCCC1)C1CCCCC1)cccc6)(C1CCCCC1)C1CCCCC1)[CH]1=[CH]3C2CC1[CH]4=[CH]52
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	11.5434 ± 0.0005 Å
b	17.6337 ± 0.0007 Å
c	20.4488 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4162.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0519
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.069
Weighted residual factors for all reflections included in the refinement	0.0724
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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.	7038152.cif
175208	2016-01-28	cif/ Adding structures of 7038150, 7038151, 7038152, 7038153 via cif-deposit CGI script.	7038152.cif