Crystallography Open Database

Information card for entry 7039453

Preview

Coordinates	7039453.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H61 P3 Ru Si
Calculated formula	C40 H61 P3 Ru Si
SMILES	[Ru]12345([P@](c6c([Si@]2(C)c2c([P]1(C1CCCCC1)C1CCCCC1)cccc2)cccc6)(C1C[CH]3=[CH]4C5C1)C1CCCCC1)[P](C)(C)C.[Ru]12345([P@@](c6c([Si@@]2(C)c2c([P]1(C1CCCCC1)C1CCCCC1)cccc2)cccc6)(C1C[CH]3=[CH]4C5C1)C1CCCCC1)[P](C)(C)C
Title of publication	Synthesis and characterization of five-coordinate, 16-electron Ru(II) complexes supported by tridentate bis(phosphino)silyl ligation.
Authors of publication	MacInnis, Morgan C.; Ruddy, Adam J.; McDonald, Robert; Ferguson, Michael J.; Turculet, Laura
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	40
Pages of publication	15850 - 15858
a	10.5218 ± 0.0005 Å
b	12.5407 ± 0.0006 Å
c	15.2414 ± 0.0007 Å
α	87.6054 ± 0.0005°
β	70.3495 ± 0.0005°
γ	89.9268 ± 0.0005°
Cell volume	1892.16 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0243
Residual factor for significantly intense reflections	0.0225
Weighted residual factors for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.0647
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
188207 (current)	2016-11-08	cif/ Updating files of 7039453, 7039454, 7039455, 7039456, 7039457 Original log message: Adding full bibliography for 7039453--7039457.cif.	7039453.cif
183382	2016-06-11	cif/ Adding structures of 7039453, 7039454, 7039455, 7039456, 7039457 via cif-deposit CGI script.	7039453.cif