Crystallography Open Database

Information card for entry 4085714

Preview

Coordinates	4085714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H44 Cl O P3 Ru Si
Calculated formula	C47 H44 Cl O P3 Ru Si
SMILES	[Ru](Cl)(/P=C/[Si](c1ccc(cc1)C)(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
Title of publication	Ruthenaphosphaalkenyls: Synthesis, Structures, and Their Conversion to η2-Phosphaalkene Complexes
Authors of publication	Greenacre, Victoria K.; Trathen, Nicola; Crossley, Ian R.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	11
Pages of publication	2533
a	19.6947 ± 0.0006 Å
b	12.0013 ± 0.0002 Å
c	19.7876 ± 0.0005 Å
α	90°
β	116.762 ± 0.004°
γ	90°
Cell volume	4176.1 ± 0.2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0416
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0965
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
154756 (current)	2015-09-06	cif/ Updating files of 4085712, 4085713, 4085714 Original log message: Adding full bibliography for 4085712--4085714.cif.	4085714.cif
136336	2015-05-13	cif/ Adding structures of 4085712, 4085713, 4085714 via cif-deposit CGI script.	4085714.cif