Crystallography Open Database

Information card for entry 4085712

Preview

Coordinates	4085712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H60 Cl O3 P3 Ru Si
Calculated formula	C49 H60 Cl O3 P3 Ru Si
SMILES	[Ru](Cl)(/P=C/[Si](C)(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O].O(CC)CC.O(CC)CC
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	9.7961 ± 0.0005 Å
b	34.258 ± 0.0017 Å
c	14.8457 ± 0.0007 Å
α	90°
β	95.201 ± 0.005°
γ	90°
Cell volume	4961.6 ± 0.4 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	7
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	0.1138
Residual factor for significantly intense reflections	0.0876
Weighted residual factors for significantly intense reflections	0.2484
Weighted residual factors for all reflections included in the refinement	0.2864
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	1.5418 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.	4085712.cif
136336	2015-05-13	cif/ Adding structures of 4085712, 4085713, 4085714 via cif-deposit CGI script.	4085712.cif