Crystallography Open Database

Information card for entry 4087368

Preview

Coordinates	4087368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H25 Cl2 P Ru
Calculated formula	C27 H25 Cl2 P Ru
SMILES	[Ru]123456(Cl)(Cl)[P@@](c7c([c]84[cH]3[cH]2[c]1([cH]6[cH]58)c1ccccc1)cccc7)(c1ccccc1)C(C)C
Title of publication	Mild Photochemical Tethering of [RuCl2(η6-arene)P*] Complexes with P-Stereogenic 2-Biphenylylphosphines
Authors of publication	Navarro, Miquel; Vidal, Diego; Clavero, Pau; Grabulosa, Arnald; Muller, Guillermo
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	5
Pages of publication	973
a	11.7604 ± 0.0009 Å
b	13.4167 ± 0.001 Å
c	14.2493 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2248.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.021
Residual factor for significantly intense reflections	0.0194
Weighted residual factors for significantly intense reflections	0.0488
Weighted residual factors for all reflections included in the refinement	0.0495
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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
236756 (current)	2019-11-24	cif/ Adding structures of 4087363, 4087364, 4087365, 4087366, 4087367, 4087368, 4087369 via cif-deposit CGI script.	4087368.cif