Crystallography Open Database

Information card for entry 4088130

Preview

Coordinates	4088130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H36 Cl3 N3 O2 Ru S
Calculated formula	C32 H36 Cl3 N3 O2 Ru S
SMILES	[Ru]123456(Cl)([N](=Nc7ccccc7)c7c(N1S(=O)(=O)c1ccc(cc1)C)cccc7)[c]1([c]2([c]3([c]4([c]5([c]61C)C)C)C)C)C.ClCCl
Title of publication	Photoswitchable Arene Ruthenium Complexes Containing o-Sulfonamide Azobenzene Ligands
Authors of publication	Deo, Claire; Bogliotti, Nicolas; Métivier, Rémi; Retailleau, Pascal; Xie, Juan
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	24
Pages of publication	5775
a	7.973 ± 0.004 Å
b	22.52 ± 0.011 Å
c	9.158 ± 0.004 Å
α	90°
β	103.451 ± 0.008°
γ	90°
Cell volume	1599.2 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1716
Residual factor for significantly intense reflections	0.0808
Weighted residual factors for significantly intense reflections	0.1212
Weighted residual factors for all reflections included in the refinement	0.1599
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237300 (current)	2019-11-24	cif/ Adding structures of 4088127, 4088128, 4088129, 4088130 via cif-deposit CGI script.	4088130.cif