Crystallography Open Database

Information card for entry 4085632

Preview

Coordinates	4085632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H32 Cl2 N O4 P Ru
Calculated formula	C33 H32 Cl2 N O4 P Ru
SMILES	[Ru]12345(Cl)(Cl)([P](c6ccccc6)(c6ccccc6)c6ccc(C(=O)ON7C(=O)CCC7=O)cc6)[cH]6[cH]1[c]5([cH]4[cH]2[c]36C)C(C)C
Title of publication	Ruthenium and Osmium Complexes of Phosphine-Porphyrin Derivatives as Potential Bimetallic Theranostics: Photophysical Studies
Authors of publication	Harvey, Pierre D.; Tasan, Semra; Gros, Claude P.; Devillers, Charles H.; Richard, Philippe; Gendre, Pierre Le; Bodio, Ewen
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	7
Pages of publication	1218
a	24.5726 ± 0.0009 Å
b	8.0142 ± 0.0003 Å
c	16.8295 ± 0.0006 Å
α	90°
β	115.208 ± 0.002°
γ	90°
Cell volume	2998.6 ± 0.2 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.0896
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation probe	x-ray
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
178745 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/56.	4085632.cif
138295	2015-06-05	cif/ Updating files of 4085632 Original log message: Adding full bibliography for 4085632.cif.	4085632.cif
134221	2015-03-21	cif/ Adding structures of 4085632 via cif-deposit CGI script.	4085632.cif