Crystallography Open Database

Information card for entry 1513206

Preview

Coordinates	1513206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H45 N2 O9 P Ru
Calculated formula	C41 H45 N2 O9 P Ru
SMILES	[Ru]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)([N](C[C@H]4O[C@@H]5OC(O[C@@H]5[C@H]4[NH]1Cc1ccccc1O3)(C)C)=Cc1ccccc1O2)C#[O].O.O.O
Title of publication	Ruthenium and osmium complexes of novel carbohydrate derived salen ligands: Synthesis, characterization and in situ ligand reduction
Authors of publication	Soumik Mandal; Santanu Mandal; Dipravath K. Seth; Balaram Mukhopadhyay; Parna Gupta
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	398
Pages of publication	83 - 88
a	12.091 ± 0.006 Å
b	12.663 ± 0.006 Å
c	24.743 ± 0.012 Å
α	90°
β	90°
γ	90°
Cell volume	3788 ± 3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
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	0.1499
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.0755
Weighted residual factors for all reflections included in the refinement	0.0944
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513206.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1513206.cif
91895	2013-12-18	cif/ Adding structures of 1513206 via cif-deposit CGI script.	1513206.cif