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Information card for entry 1513207
Preview
Coordinates | 1513207.cif |
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Original paper (by DOI) | HTML |
Formula | C47 H45 N2 O6 Os P |
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Calculated formula | C47 H45 N2 O6 Os P |
SMILES | c1(ccccc1)[P]([Os]123([N](C[C@H]4O[C@@H]5OC(O[C@@H]5[C@H]4[NH]1Cc1ccccc1O3)(C)C)=Cc1ccccc1O2)C#[O])(c1ccccc1)c1ccccc1.c1ccccc1 |
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 | 13.595 ± 0.006 Å |
b | 16.977 ± 0.007 Å |
c | 19.141 ± 0.008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4418 ± 3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 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 | 0.078 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for significantly intense reflections | 0.0894 |
Weighted residual factors for all reflections included in the refinement | 0.1021 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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. |
1513207.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1513207.cif |
91896 | 2013-12-18 | cif/ Adding structures of 1513207 via cif-deposit CGI script. |
1513207.cif |
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Users of the data should acknowledge the original authors of the
structural data.