Information card for entry 4062121

Structure parameters

• Formula: C18 H8 Cl2 N2 O6 Os W
• Calculated formula: C18 H8 Cl2 N2 O6 Os W
• SMILES: [Os]1([W]2([Cl]1)([n]1c3c(ccc1)ccc1ccc[n]2c31)(C#[O])(C#[O])C#[O])(Cl)(C#[O])(C#[O])C#[O]
• Title of publication: Unexpected Formation of a Weak Metal-Metal Bond: Synthesis, Electronic Properties, and Second-Order NLO Responses of Push-Pull Late-Early Heteronuclear Bimetallic Complexes with W(CO)~3~(1,10-phenanthroline) Acting as a Donor Ligand
• Authors of publication: Pizzotti, Maddalena; Ugo, Renato; Dragonetti, Claudia; Annoni, Elisabetta; Demartin, Francesco; Mussini, Patrizia
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Journal issue: 20
• Pages of publication: 4001 - 4011
• a: 7.3963 ± 0.0007 Å
• b: 11.3377 ± 0.0011 Å
• c: 12.3266 ± 0.0012 Å
• α: 83.58 ± 0.01°
• β: 88.5 ± 0.01°
• γ: 82 ± 0.01°
• Cell volume: 1017.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0747
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No