Information card for entry 4062120

Structure parameters

• Formula: C17 H8 Cl Ir N2 O5 W
• Calculated formula: C17 H8 Cl Ir N2 O5 W
• SMILES: [Ir]1([W]3([Cl]1)([n]1c4c(ccc1)ccc1ccc[n]3c41)(C#[O])(C#[O])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: 17.337 ± 0.004 Å
• b: 17.05 ± 0.009 Å
• c: 6.905 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2041.1 ± 2.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1203
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No