Information card for entry 7015122

Structure parameters

• Formula: C44 H36 Cl Cu2 Mo N16 O4
• Calculated formula: C44 H36 Cl Cu2 Mo N16 O4
• SMILES: [Mo](C#[N][Cu]123[n]4ccccc4C[N]3(Cc3[n]1cccc3)Cc1[n]2cccc1)(C#[N][Cu]123[n]4ccccc4C[N]3(Cc3[n]1cccc3)Cc1[n]2cccc1)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis, characterization, and photoresponsive properties of a series of Mo(IV)-Cu(II) complexes.
• Authors of publication: Zhang, Wen; Sun, Hao-Ling; Sato, Osamu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 2735 - 2743
• a: 18.132 ± 0.003 Å
• b: 17.736 ± 0.002 Å
• c: 15.286 ± 0.002 Å
• α: 90°
• β: 110.075 ± 0.002°
• γ: 90°
• Cell volume: 4617.1 ± 1.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No