Information card for entry 2236305

Structure parameters

• Chemical name: Bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(triphenylphosphane- κ<i>P</i>)copper(I)] nonadecaoxidohexamolybdate(VI)
• Formula: C96 H76 Cu2 Mo6 N4 O19 P4
• Calculated formula: C96 H76 Cu2 Mo6 N4 O19 P4
• SMILES: c1ccc2c3[n]1[Cu]([n]1c3c(cc2)ccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.O1[Mo]234(=O)O[Mo]567(O[Mo]891(O[Mo]1%10(O2)([O]2358[Mo](O[Mo]2(O4)(O6)(O%10)=O)(=O)(O1)(O7)O9)=O)=O)=O.c1ccc2c3[n]1[Cu]([n]1c3c(cc2)ccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(triphenylphosphane-κ<i>P</i>)copper(I)] nonadecaoxidohexamolybdate(VI)
• Authors of publication: Gschwind, Fabienne; Jansen, Martin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: m1206 - m1207
• a: 11.287 ± 0.002 Å
• b: 13.572 ± 0.003 Å
• c: 16.307 ± 0.003 Å
• α: 109.03 ± 0.03°
• β: 102.98 ± 0.03°
• γ: 93.93 ± 0.03°
• Cell volume: 2273.7 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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 all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes