Information card for entry 7007235

Structure parameters

• Formula: C30 H38 Mo2 N4 O6 Pt
• Calculated formula: C30 H38 Mo2 N4 O6 Pt
• SMILES: [Pt](C#[N]C(C)(C)C)([Mo]1234(C#[O])(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[c]45N(C)C)([Mo]1234(C#[O])(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[c]45N(C)C)C#[N]C(C)(C)C
• Title of publication: Organometallic building blocks with amino-substituted cyclopentadienyl and boratabenzene ligands for the synthesis of heterometallic complexes and clusters.
• Authors of publication: Auvray, Nicolas; Basu Baul, Tushar S.; Braunstein, Pierre; Croizat, Pierre; Englert, Ulli; Herberich, Gerhard E.; Welter, Richard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 24
• Pages of publication: 2950 - 2958
• a: 8.53 ± 0.005 Å
• b: 17.111 ± 0.005 Å
• c: 12.321 ± 0.005 Å
• α: 90°
• β: 108.3 ± 0.05°
• γ: 90°
• Cell volume: 1707.4 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0588
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No