Information card for entry 7007236

Structure parameters

• Formula: C42 H46 Mo2 N4 O8 Pt
• Calculated formula: C42 H46 Mo2 N4 O8 Pt
• SMILES: [N]([Pt]12(C(=O)[Mo]34561(C#[O])(C#[O])[cH]1[c]6([cH]5[cH]4[cH]31)N(C)C)(C(=O)[Mo]13452(C#[O])(C#[O])[cH]2[c]5([cH]4[cH]3[cH]12)N(C)C)[N]#Cc1ccccc1)#Cc1ccccc1.O1CCCC1.O1CCCC1
• 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: 8.518 ± 0.005 Å
• b: 11.117 ± 0.005 Å
• c: 12.785 ± 0.005 Å
• α: 94.91 ± 0.05°
• β: 109.36 ± 0.05°
• γ: 107.2 ± 0.05°
• Cell volume: 1068.2 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1475
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No