Information card for entry 7006917

Structure parameters

• Formula: C32 H38 Mo N8
• Calculated formula: C32 H38 Mo N8
• SMILES: [Mo]12(=NC(C)(C)C)(=NC(C)(C)C)([N](=NN1c1ccccc1)c1ccccc1)[N](=NN2c1ccccc1)c1ccccc1
• Title of publication: Film growth precursor development for metal nitrides. Synthesis, structure, and volatility of molybdenum(VI) and tungsten(VI) complexes containing bis(imido)metal fragments and various nitrogen donor ligands.
• Authors of publication: El-Kadri, Oussama M; Heeg, Mary Jane; Winter, Charles H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 16
• Pages of publication: 1943 - 1953
• a: 16.952 ± 0.006 Å
• b: 10.658 ± 0.004 Å
• c: 19.851 ± 0.008 Å
• α: 90°
• β: 113.311 ± 0.008°
• γ: 90°
• Cell volume: 3294 ± 2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.0827
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No