Information card for entry 7006911

Structure parameters

• Formula: C30 H56 Mo N6
• Calculated formula: C30 H56 Mo N6
• SMILES: [Mo]12(=NC(C)(C)C)(=NC(C)(C)C)(n3[n]1c(cc3C(C)(C)C)C(C)(C)C)n1[n]2c(cc1C(C)(C)C)C(C)(C)C
• 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: 18.211 ± 0.002 Å
• b: 10.9777 ± 0.0011 Å
• c: 19.579 ± 0.002 Å
• α: 90°
• β: 113.467 ± 0.002°
• γ: 90°
• Cell volume: 3590.4 ± 0.6 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: 0.1687
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No