Information card for entry 7022430

Structure parameters

• Common name: syn-Mo(dpma-mes)(NMe2)(N)
• Formula: C31 H39 Mo N5
• Calculated formula: C31 H39 Mo N5
• SMILES: [Mo]12(#N)(n3c(C[N]1(Cc1ccc(c4c(cc(cc4C)C)C)n21)C)ccc3c1c(cc(C)cc1C)C)N(C)C
• Title of publication: Single-site N-N bond cleavage by Mo(IV): possible mechanisms of hydrazido(1-) to nitrido conversion.
• Authors of publication: DiFranco, Stephen A.; Staples, Richard J.; Odom, Aaron L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 2530 - 2539
• a: 11.4321 ± 0.0002 Å
• b: 7.8038 ± 0.0001 Å
• c: 16.3214 ± 0.0002 Å
• α: 90°
• β: 102.444 ± 0.001°
• γ: 90°
• Cell volume: 1421.89 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0204
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No