Information card for entry 7049961

Structure parameters

• Formula: C31 H25 Br Mo N2 O2
• Calculated formula: C31 H25 Br Mo N2 O2
• Title of publication: Molybdenum(ii) complexes with p-substituted BIAN ligands: synthesis, characterization, biological activity and computational study.
• Authors of publication: Quintal, Susana; Pires da Silva, Maria João; Martins, Soraia R. M.; Sales, Rita; Félix, Vítor; Drew, Michael G. B.; Meireles, Margarida; Mourato, Ana C.; Nunes, Carla D.; Saraiva, Marta S.; Machuqueiro, Miguel; Calhorda, Maria José
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 23
• Pages of publication: 8449 - 8463
• a: 10.2544 ± 0.0017 Å
• b: 11.748 ± 0.002 Å
• c: 12.826 ± 0.002 Å
• α: 78.519 ± 0.009°
• β: 68.136 ± 0.008°
• γ: 68.329 ± 0.008°
• Cell volume: 1329.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0245
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No