Information card for entry 7234209

Structure parameters

• Formula: C15 H16 Br Mo N3 O6
• Calculated formula: C15 H16 Br Mo N3 O6
• Title of publication: Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions
• Authors of publication: Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 41
• Pages of publication: 6281
• a: 8.9754 ± 0.0002 Å
• b: 12.0144 ± 0.0009 Å
• c: 16.8807 ± 0.0006 Å
• α: 90°
• β: 96.192 ± 0.003°
• γ: 90°
• Cell volume: 1809.69 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0335
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No