Information card for entry 1550812

Structure parameters

• Formula: C21 H23 Br Mn N O3 Se2
• Calculated formula: C21 H23 Br Mn N O3 Se2
• SMILES: [Mn]1(C#[O])(C#[O])(C#[O])(Br)[NH](CC[Se]Cc2ccccc2)CC[Se]1Cc1ccccc1
• Title of publication: Synthesis, characterization and biological evaluation of new manganese metal carbonyl compounds that contain sulfur and selenium ligands as a promising new class of CORMs.
• Authors of publication: Amorim, André L; Peterle, Marcos M.; Guerreiro, Ana; Coimbra, Daniel F.; Heying, Renata S.; Caramori, Giovani F.; Braga, Antonio L.; Bortoluzzi, Adailton J.; Neves, Ademir; Bernardes, Gonçalo J L; Peralta, Rosely A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 17
• Pages of publication: 5574 - 5584
• a: 7.5601 ± 0.0002 Å
• b: 12.4079 ± 0.0004 Å
• c: 13.3682 ± 0.0005 Å
• α: 103.016 ± 0.001°
• β: 97.653 ± 0.001°
• γ: 104.81 ± 0.001°
• Cell volume: 1156.72 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No