Information card for entry 4350375

Structure parameters

• Formula: C104 H92 I2 Mn2 N6 O2
• Calculated formula: C104 H92 I2 Mn2 N6 O2
• SMILES: O1CCCC1.C12c3ccccc3C(c3c2cccc3)[NH]1[Mn]1([N]2(C3c4ccccc4C2c2ccccc32)[Mn](I)([NH]2C3c4ccccc4C2c2ccccc32)[N]21C1c3ccccc3C2c2ccccc12)I.N1C2c3ccccc3C1c1c2cccc1.c1ccccc1.O1CCCC1.N1C2c3ccccc3C1c1ccccc21.c1ccccc1
• Title of publication: Pseudotetrahedral manganese complexes supported by the anionic tris(phosphino)borate ligand [PhBP(iPr)3].
• Authors of publication: Lu, Connie C.; Peters, Jonas C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 21
• Pages of publication: 8597 - 8607
• a: 10.602 ± 0.003 Å
• b: 12.269 ± 0.003 Å
• c: 17.484 ± 0.004 Å
• α: 81.448 ± 0.005°
• β: 81.588 ± 0.005°
• γ: 76.562 ± 0.005°
• Cell volume: 2172.6 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1561
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.282
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No