Information card for entry 4313900

Structure parameters

• Formula: C41 H49 Cl Mn2 N6 O10
• Calculated formula: C41 H49 Cl Mn2 N6 O10
• SMILES: [Mn]12345[O]6[Mn]78([O]=C(O1)C)(OC(=[O]2)C)[N](Cc1c6c(cc(c1)C)C[N]3(Cc1[n]4cccc1)Cc1[n]5cccc1)(Cc1[n]7cccc1)Cc1[n]8cccc1.Cl(=O)(=O)(=O)[O-].O(CC)CC
• Title of publication: X- and Q-Band EPR Studies of the Dinuclear Mn(II) Complex [(BMP)MN~2~(μ-OAc)~2~]^+^. Determination of the Spin Parameters for the S=1 and S=2 Spin States
• Authors of publication: Sébastien Blanchard; Geneviève Blondin; Eric Rivière; Martine Nierlich; Jean-Jacques Girerd
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4568 - 4578
• a: 10.154 ± 0.002 Å
• b: 12.045 ± 0.002 Å
• c: 17.743 ± 0.004 Å
• α: 101.69 ± 0.03°
• β: 93.62 ± 0.03°
• γ: 94.67 ± 0.03°
• Cell volume: 2110.9 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.118
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No