Information card for entry 4339256

Structure parameters

• Formula: C48 H58 Mn2 N8 O20 P2
• Calculated formula: C48 H32 Mn2 N8 O20 P2
• SMILES: [Mn]123([n]4cccc5ccc6ccc[n]1c6c45)([n]1cccc4ccc5ccc[n]2c5c14)OP1(=O)O[Mn]24([n]5cccc6ccc7ccc[n]2c7c56)([n]2cccc5ccc6ccc[n]4c6c25)OP(=O)(O1)O3.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Synthesis and structural and magnetic characterization of {[(phen)(2)Ni](2)(micro-P(2)O(7))} . 27H(2)O and {[(phen)(2)Mn](2)(micro-P(2)O(7))} . 13H(2)O: rare examples of coordination complexes with the pyrophosphate ligand.
• Authors of publication: Ikotun, Oluwatayo F.; Armatus, N. Gabriel; Julve, Miguel; Kruger, Paul E.; Lloret, Francesc; Nieuwenhuyzen, Mark; Doyle, Robert P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 6668 - 6674
• a: 13.693 ± 0.003 Å
• b: 14.093 ± 0.003 Å
• c: 14.602 ± 0.003 Å
• α: 89.962 ± 0.005°
• β: 77.079 ± 0.005°
• γ: 82.916 ± 0.005°
• Cell volume: 2724.5 ± 1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.1176
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1662
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No