Information card for entry 4339255

Structure parameters

• Formula: C48 H88 N8 Ni2 O34.625 P2
• Calculated formula: C48 H32 N8 Ni2 O34.625 P2
• 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: 42.9658 ± 0.0007 Å
• b: 42.9658 ± 0.0007 Å
• c: 29.3862 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 54249 ± 2 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 6
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.1661
• Residual factor for significantly intense reflections: 0.1063
• Weighted residual factors for significantly intense reflections: 0.2784
• Weighted residual factors for all reflections included in the refinement: 0.3496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No