Information card for entry 7103855

Structure parameters

• Formula: C38 H51 Mo5 N9 Ni2 O32.5 P2
• Calculated formula: C38 H28 Mo5 N9 Ni2 O32.4 P2
• Title of publication: A building block approach to the synthesis of organic‒inorganic oxide materials: the hydrothermal synthesis and network structure of [{Ni4(tpypyz)3}{Mo5O15(O3PCH2CH2PO3)}2]·23H2O (tpypyz = tetra-2-pyridylpyrazine)
• Authors of publication: Burkholder, Eric; Golub, Vladimir; O'Connor, Charles J.; Zubieta, Jon
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 17
• Pages of publication: 2128 - 2129
• a: 24.6741 ± 0.0013 Å
• b: 15.4148 ± 0.0008 Å
• c: 30.8125 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11719.4 ± 1.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1249
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No