Information card for entry 7232065

Structure parameters

• Formula: C120 H134 Cl10 N32 Ni8 O62
• Calculated formula: C120 H104 Cl10.0001 N32 Ni8 O61.9996
• Title of publication: Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges
• Authors of publication: Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 5
• Pages of publication: 917
• a: 12.4085 ± 0.0004 Å
• b: 23.2955 ± 0.0008 Å
• c: 28.0056 ± 0.0009 Å
• α: 86.006 ± 0.002°
• β: 81.19 ± 0.002°
• γ: 83.687 ± 0.002°
• Cell volume: 7939.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0744
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No