Information card for entry 7232063

Structure parameters

• Formula: C112 H118 Cl12 N32 Ni8 O69
• Calculated formula: C112 H80 Cl12 N32 Ni8 O69
• 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: 12.3939 ± 0.0006 Å
• b: 26.0105 ± 0.0012 Å
• c: 26.2478 ± 0.0013 Å
• α: 112.794 ± 0.0015°
• β: 95.4248 ± 0.0017°
• γ: 97.6923 ± 0.0018°
• Cell volume: 7630.6 ± 0.6 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: 0.1088
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No