Information card for entry 1558192

Structure parameters

• Formula: C133 H101 Cl5 I3 N9 Ni12 O35
• Calculated formula: C133 H87 Cl5 I3 N9 Ni12 O35
• Title of publication: Rare Nuclearities in Ni(II) Cluster Chemistry: An Unprecedented {Ni12} Nanosized Cage from the Use of N-Naphthalidene-2-Amino-5-Chlorobenzoic Acid
• Authors of publication: Perlepe, Panagiota S.; Pantelis, Konstantinos N.; Cunha-Silva, Luís; Bekiari, Vlasoula; Escuer, Albert; Stamatatos, Theocharis C.
• Journal of publication: Inorganics
• Year of publication: 2020
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 32
• a: 19.422 ± 0.002 Å
• b: 22.654 ± 0.003 Å
• c: 25.321 ± 0.003 Å
• α: 115.783 ± 0.004°
• β: 92.992 ± 0.005°
• γ: 106.118 ± 0.005°
• Cell volume: 9443 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.2099
• Weighted residual factors for all reflections included in the refinement: 0.2361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No