Information card for entry 4344753

Structure parameters

• Formula: C222 H144 Cl13 N13 Ni12 O44
• Calculated formula: C222 H144 Cl13 N13 Ni12 O43.992
• Title of publication: "Ligands-with-Benefits": Naphthalene-Substituted Schiff Bases Yielding New Ni(II) Metal Clusters with Ferromagnetic and Emissive Properties and Undergoing Exciting Transformations.
• Authors of publication: Perlepe, Panagiota S.; Cunha-Silva, Luís; Gagnon, Kevin J.; Teat, Simon J.; Lampropoulos, Christos; Escuer, Albert; Stamatatos, Theocharis C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 1270 - 1277
• a: 16.9856 ± 0.0006 Å
• b: 25.1456 ± 0.0011 Å
• c: 32.8854 ± 0.0013 Å
• α: 72.694 ± 0.002°
• β: 84.405 ± 0.002°
• γ: 83.388 ± 0.002°
• Cell volume: 13291.1 ± 0.9 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: 0.0802
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No