Information card for entry 7025296

Structure parameters

• Formula: C84 H150 Cl6 Cu6 N24 Na2 Ni2 O54
• Calculated formula: C84 H150 Cl6.02 Cu6 N24 Na2 Ni2 O54.08
• Title of publication: Variation of the ground spin state in homo- and hetero-octanuclear copper(ii) and nickel(ii) double-star complexes with a meso-helicate-type metallacryptand core
• Authors of publication: Pardo, Emilio; Dul, Marie-Claire; Lescouëzec, Rodrigue; Chamoreau, Lise-Marie; Journaux, Yves; Pasán, Jorge; Ruiz-Pérez, Catalina; Julve, Miguel; Lloret, Francesc; Ruiz-García, Rafael; Cano, Joan
• Journal of publication: Dalton Transactions
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 20
• Pages of publication: 4786
• a: 17.426 ± 0.003 Å
• b: 17.426 ± 0.003 Å
• c: 31.674 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8330 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 188
• Hermann-Mauguin space group symbol: P -6 c 2
• Hall space group symbol: P -6c 2
• Residual factor for all reflections: 0.0992
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for significantly intense reflections: 0.2465
• Weighted residual factors for all reflections included in the refinement: 0.2504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.7293 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No