Information card for entry 4310686

Structure parameters

• Formula: C26 H52 F12 N8 Ni2 O2 P2
• Calculated formula: C26 H52 F12 N8 Ni2 O2 P2
• SMILES: C1(CC([NH]2CCC[NH]3[Ni]42([N]=1CCC3)[NH]=C1C(O4)=[NH][Ni]23([N]4=C(CC([NH]2CCC[NH]3CCC4)(C)C)C)O1)(C)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Oxamidate-Bridged Dinuclear Five-Coordinate Nickel(II) Complexes: A Magneto-Structural Study
• Authors of publication: M. Dolores Santana; Gabriel García; Miguel Julve; Francesc Lloret; José Pérez; Malva Liu; Francisco Sanz; Joan Cano; Gregorio López
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2132 - 2140
• a: 7.901 ± 0.004 Å
• b: 13.597 ± 0.006 Å
• c: 17.565 ± 0.01 Å
• α: 90°
• β: 96.46 ± 0.04°
• γ: 90°
• Cell volume: 1875 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.123
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No