Information card for entry 2239298

Structure parameters

• Chemical name: Piperazine-1,4-diium bis(hexahydroxidoheptaoxidohexaborato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')cobaltate(II) hexahydrate
• Formula: C4 H36 B12 Co N2 O32
• Calculated formula: C4 H36 B12 Co N2 O32
• SMILES: [B]123[OH][Co]456([OH][B]7(OB(O[B](OB(O1)O)([O]37)[OH]6)O)OB(O2)O)[OH][B]12OB(O)O[B]3([OH]5)OB(O)O[B]([OH]4)(OB(O)O1)[O]23.[NH2+]1CC[NH2+]CC1.O.O.O.O.O.O
• Title of publication: Piperazine-1,4-diium bis(hexahydroxidoheptaoxidohexaborato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')cobaltate(II) hexahydrate
• Authors of publication: Jamai, Nabil; Rzaigui, Mohamed; Toumi, Samah Akriche
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: m167 - m168
• a: 8.226 ± 0.003 Å
• b: 10.157 ± 0.002 Å
• c: 11.298 ± 0.004 Å
• α: 65.98 ± 0.02°
• β: 74.2 ± 0.03°
• γ: 69.03 ± 0.05°
• Cell volume: 796.2 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0703
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes