Information card for entry 2221467

Structure parameters

• Common name: Tris(ethylenediamine)cobalt(II) bis[4,4',6,6'-tetrahydroxy-2,2'-spirobi(cyclotriboroxane)(1-)] dihydrate
• Chemical name: Tris(ethylenediamine)cobalt(II) bis(tetrahydroxypentaborate) dihydrate
• Formula: C6 H36 B10 Co N6 O22
• Calculated formula: C6 H36 B10 Co N6 O22
• SMILES: [Co]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.[B-]12(OB(OB(O1)O)O)OB(OB(O2)O)O.[B-]12(OB(OB(O1)O)O)OB(OB(O2)O)O.O.O
• Title of publication: Tris(ethylenediamine)cobalt(II) bis(tetrahydroxypentaborate) dihydrate
• Authors of publication: Zhao, Lizhen; Li, Ping; Cao, Baoliang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m368
• a: 8.504 ± 0.004 Å
• b: 23.127 ± 0.01 Å
• c: 15.306 ± 0.007 Å
• α: 90°
• β: 93.549 ± 0.007°
• γ: 90°
• Cell volume: 3004 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1365
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1814
• Weighted residual factors for all reflections included in the refinement: 0.2315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes