Information card for entry 2213897

Structure parameters

• Chemical name: {(2-guanidinobenzimidazole-κ^2^<i>N</i>,<i>N</i>')[hydridotris(3,5- methylphenylpyrazolyl)borato-κ^3^N,N',N'']}cobalt(II) perchlorate‒{(2-guanidinobenzimidazolato-κ^2^N,N')[hydridotris(3,5- methylphenylpyrazolyl)borato-κ^3^N,N',N'']cobalt(II)} methanol solvate monohydrate
• Formula: C77 H79 B2 Cl Co2 N22 O6
• Calculated formula: C77 H77 B2 Cl Co2 N22 O6
• SMILES: [Co]123([n]4[n]([BH]([n]5[n]1c(cc5C)c1ccccc1)[n]1[n]2c(cc1C)c1ccccc1)c(C)cc4c1ccccc1)NC(=Nc1[nH]c2c([n]31)cccc2)N.[Co]123([n]4[n]([BH]([n]5[n]1c(cc5C)c1ccccc1)[n]1[n]2c(cc1C)c1ccccc1)c(C)cc4c1ccccc1)[NH]=C(N)Nc1[nH]c2c([n]31)cccc2.Cl(=O)(=O)(=O)[O-].OC.O
• Title of publication: Cocrystal of (2-guanidinobenzimidazole-κ^2^<i>N</i>,<i>N</i>')[hydridotris(3,5-methylphenylpyrazolyl)borato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']cobalt(II) perchlorate and (2-guanidinobenzimidazolato-κ^2^<i>N</i>,<i>N</i>')[hydridotris(3,5-methylphenylpyrazolyl)borato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']cobalt(II) methanol solvate monohydrate
• Authors of publication: He, Hong-Shan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1573 - m1575
• a: 12.208 ± 0.002 Å
• b: 17.727 ± 0.004 Å
• c: 20.295 ± 0.004 Å
• α: 106.31 ± 0.03°
• β: 99.3 ± 0.03°
• γ: 103.14 ± 0.03°
• Cell volume: 3983.7 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1355
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes