Information card for entry 2210160

Structure parameters

• Chemical name: catena-Poly[[[bis(1H-benzimidazole-κN^3^)cobalt(II)]di-μ-azido] dihydrate]
• Formula: C14 H16 Co N10 O2
• Calculated formula: C14 H16 Co N10 O2
• SMILES: [Co]1([n]2c3ccccc3[nH]c2)([n]2c3ccccc3[nH]c2)([N](=N#N)[Co]([N]1=N#N)([n]1c2ccccc2[nH]c1)[n]1c2ccccc2[nH]c1)(N=N#N)N=N#N.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)cobalt(II)]-di-μ-azido] dihydrate]
• Authors of publication: Zhang, Chong; Ai, Hong-Qi; Sun, De-Zhi; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2045 - m2046
• a: 17.112 ± 0.002 Å
• b: 15.361 ± 0.002 Å
• c: 6.738 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1771.1 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes