Information card for entry 2215048

Structure parameters

• Chemical name: [μ-11,24-dimethyl-16,19-dioxa-3,7,15,20- tetraazatricyclo[20.3.1.1^9,13^]heptacosa- 1(25),2,7,9,11,13(27),14,20,22(26),23-decaene-26,27- diolato]bis[diaquanickel(II)] bis(perchlorate) tetrahydrate
• Formula: C23 H40 Cl2 N4 Ni2 O20
• Calculated formula: C23 H40 Cl2 N4 Ni2 O20
• Title of publication: A binuclear unsymmetrical compartmental Ni^II^ complex: [μ-11,24-dimethyl-16,19-dioxa-3,7,15,20-tetraazatricyclo[20.3.1.1^9,13^]heptacosa-1(25),2,7,9,11,13(27),14,20,22(26),23-decaene-26,27-diolato]bis[diaquanickel(II)] bis(perchlorate) tetrahydrate
• Authors of publication: S. Anbu; M. Kandaswamy; Babu Varghese
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2330 - m2331
• a: 7.5227 ± 0.0003 Å
• b: 10.3081 ± 0.0003 Å
• c: 12.2764 ± 0.0005 Å
• α: 107.167 ± 0.002°
• β: 94.932 ± 0.002°
• γ: 103.092 ± 0.002°
• Cell volume: 873.89 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0452
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes