Information card for entry 2228579

Structure parameters

• Chemical name: μ-Peroxido-bis[acetonitrilebis(ethylenediamine)cobalt(III)] tetrakis(perchlorate)
• Formula: C12 H38 Cl4 Co2 N10 O18
• Calculated formula: C12 H38 Cl4 Co2 N10 O18
• SMILES: C1C[NH2][Co]2([NH2]CC[NH2]2)([NH2]1)([N]#CC)OO[Co]12([NH2]CC[NH2]1)([NH2]CC[NH2]2)[N]#CC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: μ-Peroxido-bis[acetonitrilebis(ethylenediamine)cobalt(III)] tetrakis(perchlorate)
• Authors of publication: Regeta, Khrystyna O.; Odarich, Iryna; Pavlova, Svetlana V.; Kalibabchuk, Valentina A.; Haukka, Matti
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1631 - m1632
• a: 11.9747 ± 0.0007 Å
• b: 8.3348 ± 0.0006 Å
• c: 16.4921 ± 0.001 Å
• α: 90°
• β: 109.702 ± 0.005°
• γ: 90°
• Cell volume: 1549.66 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.067
• 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: No
• Has Fobs: Yes