Information card for entry 4334504

Structure parameters

• Formula: C24 H36 Br Co2 N2 O15
• Calculated formula: C24 H36 Br Co2 N2 O15
• SMILES: COc1cccc2c1O[Co]1345[N](=C2)C2(C[O]3[Co]3([OH]C2)([O]5CC(C[OH]3)(CO)[N]1=Cc1cccc(c1O4)OC)([OH2])Br)CO.O.O.O.O
• Title of publication: Slow Magnetic Relaxation in Co(III)-Co(II) Mixed-Valence Dinuclear Complexes with a CoIIO5X (X = Cl, Br, NO3) Distorted-Octahedral Coordination Sphere
• Authors of publication: Vadapalli Chandrasekhar; Atanu Dey; Antonio J. Mota; Enrique Colacio
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4554 - 4561
• a: 11.67 ± 0.002 Å
• b: 13.369 ± 0.002 Å
• c: 19.766 ± 0.003 Å
• α: 90°
• β: 106.395 ± 0.004°
• γ: 90°
• Cell volume: 2958.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No