Information card for entry 7013209

Structure parameters

• Formula: C28 H24 Cl2 Co N8 O8
• Calculated formula: C28 H24 Cl2 Co N8 O8
• SMILES: [Co]1234([n]5n(Cc6[n]1cccc6)ccc5c1[n]2cccc1)[n]1n(ccc1c1[n]3cccc1)Cc1[n]4cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis and properties of [MII(L6)2][ClO4]2 (M = Fe, Co and Ni): structures of Co and Ni complexes and spin-state transition by Fe complex (L6 = 2-[3-(2?-pyridyl)pyrazol-1-ylmethyl]pyridine)Electronic supplementary information (ESI) available: Fig. S1?S6 discussed in the text. See http://www.rsc.org/suppdata/dt/b3/b305574d/
• Authors of publication: Singh, Shubha; Mishra, Vibha; Mukherjee, Jhumpa; Seethalekshmi, N.; Mukherjee, Rabindranath
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 17
• Pages of publication: 3392
• a: 11.875 ± 0.005 Å
• b: 14.54 ± 0.005 Å
• c: 19.271 ± 0.005 Å
• α: 94.01 ± 0.05°
• β: 93 ± 0.05°
• γ: 111.22 ± 0.05°
• Cell volume: 3083 ± 2 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: 0.3321
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1733
• Goodness-of-fit parameter for all reflections included in the refinement: 0.827
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No