Information card for entry 7013208

Structure parameters

• Formula: C28 H24 Cl2 N8 Ni O8
• Calculated formula: C28 H24 Cl2 N8 Ni O8
• SMILES: [Ni]1234([n]5n(Cc6[n]3cccc6)ccc5c3[n]4cccc3)[n]3c(Cn4[n]1c(c1[n]2cccc1)cc4)cccc3.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: 11.93 ± 0.006 Å
• b: 14.639 ± 0.008 Å
• c: 19.008 ± 0.012 Å
• α: 93.43 ± 0.05°
• β: 92.68 ± 0.05°
• γ: 112.07 ± 0.05°
• Cell volume: 3062 ± 3 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: 0.3413
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.2073
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No