Information card for entry 2219393

Structure parameters

• Chemical name: catena-Poly[[[diaquacobalt(II)]bis(μ-1,3-di-4-pyridylpropane-κ^2^N:N')] bis(perchlorate) bis(1,3-di-4-pyridylpropane) bis(2-methyl-4-nitroaniline)]
• Formula: C66 H76 Cl2 Co N12 O14
• Calculated formula: C66 H76 Cl2 Co N12 O14
• SMILES: [Co]1([OH2])([OH2])[n]2ccc(cc2)CCCc2cc[n](cc2)[Co]([OH2])([OH2])([n]2ccc(cc2)CCCc2cc[n]1cc2)([n]1ccc(cc1)CCCc1ccncc1)[n]1ccc(CCCc2ccncc2)cc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O=N(=O)c1ccc(N)c(c1)C.O=N(=O)c1ccc(N)c(C)c1.n1ccc(cc1)CCCc1ccncc1.n1ccc(cc1)CCCc1ccncc1.O=N(=O)c1ccc(N)c(c1)C.O=N(=O)c1ccc(N)c(C)c1.n1ccc(cc1)CCCc1ccncc1.n1ccc(cc1)CCCc1ccncc1
• Title of publication: <i>catena</i>-Poly[[[diaquacobalt(II)]bis(μ-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>')] bis(perchlorate) bis(1,3-di-4-pyridylpropane) bis(2-methyl-4-nitroaniline)]
• Authors of publication: Fu, Zhiyong; Chen, Yuan; Yi, Jianglong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1199 - m1200
• a: 10.931 ± 0.0003 Å
• b: 11.6505 ± 0.0005 Å
• c: 15.2054 ± 0.0004 Å
• α: 71.0112 ± 0.0007°
• β: 82.4011 ± 0.0006°
• γ: 68.3933 ± 0.0007°
• Cell volume: 1702.22 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1264
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes