Information card for entry 2215141

Structure parameters

• Chemical name: catena-Poly[[manganese(II)-μ-[N,N,N',N'-tetrakis(2-pyridylmethyl)hexane- 1,6-diamine]] diperchlorate acetone disolvate dihydrate]
• Formula: C36 H52 Cl2 Mn N6 O12
• Calculated formula: C36 H48 Cl2 Mn N6 O12
• SMILES: [Mn]1234([n]5ccccc5C[N]2(Cc2[n]1cccc2)CCCCCC[N]12[Mn]([n]5ccccc5C1)[n]1ccccc1C2)[n]1ccccc1C[N]4(Cc1[n]3cccc1)CCCCCCN(Cc1ncccc1)Cc1ncccc1.Cl(=O)(=O)(=O)[O-].O=C(C)C.O.Cl(=O)(=O)(=O)[O-].O=C(C)C.O.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O=C(C)C.O.O=C(C)C.O
• Title of publication: <i>catena</i>-Poly[[manganese(II)-μ-[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis(2-pyridylmethyl)hexane-1,6-diamine]] bis(perchlorate) acetone disolvate dihydrate]
• Authors of publication: Hwang, In-Chul; Ha, Kwang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2302 - m2302
• a: 18.7266 ± 0.0016 Å
• b: 14.5252 ± 0.0012 Å
• c: 15.2375 ± 0.0013 Å
• α: 90°
• β: 94.782 ± 0.002°
• γ: 90°
• Cell volume: 4130.3 ± 0.6 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1312
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1991
• Weighted residual factors for all reflections included in the refinement: 0.2271
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes