Information card for entry 8102059

Structure parameters

• Chemical name: aqua[N,N,N',N'-tetrakis(2-pyridylmethyl)-1,2-diaminocyclohexane]manganese(II) dibromide tetrahydrate
• Formula: C30 H44 Br2 Mn N6 O5
• Calculated formula: C30 H44 Br2 Mn N6 O5
• SMILES: [Mn]12345([OH2])[n]6ccccc6C[N]2(Cc2[n]1cccc2)[C@H]1CCCC[C@@H]1[N]3(Cc1[n]4cccc1)Cc1[n]5cccc1.[Br-].[Br-].O.O.O.O
• Title of publication: Crystal structure of aqua(N,N,N',N'-tetrakis(2-pyridylmethyl)-1,2- diaminocyclohexane)manganese(II) dibromide tetrahydrate, [Mn{C~6~H~10~N~2~ (C~6~H~6~N)~4~}(H~2~O)]Br~2~ · 4H~2~O
• Authors of publication: Hwang, I.-C.; Ha, K.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 4
• Pages of publication: 468 - 470
• a: 11.0771 ± 0.0006 Å
• b: 17.1592 ± 0.0009 Å
• c: 18.4825 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3513 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1057
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No