Information card for entry 2220488

Structure parameters

• Chemical name: Aqua(dicyanamido-κN^1^)(nitrato-κ^2^<i>O</i>,<i>O</i>')(2,3,5,6-tetra-2- pyridylpyrazine-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)manganese(II)
• Formula: C26 H18 Mn N10 O4
• Calculated formula: C26 H18 Mn N10 O4
• SMILES: [Mn]123([n]4c(cccc4)c4[n]1c(c1[n]2cccc1)c(nc4c1ncccc1)c1ncccc1)([O]=N(O3)=O)([OH2])N=C=NC#N
• Title of publication: Aqua(dicyanamido-κ<i>N</i>^1^)(nitrato-κ^2^<i>O</i>,<i>O</i>')(2,3,5,6-tetra-2-pyridylpyrazine-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)manganese(II)
• Authors of publication: Callejo, Lorena; De la Pinta, Noelia; Vitoria, Pablo; Cortés, Roberto
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m68 - m69
• a: 14.0988 ± 0.0011 Å
• b: 9.7739 ± 0.0008 Å
• c: 18.7205 ± 0.0013 Å
• α: 90°
• β: 94.491 ± 0.006°
• γ: 90°
• Cell volume: 2571.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes