Information card for entry 2209672

Structure parameters

• Chemical name: Diaqua-trans-bis(2-carboxylato-4-nitropyridine-1-oxido-κ^2^O,O') manganese(II) dihydrate
• Formula: C12 H14 Mn N4 O14
• Calculated formula: C12 H14 Mn N4 O14
• SMILES: c12n(ccc(c1)N(=O)=O)=[O][Mn]1([OH2])(OC2=O)(OC(=O)c2cc(ccn2=[O]1)N(=O)=O)[OH2].O.O
• Title of publication: <i>trans</i>-Diaquabis(2-carboxylato-4-nitropyridine 1-oxide-κ^2^<i>O</i>^1^,<i>O</i>^2^)manganese(II) dihydrate
• Authors of publication: Jing Chen; Yong Lu; Wen-Shi Wu; Jin-Cao Dai; Jian-Ming Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1540 - m1541
• a: 7.566 ± 0.006 Å
• b: 7.766 ± 0.009 Å
• c: 8.582 ± 0.008 Å
• α: 65.57 ± 0.04°
• β: 78.95 ± 0.04°
• γ: 89.14 ± 0.04°
• Cell volume: 449.4 ± 0.8 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes