Information card for entry 2014358

Structure parameters

• Chemical name: catena-Poly[[aqua(dinitrato-κ^2^O,O')cadmium(II)]-μ-1,2,3,6,7,8- hexahydrocinnolino[5,4,3-cde]cinnoline-κN^1^:κN^6^]
• Formula: C12 H14 Cd N6 O7
• Calculated formula: C12 H14 Cd N6 O7
• SMILES: [Cd]12(ON(=[O]1)=O)(ON(=[O]2)=O)([OH2])[n]1nc2c3c4c1CCCc4n[n](c3CCC2)[Cd]12(ON(=[O]1)=O)(ON(=[O]2)=O)([OH2])[n]1nc2c3c4c1CCCc4nnc3CCC2
• Title of publication: Cadmium nitrate coordination polymers with substituted pyridazino[4,5-<i>d</i>]pyridazines
• Authors of publication: Domasevitch, Konstantin V.; Solntsev, Pavlo V.; Sieler, Joachim
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m70 - m73
• a: 7.324 ± 0.0006 Å
• b: 13.7493 ± 0.0012 Å
• c: 15.9016 ± 0.0013 Å
• α: 90°
• β: 90.72 ± 0.002°
• γ: 90°
• Cell volume: 1601.2 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes