Information card for entry 4502892

Structure parameters

• Formula: C16 H13 Co2 N5 O6
• Calculated formula: C16 H11 Co1.899 N5 O6
• Title of publication: Factors Affecting the Conformational Modulation of Flexible Ligands in the Self-Assembly Process of Coordination Polymers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies of [Co(pda)(bix)]n, [Ni(pda)(bix)(H2O)]n, [Cu(pda)(bix)2(H2O)2]n·8nH2O, [Co2(μ-OH)(pda)(ptz)]n·nH2O, [Co(hfipbb)(bix)0.5]n, and [Co(2,6-pydc)(bix)1.5]n·4nH2O
• Authors of publication: Tripuramallu, Bharat Kumar; Manna, Paulami; Nagaprasad Reddy, Samala; Das, Samar K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 777
• a: 9.0096 ± 0.0009 Å
• b: 20.558 ± 0.002 Å
• c: 9.7353 ± 0.001 Å
• α: 90°
• β: 100.547 ± 0.002°
• γ: 90°
• Cell volume: 1772.7 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0781
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1893
• Weighted residual factors for all reflections included in the refinement: 0.1929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No