Information card for entry 7216353

Structure parameters

• Formula: C16 H14 As2 Mn N6 O6
• Calculated formula: C16 H14 As2 Mn N6 O6
• Title of publication: Exploring the coordination chemistry of bifunctional organoarsonate ligands: syntheses and characterisation of coordination polymers that contain 4-(1,2,4-triazol-4-yl)phenylarsonic acid
• Authors of publication: Lin, Jian-Di; Clérac, Rodolphe; Rouzières, Mathieu; Venkatesan, Munuswamy; Chimamkpam, Theresa O.; Schmitt, Wolfgang
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 34
• Pages of publication: 7894
• a: 8.5378 ± 0.0017 Å
• b: 17.151 ± 0.003 Å
• c: 12.69 ± 0.003 Å
• α: 90°
• β: 96.98 ± 0.03°
• γ: 90°
• Cell volume: 1844.4 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0296
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No