Information card for entry 7054051

Structure parameters

• Formula: C72 H52 Cu2 Mo N16 O5
• Calculated formula: C72 H52 Cu2 Mo N16 O5
• Title of publication: Syntheses, structures and magnetic properties of two-dimensional chiral coordination polymers based on a tetradentate chiral ligand
• Authors of publication: Shiga, Takuya; Takeo, Mayumi; Iijima, Fumichika; Newton, Graham N.; Oshio, Hiroki
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 5
• Pages of publication: 1946
• a: 15.2194 ± 0.0018 Å
• b: 11.4434 ± 0.0018 Å
• c: 19.218 ± 0.003 Å
• α: 90°
• β: 90.342 ± 0.004°
• γ: 90°
• Cell volume: 3347 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No