Information card for entry 7219365

Structure parameters

• Formula: C15 H17 Cu N5 O
• Calculated formula: C15 H17 Cu N5 O
• Title of publication: Spontaneous resolution of P and M helical copper(II) MOFs built from achiral precursors
• Authors of publication: Chattopadhyay, Shouvik; Bhattacharyya, Anik
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.0058 ± 0.0003 Å
• b: 6.8434 ± 0.0002 Å
• c: 14.0474 ± 0.0005 Å
• α: 90°
• β: 103.658 ± 0.002°
• γ: 90°
• Cell volume: 747.85 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No