Information card for entry 7711732

Structure parameters

• Formula: C65 H88 Cl4 Cu4 N12 O39
• Calculated formula: C65 H88 Cl4 Cu4 N12 O39
• Title of publication: Effect of the flexible chain length of a dimetal subunit on the formation of 1D coordination polymers to molecular rectangles
• Authors of publication: Gogia, Alisha; Khullar, Sadhika; Chanda, Alokananda; Mandal, Sanjay K.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 15.172 ± 0.004 Å
• b: 18.286 ± 0.005 Å
• c: 18.415 ± 0.005 Å
• α: 118.725 ± 0.003°
• β: 99.565 ± 0.004°
• γ: 99.527 ± 0.004°
• Cell volume: 4236 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1902
• Residual factor for significantly intense reflections: 0.1175
• Weighted residual factors for significantly intense reflections: 0.2837
• Weighted residual factors for all reflections included in the refinement: 0.321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No