Information card for entry 7711734

Structure parameters

• Formula: C36 H42 Cl2 Cu2 N6 O15
• Calculated formula: C36 H42 Cl2 Cu2 N6 O15
• 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: 8.3591 ± 0.0018 Å
• b: 14.062 ± 0.003 Å
• c: 17.681 ± 0.003 Å
• α: 104.148 ± 0.005°
• β: 92.767 ± 0.005°
• γ: 104.97 ± 0.005°
• Cell volume: 1933.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.061
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No