Information card for entry 7238850

Structure parameters

• Formula: C17 H28 B2 Cu2 F8 N4 O12
• Calculated formula: C17 H24 B2 Cu2 F7.992 N4 O12
• Title of publication: Copper(ii) coordination polymers of imdc− (H2imdc+ = the 1,3-bis(carboxymethyl)imidazolium cation): unusual sheet interpenetration and an unexpected single crystal-to-single crystal transformation
• Authors of publication: Abrahams, Brendan F.; Maynard-Casely, Helen E.; Robson, Richard; White, Keith F.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9729
• a: 16.6263 ± 0.0003 Å
• b: 12.7971 ± 0.0003 Å
• c: 14.4678 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3078.29 ± 0.11 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1562
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No