Information card for entry 7001353

Structure parameters

• Formula: C49 H53 B Cu F5 N7 O7
• Calculated formula: C49 H53 B Cu F5 N7 O7
• Title of publication: Stabilisation of a very short Cu‒F bond within the protected cavity of a copper(ii) compound from a tris(2-aminoethyl)amine derivative
• Authors of publication: Almesåker, Ann; Gamez, Patrick; Reedijk, Jan; Scott, Janet L.; Spiccia, Leone; Teat, Simon J.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 21
• Pages of publication: 4077 - 4080
• a: 9.2815 ± 0.0008 Å
• b: 14.9581 ± 0.0014 Å
• c: 17.4574 ± 0.0016 Å
• α: 95.741 ± 0.002°
• β: 92.388 ± 0.002°
• γ: 104.621 ± 0.002°
• Cell volume: 2327.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No