Information card for entry 7219045

Structure parameters

• Chemical name: [6-(2'-Pyridyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine] copper(II)(hfac)(triflate)
• Formula: C23 H14 Cu F9 N5 O4
• Calculated formula: C23 H14 Cu F9 N5 O4
• Title of publication: Probing the reactivity of a 2,2′-bipyridyl-3,3′-bis-imine ligand by X-ray crystallography
• Authors of publication: Wang, Jian; Hayward, John J.; Gumbau-Brisa, Roger; Wallis, John D.; Stoeckli-Evans, Helen; Pilkington, Melanie
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 5
• Pages of publication: 1159
• a: 8.2407 ± 0.0009 Å
• b: 10.3017 ± 0.0011 Å
• c: 15.4495 ± 0.0016 Å
• α: 103.709 ± 0.012°
• β: 98.082 ± 0.012°
• γ: 101.143 ± 0.013°
• Cell volume: 1226 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0661
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No