Information card for entry 7035199

Structure parameters

• Formula: C27 H29 F12 N13 Ni2 O P2
• Calculated formula: C27 H29 F12 N13 Ni2 O P2
• Title of publication: Introducing a pyrazole/imidazole based hybrid cyclophane: a hydrogen bond sensor and binucleating ligand precursor.
• Authors of publication: Altmann, Philipp J.; Jandl, Christian; Pöthig, Alexander
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 11278 - 11281
• a: 16.9279 ± 0.001 Å
• b: 14.4946 ± 0.0008 Å
• c: 28.059 ± 0.0015 Å
• α: 90°
• β: 93.054 ± 0.004°
• γ: 90°
• Cell volume: 6874.9 ± 0.7 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No