Information card for entry 7051041

Structure parameters

• Formula: C114 H90 Cl4 N8 Ni2 O4
• Calculated formula: C114 H82 Cl4 N8 Ni2 O4
• Title of publication: Peculiar reactivity of face to face biscorrole and porphyrin‒corrole with a nickel(II) salt. X-Ray structural characterization of a new nickel(II) bisoxocorrole
• Authors of publication: François Jérôme; Jean-Michel Barbe; Claude P. Gros; Roger Guilard; Jean Fischer; Raymond Weiss
• Journal of publication: New J. Chem.
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 1
• Pages of publication: 93 - 101
• a: 16.1351 ± 0.0007 Å
• b: 16.3746 ± 0.0006 Å
• c: 19.6653 ± 0.0007 Å
• α: 109.763 ± 0.003°
• β: 93.411 ± 0.003°
• γ: 90.83 ± 0.003°
• Cell volume: 4877.7 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.121
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for all reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections: 1.348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No