Information card for entry 7705850

Structure parameters

• Formula: C108 H114 B2 Cl6 K2 N22 O12
• Calculated formula: C102 H110 B2 Cl4 K2 N22 O12
• Title of publication: Reaction of Ga^IIIClPc, Sn^IVCl₂TPP and B^IIIClSubPc with cyanide anions: reduction of macrocycles <i>vs.</i> formation of cyano-containing macrocyclic anions.
• Authors of publication: Konarev, Dmitri V.; Kuzmin, Alexey V.; Shestakov, Alexander F.; Rompanen, Ivan A.; Lyubovskaya, Rimma N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 46
• Pages of publication: 16801 - 16812
• a: 14.439 ± 0.0002 Å
• b: 15.2417 ± 0.0003 Å
• c: 25.1736 ± 0.0006 Å
• α: 97.018 ± 0.002°
• β: 91.803 ± 0.002°
• γ: 104.868 ± 0.002°
• Cell volume: 5303.07 ± 0.19 ų
• Cell temperature: 124 ± 7 K
• Ambient diffraction temperature: 124 ± 7 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: 0.1097
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.2243
• Weighted residual factors for all reflections included in the refinement: 0.2494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No