Information card for entry 7705848

Structure parameters

• Formula: C108 H108 Cl2 Ga2 K2 N22 O12
• Calculated formula: C108 H108 Cl2 Ga2 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: 37.553 ± 0.002 Å
• b: 13.528 ± 0.0002 Å
• c: 28.951 ± 0.0017 Å
• α: 90°
• β: 137.663 ± 0.011°
• γ: 90°
• Cell volume: 9905 ± 2 ų
• Cell temperature: 118 ± 0.14 K
• Ambient diffraction temperature: 118 ± 0.14 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No