Information card for entry 7049308

Structure parameters

• Formula: C76 H92 Cl2 K2 N14 O12 Sn
• Calculated formula: C70 H88 K2 N14 O12 Sn
• Title of publication: Coordination-induced metal-to-macrocycle charge transfer and effect of cations on reorientation of the CN ligand in the {SnL₂Mac}^2- dianions (L = CN^-, OCN^-, Im^-; Mac = phthalo- or naphthalocyanine).
• Authors of publication: Konarev, Dmitri V.; Kuzmin, Alexey V.; Shestakov, Alexander F.; Khasanov, Salavat S.; Lyubovskaya, Rimma N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 15
• Pages of publication: 4961 - 4972
• a: 12.7619 ± 0.0003 Å
• b: 13.3263 ± 0.0003 Å
• c: 14.0032 ± 0.0003 Å
• α: 63.247 ± 0.002°
• β: 74.649 ± 0.002°
• γ: 67.758 ± 0.002°
• Cell volume: 1955.48 ± 0.09 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 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: 0.0341
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No