Information card for entry 7049443

Structure parameters

• Formula: C40 H35 N4 O3 P Zn
• Calculated formula: C40 H35 N4 O3 P Zn
• Title of publication: Coordination self-assembly through weak interactions in meso-dialkoxyphosphoryl-substituted zinc porphyrinates.
• Authors of publication: Nefedov, Sergey E.; Birin, Kirill P.; Bessmertnykh-Lemeune, Alla; Enakieva, Yulia Y.; Sinelshchikova, Anna A.; Gorbunova, Yulia G.; Tsivadze, Aslan Y.; Stern, Christine; Fang, Yuanyuan; Kadish, Karl M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 16
• Pages of publication: 5372 - 5383
• a: 11.4139 ± 0.0014 Å
• b: 21.797 ± 0.003 Å
• c: 26.842 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6678 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1366
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No