Information card for entry 7250855

Structure parameters

• Common name: (2,2,2-cryptand)-sodium bis(cyanato)[5,10,15,20-tetraphenylporphyrinato]chromate(III) chloroform solvate
• Chemical name: (2,2,2-cryptand)-sodium bis(cyanato)[5,10,15,20-tetraphenylporphyrinato]chromate(III) chloroform solvate
• Formula: C64.41 H64.41 Cl1.22 Cr N8 Na O8
• Calculated formula: C64.406 H64.406 Cl1.218 Cr N8 Na O8
• Title of publication: Synthesis, spectroscopic properties, structural characterization, and computational studies of a new non-centrosymmetric hybrid compound: bis-cyanato-N chromium(iii) meso-arylporphyrin complex
• Authors of publication: Dhifet, Mondher; Benzerroug, Nabil; Almutairi, Tahani M.; Alomari, Khadra B.; Tumanov, Nikolay; Issaoui, Noureddine
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 40
• Pages of publication: 33410 - 33426
• a: 12.9467 ± 0.0012 Å
• b: 16.0849 ± 0.0015 Å
• c: 17.0355 ± 0.0016 Å
• α: 63.553 ± 0.003°
• β: 69.614 ± 0.003°
• γ: 71.15 ± 0.003°
• Cell volume: 2917.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No