Information card for entry 7122133

Structure parameters

• Formula: C129 H75 Ag3 Fe3 N18
• Calculated formula: C129 H75 Ag3 Fe3 N18
• Title of publication: Metal coordination induced ring contraction of porphyrin derivatives.
• Authors of publication: Patra, Bratati; Sobottka, Sebastian; Mondal, Sruti; Sarkar, Biprajit; Kar, Sanjib
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 71
• Pages of publication: 9945 - 9948
• a: 18.4767 ± 0.0006 Å
• b: 18.7775 ± 0.0007 Å
• c: 19.617 ± 0.0005 Å
• α: 99.222 ± 0.002°
• β: 104.379 ± 0.002°
• γ: 117.221 ± 0.004°
• Cell volume: 5558.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No