Information card for entry 7223238

Structure parameters

• Formula: C52 H30 Gd2 N4 Na2 O21 Zn
• Calculated formula: C52 H30 Gd2 N4 Na2 O21 Zn
• Title of publication: Ameliorated synthetic methodology for crystalline lanthanoid‒metalloporphyrin open frameworks based on a multitopic octacarboxy-porphyrin scaffold: structural, gas sorption and photophysical properties
• Authors of publication: Tripuramallu, Bharat Kumar; Titi, Hatem M.; Roy, Sadipan; Verma, Roli; Goldberg, Israel
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 4
• Pages of publication: 515
• a: 27.631 ± 0.0019 Å
• b: 29.08 ± 0.003 Å
• c: 13.136 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10554.9 ± 1.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1841
• Weighted residual factors for all reflections included in the refinement: 0.1959
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No