Information card for entry 4318749

Structure parameters

• Formula: C20 H26 Cl2 Cu N8 O13
• Calculated formula: C20 H26 Cl2 Cu N8 O13
• SMILES: Cc1cc2C(O)n3c(C)cc4[n]3[Cu]35([n]2n1C(c1cc(C)n(C(c2cc(C)n([n]32)C4O)O)[n]51)O)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Novel Copper(II) Induced Formation of a Porphyrinogen Derivative: X-ray Structural, Spectroscopic, and Electrochemical Studies of Porphyrinogen Complexes of Cu(II) and Co(III) Complex of a Trispyrazolyl Tripodal Ligand
• Authors of publication: Sachindranath Paul; Anil Kumar Barik; Shie Ming Peng; Susanta Kumar Kar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5803 - 5809
• a: 20.967 ± 0.003 Å
• b: 9.1563 ± 0.0018 Å
• c: 14.858 ± 0.004 Å
• α: 90°
• β: 108.44 ± 0.03°
• γ: 90°
• Cell volume: 2706 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No