Information card for entry 4318748

Structure parameters

• Formula: C20 H26 Cu N10 O11
• Calculated formula: C20 H26 Cu N10 O11
• 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].N(=O)(=O)[O-].N(=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: 19.476 ± 0.003 Å
• b: 9.4116 ± 0.0008 Å
• c: 14.204 ± 0.003 Å
• α: 90°
• β: 107.58 ± 0.02°
• γ: 90°
• Cell volume: 2482 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0656
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No