Information card for entry 4318747

Structure parameters

• Formula: C21 H28 Cl Co N10 O4
• Calculated formula: C21 H28 Cl Co N10 O4
• SMILES: [Co]12345[n]6[nH]c(C)cc6C=[N]1CCN(CC[N]3=Cc1n2nc(C)c1)CC[N]5=Cc1n4nc(C)c1.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: 21.293 ± 0.003 Å
• b: 12.724 ± 0.002 Å
• c: 19.777 ± 0.004 Å
• α: 90°
• β: 93.03 ± 0.02°
• γ: 90°
• Cell volume: 5350.7 ± 1.6 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: 0.1033
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1892
• Weighted residual factors for all reflections included in the refinement: 0.2142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No