Information card for entry 4339262

Structure parameters

• Formula: C92 H76 Cl4 N8 Ni O12
• Calculated formula: C92 H76 Cl4 N8 Ni O12
• SMILES: [Ni]123n4c5=C6c7[n]3c(=C(c3n2c(C2=c8[n]1c(C(=c4cc5)c1ccccc1NC(=O)c1cccc(c1)CC(Cc1cccc(C(=O)Nc4c2cccc4)c1)(C(=O)OCC)C(=O)OCC)cc8)cc3)c1ccccc1NC(=O)c1cccc(c1)CC(Cc1cccc(C(=O)Nc2c6cccc2)c1)(C(=O)OCC)C(=O)OCC)cc7.ClCCl.ClCCl
• Title of publication: Structural and coordination studies of "pearl oysterlike" porphyrins.
• Authors of publication: Halime, Zakaria; Lachkar, Mohammed; Roisnel, Thierry; Richard, Philippe; Boitrel, Bernard
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 6338 - 6346
• a: 12.6081 ± 0.0012 Å
• b: 14.1098 ± 0.0014 Å
• c: 24.181 ± 0.002 Å
• α: 77.743 ± 0.005°
• β: 75.776 ± 0.004°
• γ: 70.863 ± 0.005°
• Cell volume: 3898.4 ± 0.6 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No