Information card for entry 2201633

Structure parameters

• Chemical name: (1RS,7RS,8RS,14SR-5,12-Dimethyl-7,14-diphenyl-1,4,8,11- tetraazacyclotetradeca-4,11-diene-N^1^,N^4^,N^8^,N^11^)nickel(II) Perchlorate
• Formula: C24 H32 Cl2 N4 Ni O8
• Calculated formula: C24 H32 Cl2 N4 Ni O8
• SMILES: [Ni]123[NH]4CC[N]1=C(C[C@@H]([NH]2CC[N]3=C(C[C@@H]4c1ccccc1)C)c1ccccc1)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].[Ni]123[NH]4CC[N]1=C(C[C@H]([NH]2CC[N]3=C(C[C@H]4c1ccccc1)C)c1ccccc1)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: [(1<i>RS</i>,7<i>RS</i>,8<i>RS</i>,14<i>RS</i>)-5,12-Dimethyl-7,14-diphenyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene-κ^4^<i>N</i>^1,4,8,11^]nickel(II) perchlorate
• Authors of publication: Neil F. Curtis; David C. Weatherburn
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: m423 - m425
• a: 40.66 ± 0.02 Å
• b: 29.4 ± 0.01 Å
• c: 9.267 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11078 ± 8 ų
• Cell temperature: 158.2 ± 0.2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.76
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No