Information card for entry 4337333

Structure parameters

• Formula: C22 H36 Cl4 N8 Ni2 O8
• Calculated formula: C22 H36 Cl4 N8 Ni2 O8
• SMILES: c12cccc3[n]1[Ni]145([NH](CC[NH]4C3)CC[NH]1C2)[Cl][Ni]123([NH]4Cc6cccc([n]36)C[NH]2CC[NH]1CC4)[Cl]5.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Structural, Spectral, and Electrochemical Properties of Nickel(II), Copper(II), and Zinc(II) Complexes Containing 12-Membered Pyridine- and Pyridol-Based Tetra-aza Macrocycles.
• Authors of publication: Lincoln, Kimberly M.; Offutt, Michael E.; Hayden, Travis D.; Saunders, Ryker E.; Green, Kayla N.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1406 - 1416
• a: 7.1569 ± 0.0004 Å
• b: 18.7039 ± 0.001 Å
• c: 11.3004 ± 0.0006 Å
• α: 90°
• β: 97.055 ± 0.002°
• γ: 90°
• Cell volume: 1501.24 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No