Information card for entry 7114331

Structure parameters

• Formula: C32 H46 Cl4 N8 Ni2 O23 S4
• Calculated formula: C32 H40 Cl4 N8 Ni2 O23 S4
• Title of publication: A new class of macrocyclic complexes formed via nickel-promoted macrocyclisation of dioxime with dinitrile
• Authors of publication: Pavlishchuk, Vitaly V.; Kolotilov, Sergey V.; Addison, Anthony W.; Prushan, Michael J.; Butcher, Raymond J.; Thompson, Laurence K.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 5
• Pages of publication: 468
• a: 11.9847 ± 0.0002 Å
• b: 12.1783 ± 0.0002 Å
• c: 19.8496 ± 0.0004 Å
• α: 99.031 ± 0.001°
• β: 100.509 ± 0.001°
• γ: 104.562 ± 0.001°
• Cell volume: 2693.67 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.2157
• Weighted residual factors for all reflections included in the refinement: 0.2358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No