Information card for entry 7011151

Structure parameters

• Formula: C38 H64 N18 Ni O4
• Calculated formula: C38 H64 N18 Ni O4
• SMILES: C1(=O)N[Ni]2(NC(=O)NC(=O)N2)NC(=O)N1.[N+](CC)(CC)(CC)CC.c1(nc(N)nc(n1)N)c1ccccc1.[N+](CC)(CC)(CC)CC.c1(nc(N)nc(N)n1)c1ccccc1
• Title of publication: Modification of supramolecular motifs: some effects of incorporation of metal complexes into supramolecular arrays
• Authors of publication: Michael M. Bishop; Leonard F. Lindoy; Brian W. Skelton; Allan H. White
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 3
• Pages of publication: 377 - 382
• a: 7.836 ± 0.001 Å
• b: 10.007 ± 0.001 Å
• c: 15.239 ± 0.002 Å
• α: 87.349 ± 0.002°
• β: 88.506 ± 0.002°
• γ: 69.232 ± 0.002°
• Cell volume: 1116.1 ± 0.2 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections: 1.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No