Information card for entry 7002178

Structure parameters

• Formula: C148 H186 B2 N16 Ni4 O8 S4
• Calculated formula: C148 H186 B2 N16 Ni4 O8 S4
• Title of publication: Ternary complexes composed of naphthalene diimides and binucleating metallocavitands: preparation, characterisation and structure of [(Ni2L)2(NDI)][BPh4]2
• Authors of publication: Lee, Katrina A.; Lozan, Vasile; Langford, Steven J.; Kersting, Berthold
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 36
• Pages of publication: 7481 - 7485
• a: 14.0287 ± 0.0011 Å
• b: 16.6371 ± 0.0016 Å
• c: 18.5087 ± 0.0016 Å
• α: 100.928 ± 0.007°
• β: 109.095 ± 0.006°
• γ: 94.584 ± 0.007°
• Cell volume: 3961 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0886
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No