Information card for entry 2241512

Structure parameters

• Chemical name: Tris(μ-bis{4-[(pyridin-2-ylmethylidene)amino]phenyl}methane-κ^4^<i>N</i>,<i>N</i>':<i>N</i>'',<i>N</i>''') tetrakis(tetrafluoridoborate) acetonitrile trisolvate
• Formula: C81 H69 B4 F16 N15 Zn2
• Calculated formula: C81 H69 B4 F16 N15 Zn2
• Title of publication: Crystal structure of tris(μ-bis{4-[(pyridin-2-ylmethylidene)amino]phenyl}methane-κ^4^<i>N</i>,<i>N</i>':<i>N</i>'',<i>N</i>''')dizinc tetrakis(tetrafluoridoborate) acetonitrile trisolvate
• Authors of publication: Alexandru, Maria-Gabriela; Dumitru, Florina
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: m271 - m272
• a: 54.177 ± 0.004 Å
• b: 13.6929 ± 0.0009 Å
• c: 21.9343 ± 0.0014 Å
• α: 90°
• β: 95.713 ± 0.001°
• γ: 90°
• Cell volume: 16190.9 ± 1.9 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1595
• Residual factor for significantly intense reflections: 0.1155
• Weighted residual factors for significantly intense reflections: 0.1956
• Weighted residual factors for all reflections included in the refinement: 0.2141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes