Information card for entry 7017401

Structure parameters

• Formula: C115 H163 Ba Cu4 N8 O22
• Calculated formula: C105 H118 Ba Cu4 N8 O14
• Title of publication: Double template effect in [4 + 4] Schiff base macrocycle formation; an ESI-MS study.
• Authors of publication: Barreira-Fontecha, Julia; Kulmaczewski, Rafal; Ma, Xiaomei; McKee, Vickie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12040 - 12043
• a: 41.415 ± 0.009 Å
• b: 42.163 ± 0.009 Å
• c: 28.256 ± 0.006 Å
• α: 90°
• β: 101.949 ± 0.003°
• γ: 90°
• Cell volume: 48271 ± 18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1665
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for significantly intense reflections: 0.2658
• Weighted residual factors for all reflections included in the refinement: 0.2936
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.8464 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No