Information card for entry 1540032

Structure parameters

• Formula: C28.5 H63 Cl2 Cu2 N4 O19 Zn2
• Calculated formula: C28.5 H63 Cl2 Cu2 N4 O19 Zn2
• Title of publication: Directed synthesis of {CuZn} and {CuZn} heterometallic complexes.
• Authors of publication: Heras Ojea, María José; Wilson, Claire; Coles, Simon J.; Tuna, Floriana; Murrie, Mark
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 44
• Pages of publication: 19275 - 19281
• a: 10.9593 ± 0.0012 Å
• b: 13.8454 ± 0.0015 Å
• c: 17.4039 ± 0.0019 Å
• α: 109.186 ± 0.007°
• β: 90.177 ± 0.007°
• γ: 108.009 ± 0.007°
• Cell volume: 2355.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.2216
• Residual factor for significantly intense reflections: 0.1284
• Weighted residual factors for significantly intense reflections: 0.3062
• Weighted residual factors for all reflections included in the refinement: 0.3782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No