Information card for entry 7706660

Structure parameters

• Formula: C52 H60 Cl2 N12 O10 Zn2
• Calculated formula: C52 H60 Cl2 N12 O10 Zn2
• Title of publication: Anion and solvent controlled growth of crystalline and amorphous zinc(ii) coordination polymers and a molecular complex.
• Authors of publication: Deville, Claire; Jeppesen, Henrik S.; McKee, Vickie; Lock, Nina
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 3979 - 3989
• a: 8.8946 ± 0.0008 Å
• b: 11.6045 ± 0.0008 Å
• c: 13.7282 ± 0.0009 Å
• α: 93.542 ± 0.006°
• β: 100.835 ± 0.007°
• γ: 95.115 ± 0.007°
• Cell volume: 1381.71 ± 0.19 ų
• Cell temperature: 100.01 ± 0.14 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1375
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No