Information card for entry 4511800

Structure parameters

• Formula: C45 H29 Br4 Cl3 N4 O8 Zn2
• Calculated formula: C45 H29 Br4 Cl3 N4 O8 Zn2
• Title of publication: Host‒Guest Chemistry of 1D Suprachannels and Dihalomethane Molecules: Metallacyclodimeric Ensembles Consisting of Zinc(II)-2,7-bis(nicotinoyloxy)naphthalene Complexes
• Authors of publication: Park, Minwoo; Kim, Hyeun; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 4461
• a: 8.3082 ± 0.0002 Å
• b: 9.5031 ± 0.0002 Å
• c: 15.9217 ± 0.0003 Å
• α: 84.604 ± 0.001°
• β: 89.685 ± 0.001°
• γ: 84.055 ± 0.001°
• Cell volume: 1244.76 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0658
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No