Information card for entry 7202616

Structure parameters

• Formula: C36 H30 I2 N2 O2 Zn
• Calculated formula: C36 H30 I2 N2 O2 Zn
• SMILES: c1cc(C(c2ccccc2)(O)c2ccccc2)cc[n]1[Zn](I)(I)[n]1ccc(C(c2ccccc2)(O)c2ccccc2)cc1
• Title of publication: Unusual hydrogen bonded (OH)4 tetrahedral nests organize zinc(ii) coordination complexes in a non covalent diamondoid network
• Authors of publication: Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 313
• a: 21.923 ± 0.001 Å
• b: 21.923 ± 0.001 Å
• c: 14.7289 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7079 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.1051
• Residual factor for significantly intense reflections: 0.0989
• Weighted residual factors for significantly intense reflections: 0.2787
• Weighted residual factors for all reflections included in the refinement: 0.2922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.403
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No