Information card for entry 7202614

Structure parameters

• Formula: C36 H30 Cl2 N2 O2 Zn
• Calculated formula: C36 H30 Cl2 N2 O2 Zn
• SMILES: Cl[Zn]([n]1ccc(C(O)(c2ccccc2)c2ccccc2)cc1)([n]1ccc(C(O)(c2ccccc2)c2ccccc2)cc1)Cl
• 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: 15.748 ± 0.003 Å
• b: 15.748 ± 0.003 Å
• c: 12.706 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3151.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.1184
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No