Information card for entry 4509143

Structure parameters

• Formula: C30 H50 N8 O11 Zn2
• Calculated formula: C30 H50 N8 O11 Zn2
• SMILES: [Zn]1(OC(=O)C)([n]2c(c(c([nH]2)C)Cc2c([n]([Zn](OC(=O)C)(OC(=O)C)[n]3[nH]c(C)c(c3C)Cc3c([n]1[nH]c3C)C)[nH]c2C)C)C)OC(=O)C.O.O.O
• Title of publication: Influence of Anion on the Coordination Mode of a Flexible Neutral Ligand in Zn(II) Complexes: From Discrete Zero-Dimensional to Infinite 1D Helical Chains, 2D Nanoporous Bilayer Networks, and 3D Interpenetrated Metal−Organic Frameworks
• Authors of publication: Mondal, Raju; Basu, Tannistha; Sadhukhan, Dipali; Chattopadhyay, Tanmay; Bhunia, Manas kumar
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 1095
• a: 12.7651 ± 0.0012 Å
• b: 12.9336 ± 0.0012 Å
• c: 22.579 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3727.8 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.217
• Weighted residual factors for all reflections included in the refinement: 0.2346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No