Information card for entry 7007925

Structure parameters

• Formula: C30 H46 N6 O16 Zn2
• Calculated formula: C30 H46 N6 O16 Zn2
• SMILES: c12cccc3C[N]45CC#CC[N]67Cc8cccc9C[N]%10(CC#CC[N]%11([Zn]5([n]13)(OC(=O)C4)([OH2])OC(=O)C%11)C2)CC(=O)O[Zn]7%10(OC(=O)C6)([n]89)[OH2].O.O.O.O.O.O
• Title of publication: Synthesis of a novel dinucleating aminocarboxylate macrocycle and structures of its dinuclear complexes with di- and trivalent transition and lanthanide metal ions.
• Authors of publication: Brunner, Jens; Pritzkow, Hans; Krämer, Roland
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 2
• Pages of publication: 338 - 343
• a: 21.247 ± 0.003 Å
• b: 9.8783 ± 0.0014 Å
• c: 18.99 ± 0.003 Å
• α: 90°
• β: 109.515 ± 0.003°
• γ: 90°
• Cell volume: 3756.7 ± 1 ų
• Cell temperature: 106 ± 2 K
• Ambient diffraction temperature: 106 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No