Information card for entry 7020375

Structure parameters

• Formula: C170 H191 Cl16 N85 O72 Zn8
• Calculated formula: C170 H191 Cl16 N85 O72 Zn8
• Title of publication: Self-ordering of metallogrid complexes via directed hydrogen-bonding.
• Authors of publication: Stefankiewicz, Artur R.; Rogez, Guillaume; Harrowfield, Jack; Sobolev, Alexandre N.; Madalan, Augustin; Huuskonen, Juhani; Rissanen, Kari; Lehn, Jean-Marie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 45
• Pages of publication: 13848 - 13855
• a: 24.517 ± 0.005 Å
• b: 19.46 ± 0.004 Å
• c: 24.071 ± 0.005 Å
• α: 90°
• β: 91.5 ± 0.03°
• γ: 90°
• Cell volume: 11480 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1271
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No