Information card for entry 7018693

Structure parameters

• Formula: C28.5 H32 Cl2 Cu2 N6 O17.5
• Calculated formula: C28.5 H30 Cl2 Cu2 N6 O17.5
• Title of publication: Building blocks for coordination polymers: self-assembled cleft-like and planar discrete metallo-macrocyclic complexes.
• Authors of publication: Abdul-Kadir, Maisara; Hanton, Lyall R.; Sumby, Christopher J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 15
• Pages of publication: 4497 - 4505
• a: 28.939 ± 0.015 Å
• b: 7.388 ± 0.003 Å
• c: 17.88 ± 0.009 Å
• α: 90°
• β: 107.998 ± 0.005°
• γ: 90°
• Cell volume: 3636 ± 3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No