Information card for entry 7020373

Structure parameters

• Formula: C104 H98 B8 F32 Fe4 N52 O3.5
• Calculated formula: C104 H98 B8 F32 Fe4 N52 O3.5
• 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: 18.5204 ± 0.0003 Å
• b: 27.2996 ± 0.0005 Å
• c: 29.4421 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14885.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1674
• Residual factor for significantly intense reflections: 0.0923
• Weighted residual factors for significantly intense reflections: 0.2181
• Weighted residual factors for all reflections included in the refinement: 0.2546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No