Information card for entry 7022739

Structure parameters

• Formula: C68 H88 Cl6 Mg6 N6 O8
• Calculated formula: C68 H88 Cl6 Mg6 N6 O8
• Title of publication: Functionalized imido-bridged Ti(IV) complexes as new building blocks for supramolecular arrangements: generation of a 1D structure through a Mg-Cl···I-C halogen bonding interaction.
• Authors of publication: Vidal, Fernando; Dávila, Ma Angeles; San Torcuato, Ainhoa; Gómez-Sal, Pilar; Mosquera, Marta E. G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 19
• Pages of publication: 7074 - 7084
• a: 11.335 ± 0.006 Å
• b: 13.003 ± 0.007 Å
• c: 14.395 ± 0.007 Å
• α: 102.91 ± 0.04°
• β: 110.22 ± 0.04°
• γ: 97.29 ± 0.04°
• Cell volume: 1891.6 ± 1.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.122
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No