Information card for entry 7115727

Structure parameters

• Chemical name: Bis-(2-ferrocenyl-9-mesityl-1,10-phenanthroline-N,N') copper(i)hexafluorophosphate dichloromethane solvate diethyl ether hemisolvate.
• Formula: C130 H118 Cl4 Cu2 F12 Fe4 N8 O P2
• Calculated formula: C130 H118 Cl4 Cu2 F12 Fe4 N8 O P2
• Title of publication: A six-component metallosupramolecular pentagon via self-sorting
• Authors of publication: Manik Lal Saha; Nikita Mittal; Jan W. Bats; Michael Schmittel
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 12189
• a: 13.306 ± 0.0011 Å
• b: 15.0432 ± 0.0012 Å
• c: 16.3418 ± 0.0014 Å
• α: 105.93 ± 0.001°
• β: 93.409 ± 0.001°
• γ: 112.27 ± 0.001°
• Cell volume: 2861.3 ± 0.4 ų
• Cell temperature: 192 ± 2 K
• Ambient diffraction temperature: 192 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2006
• Residual factor for significantly intense reflections: 0.0986
• Weighted residual factors for significantly intense reflections: 0.18
• Weighted residual factors for all reflections included in the refinement: 0.2221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No