Information card for entry 7017990

Structure parameters

• Formula: C204 H118 Cu6 F36 N24 P6 S6
• Calculated formula: C204 H118 Cu6 F36 N24 P6 S6
• Title of publication: Probing solution behaviour of metallosupramolecular complexes using pyrene fluorescence.
• Authors of publication: Cox, Nicola M.; Harding, Lindsay P.; Jones, Jennifer E.; Pope, Simon J. A.; Rice, Craig R.; Adams, Harry
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 5
• Pages of publication: 1568 - 1573
• a: 45.237 ± 0.002 Å
• b: 18.6322 ± 0.001 Å
• c: 23.8739 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20122.5 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1813
• Weighted residual factors for all reflections included in the refinement: 0.2
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No