Information card for entry 7103957

Structure parameters

• Formula: C146 H172 B9 Cu12 F36 N80 Na O39
• Calculated formula: C144 H80 B8 Cu12 F32 N80 Na O35
• Title of publication: Synthesis, structure and magnetism of a unique dodecanuclearcopper(ii) 'picture frame' held in a 4 × 4 grid-like assembly
• Authors of publication: Matthews, Craig J.; Onions, Stuart T.; Morata, Gérald; Salvia, Margarita Bosch; Elsegood, Mark R. J.; Price, Daniel J.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 3
• Pages of publication: 320 - 321
• a: 21.3049 ± 0.0011 Å
• b: 21.3272 ± 0.0011 Å
• c: 24.7637 ± 0.0013 Å
• α: 75.286 ± 0.002°
• β: 77.638 ± 0.002°
• γ: 65.984 ± 0.002°
• Cell volume: 9862.5 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1395
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2251
• Weighted residual factors for all reflections included in the refinement: 0.2543
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No