Information card for entry 7101612

Structure parameters

• Formula: C99 H90.5 Cl2 Cu4 N5 O15.25 P4
• Calculated formula: C99 H85 Cl2 Cu4 N5 O15.25 P4
• Title of publication: Metal cages using a bulky phosphonate as a ligand.
• Authors of publication: Baskar, Viswanathan; Shanmugam, Muralidharan; Sañudo, E Carolina; Shanmugam, Maheswaran; Collison, David; McInnes, Eric J L; Wei, Qiang; Winpenny, Richard E P
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 1
• Pages of publication: 37 - 39
• a: 13.62 ± 0.004 Å
• b: 17.079 ± 0.005 Å
• c: 23.954 ± 0.006 Å
• α: 71.616 ± 0.005°
• β: 73.921 ± 0.006°
• γ: 68.045 ± 0.005°
• Cell volume: 4823 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.2107
• Weighted residual factors for all reflections included in the refinement: 0.2315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No