Information card for entry 7101613

Structure parameters

• Formula: C98.75 H85.5 Cl5.5 Co4 N4 O12 P4
• Calculated formula: C98.76 H80 Cl5.52 Co4 N4 O12 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: 14.8919 ± 0.001 Å
• b: 34.184 ± 0.002 Å
• c: 18.7673 ± 0.0013 Å
• α: 90°
• β: 100.746 ± 0.001°
• γ: 90°
• Cell volume: 9386.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No