Information card for entry 7004451

Structure parameters

• Formula: C60 H84 N56 O24 P4 S4 Zn4
• Calculated formula: C60 H84 N56 O24 P4 S4 Zn4
• Title of publication: A phosphorus-supported multisite coordination ligand containing three imidazolyl arms and its metalation behaviour. An unprecedented co-existence of mononuclear and macrocyclic dinuclear Zn(ii) complexes in the same unit cell of a crystalline lattice
• Authors of publication: Chandrasekhar, Vadapalli; Azhakar, Ramachandran; Pandian, Balasubramanian Murugesa; Boomishankar, Ramamoorthy; Steiner, Alexander
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 43
• Pages of publication: 5962 - 5969
• a: 10.402 ± 0.002 Å
• b: 15.451 ± 0.003 Å
• c: 18.222 ± 0.004 Å
• α: 65.401 ± 0.003°
• β: 86.569 ± 0.004°
• γ: 74.121 ± 0.004°
• Cell volume: 2556.4 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0989
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No