Information card for entry 7101860

Structure parameters

• Common name: tetra(rctt-1,2-bis(2-pyridyl)-3,4-bis(3-pyridyl)cyclobutane copper(ii) nitrate) hydrate acetonitrile 1/13.5/1
• Chemical name: tetra[rctt-1,2-bis(2-pyridyl)-3,4-bis(3-pyridyl)cyclobutane copper(II) nitrate] hydrate acetonitrile 1/13.5/1
• Formula: C98 H118 Cu4 N25 O41.5
• Calculated formula: C98 H83 Cu4 N25 O41.5
• Title of publication: Coding a coordination-driven self-assembly via a hydrogen bond-directed solid-state synthesis: an unexpected chiral tetrahedral capsule.
• Authors of publication: Hamilton, Tamara D; Bucar, Dejan-Kresimir; MacGillivray, Leonard R
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 16
• Pages of publication: 1603 - 1604
• a: 15.1205 ± 0.0015 Å
• b: 16.2501 ± 0.0016 Å
• c: 25.15 ± 0.003 Å
• α: 104.966 ± 0.005°
• β: 100.672 ± 0.005°
• γ: 105.931 ± 0.005°
• Cell volume: 5518.3 ± 1 ų
• Cell temperature: 190 ± 1 K
• Ambient diffraction temperature: 190 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1234
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.214
• Weighted residual factors for all reflections included in the refinement: 0.2428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No