Information card for entry 7007155

Structure parameters

• Common name: tetrachlorobis(1,10-phenanthroline-5,6-dione)dicopper(ii) acetonitrile clathrate
• Chemical name: tetrachlorobis(1,10-phenanthroline-5,6-dione)dicopper(II) acetonitrile clathrate
• Formula: C14 H9 Cl2 Cu N3 O2
• Calculated formula: C14 H9 Cl2 Cu N3 O2
• Title of publication: Coordination and hydrogen bonded network structures of Cu(II) with mixed ligands: a hybrid hydrogen bonded material, an infinite sandwich arrangement, and a 3-D net.
• Authors of publication: Stephenson, Maria D.; Hardie, Michaele J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 28
• Pages of publication: 3407 - 3417
• a: 8.3147 ± 0.0001 Å
• b: 13.5527 ± 0.0002 Å
• c: 13.4095 ± 0.0002 Å
• α: 90°
• β: 103.696 ± 0.001°
• γ: 90°
• Cell volume: 1468.11 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0575
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No