Information card for entry 7200805

Structure parameters

• Common name: iodobis(1,10-phenanthroline)copper(ii) phenylsulphonate dihydrate
• Chemical name: iodobis(1,10-phenanthroline)copper(II) phenylsulphonate dihydrate
• Formula: C30 H25 Cu I N4 O5 S
• Calculated formula: C30 H23 Cu I N4 O5 S
• Title of publication: Synthesis of supramolecular metallo-amine-oxy acid systems via crystal disassembly/reassembly
• Authors of publication: Latham, Kay; Mensforth, Emily J.; Rix, Colin J.; White, Jonathan M.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1343
• a: 23.6321 ± 0.0003 Å
• b: 7.3338 ± 0.0001 Å
• c: 16.9532 ± 0.0002 Å
• α: 90°
• β: 104.131 ± 0.001°
• γ: 90°
• Cell volume: 2849.3 ± 0.06 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No