Information card for entry 4333200

Structure parameters

• Formula: C74 H54 Co2 Cu6 I16 N12 O Pb3
• Calculated formula: C73.98 H54.06 Co2 Cu6 I16 N12 O0.99 Pb3
• Title of publication: Layered Heterometallic Iodoplumbate Containing a Novel Pb3Cu6I16Net: Structure and Optical Properties
• Authors of publication: Burns, Michael C.; Tershansy, Meredith A.; Ellsworth, Joseph M.; Khaliq, Zeeshan; Peterson, LeRoy; Smith, Mark D.; zur Loye, Hans-Conrad
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10437 - 10439
• a: 14.7797 ± 0.0003 Å
• b: 14.7797 ± 0.0003 Å
• c: 25.3168 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4789.3 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 8
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No