Information card for entry 4308419

Structure parameters

• Formula: C25 H75 Br6 Cd Cu4 N11 O12
• Calculated formula: C25 H73 Br6 Cd Cu4 N11 O12
• Title of publication: High-Frequency, High-Field EPR; Magnetic Susceptibility; and X-ray Studies on a Ferromagnetic Heterometallic Complex of Diethanolamine (H2L), [Cu4(NH3)4(HL)4][CdBr4]Br2·3dmf·H2O
• Authors of publication: Buvaylo, Elena A.; Kokozay, Vladimir N.; Vassilyeva, Olga Yu.; Skelton, Brian W.; Jezierska, Julia; Brunel, Louis C.; Ozarowski, Andrew
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 206 - 216
• a: 14.876 ± 0.003 Å
• b: 33.018 ± 0.006 Å
• c: 11.437 ± 0.002 Å
• α: 90°
• β: 108.182 ± 0.003°
• γ: 90°
• Cell volume: 5337.1 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections: 1.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No