Information card for entry 4331000

Structure parameters

• Formula: C152 H112 Br16 N40 O16 Zn12
• Calculated formula: C152 H112 Br16 N40 O16 Zn12
• Title of publication: Series of Dicyanamide-Interlaced Assembly of Zinc-Schiff-Base Complexes: Crystal Structure and Photophysical and Thermal Studies
• Authors of publication: Monami Maiti; Dipali Sadhukhan; Santarupa Thakurta; Syamantak Roy; Guillaume Pilet; Ray J. Butcher; Aline Nonat; Loïc J. Charbonnière; Samiran Mitra
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12176 - 12187
• a: 32.349 ± 0.005 Å
• b: 27.916 ± 0.005 Å
• c: 18.025 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16278 ± 6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections: 0.123
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0408
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No