Information card for entry 4312192

Structure parameters

• Formula: C32 H36 N4 Se2
• Calculated formula: C32 H36 N4 Se2
• SMILES: [Se]1c2ccccc2CNCCNCc2c([Se]c3ccccc3CNCCNCc3c1cccc3)cccc2
• Title of publication: Synthesis and Structure of Mercurous Ion and Dinuclear Lead(II) Complexes of the 28-Membered Selenaaza Macrocycle: Dominance of the Chelate Ring Size Effect and Conformational Requirement over Soft-Soft Interactions
• Authors of publication: Snigdha Panda; Harkesh B. Singh; Ray J. Butcher
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8532 - 8537
• a: 16.3985 ± 0.0014 Å
• b: 5.0714 ± 0.0004 Å
• c: 18.2454 ± 0.0015 Å
• α: 90°
• β: 104.483 ± 0.001°
• γ: 90°
• Cell volume: 1469.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No