Information card for entry 4516566

Structure parameters

• Formula: C59 H34 Cd N4 O7
• Calculated formula: C59 H34 Cd N4 O7
• SMILES: C1(=[O][Cd]23([n]4cccc5c4c4c(cc5)ccc[n]24)([n]2c4c(ccc5ccc[n]3c45)ccc2)(O1)OC(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1)c1c2ccc3c4c2c(cc1)ccc4ccc3.O.O.OC
• Title of publication: Luminescent Metal‒Organic Complexes of Pyrene or Anthracene Chromophores: Energy Transfer Assisted Amplified Exciplex Emission and Al3+ Sensing
• Authors of publication: Haldar, Ritesh; Prasad, Komal; Samanta, Pralok Kumar; Pati, Swapan; Maji, Tapas Kumar
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 82
• a: 11.4286 ± 0.0008 Å
• b: 12.8633 ± 0.001 Å
• c: 17.841 ± 0.0013 Å
• α: 110.488 ± 0.004°
• β: 104.772 ± 0.004°
• γ: 91.007 ± 0.004°
• Cell volume: 2359.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No