Information card for entry 4516567

Structure parameters

• Formula: C84 H52 Cd2 N4 O9
• Calculated formula: C84 H52 Cd2 N4 O9
• SMILES: c1[n]2[Cd]34([n]5c6c2c(cc1)ccc6ccc5)([O](C(=O)c1c2c(cccc2)cc2ccccc12)[Cd]1([OH2]3)([n]2cccc3ccc5c(c23)[n]1ccc5)([O]4C(=O)c1c2ccccc2cc2ccccc12)OC(=O)c1c2c(cc3c1cccc3)cccc2)OC(=O)c1c2c(cc3c1cccc3)cccc2
• 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: 22.88 ± 0.0005 Å
• b: 17.8769 ± 0.0004 Å
• c: 17.9672 ± 0.0004 Å
• α: 90°
• β: 113.907 ± 0.001°
• γ: 90°
• Cell volume: 6718.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No