Information card for entry 7711356

Structure parameters

• Formula: C29 H26 Cl2 Cu N4
• Calculated formula: C29 H26 Cl2 Cu N4
• SMILES: [Cu]12(Cl)(Cl)[n]3c(cccc3)C3N(Cc4c5c(cc6c4cccc6)cccc5)CC[N]23Cc2[n]1cccc2
• Title of publication: Investigating the Photosensitivity of Koneramines for Cell Imaging and Therapeutic Applications
• Authors of publication: Ghosh, Suchismita; Akhir, Abdul; Saxena, Deepanshi; Singh, Sneha; Sri, Sivakumar; Chopra, Sidharth; Angamuthu, Raja
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 8.949 ± 0.0009 Å
• b: 21.114 ± 0.002 Å
• c: 13.2684 ± 0.0013 Å
• α: 90°
• β: 93.251 ± 0.003°
• γ: 90°
• Cell volume: 2503 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0681
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.283
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No