Information card for entry 4515017

Structure parameters

• Formula: C24 H36 Cl3 Cr N4
• Calculated formula: C24 H36 Cl3 Cr N4
• SMILES: C1C[NH]2[C@@H](C[C@@H]([NH]3CC[NH]4[C@@H](C[C@@H]([NH]1[Cr]234(Cl)Cl)C)c1ccccc1)C)c1ccccc1.[Cl-]
• Title of publication: Nitric Oxide Uncaging from a Hydrophobic Chromium(III) PhotoNORM: Visible and Near-Infrared Photochemistry in Biocompatible Polymer Disks.
• Authors of publication: Huang, Po-Ju; Garcia, John V.; Fenwick, Aidan; Wu, Guang; Ford, Peter C.
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 5
• Pages of publication: 9181 - 9187
• a: 12.8928 ± 0.0011 Å
• b: 12.8928 ± 0.0011 Å
• c: 13.1562 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1893.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No