Information card for entry 7060436

Structure parameters

• Formula: C24 H27 Cr N4 O15.5 V
• Calculated formula: C24 H27 Cr N4 O15.5 V
• SMILES: c1cccc2c3cccc[n]3[Cr]3([n]12)([n]1ccccc1c1cccc[n]31)(O[V]12(=O)(OC(=O)C(=O)O1)OC(=O)C(=O)O2)[OH2].O.O.O.O.O
• Title of publication: Targeted synthesis of a CrIII–O–VV core oxo-bridged complex: spectroscopic, magnetic and electrical properties
• Authors of publication: Androš Dubraja, Lidija; Žilić, Dijana; Olujić, Kristina; Pavić, Luka; Molčanov, Krešimir; Pajić, Damir
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6336 - 6343
• a: 12.4561 ± 0.0006 Å
• b: 17.139 ± 0.0005 Å
• c: 13.9847 ± 0.0007 Å
• α: 92.281 ± 0.003°
• β: 81.867 ± 0.004°
• γ: 96.178 ± 0.003°
• Cell volume: 2937.4 ± 0.2 ų
• Cell temperature: 109 ± 2 K
• Ambient diffraction temperature: 109 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.2115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No