Information card for entry 1546809

Structure parameters

• Formula: C60 H40 Fe4 N12 O16
• Calculated formula: C60 H40 Fe4 N12 O16
• SMILES: [Fe]12345Oc6ccccc6C(=[N]4N=C4[O]1[Fe]167(Oc8ccccc8C(=[N]6N=C6[O]1[Fe]189(Oc%10ccccc%10C(=[N]8N=C8[O]1[Fe]1%10%11(Oc%12ccccc%12C(=[N]%10N=C([O]31)c1[n]5c(ccc1)C(=O)O2)C)OC(=O)c1[n]%11c8ccc1)C)OC(=O)c1[n]9c6ccc1)C)OC(=O)c1[n]7c4ccc1)C
• Title of publication: Valence directed binding mode of [2 × 2] iron grids of an unsymmetrical picolinic hydrazone based ligand
• Authors of publication: Hossain, Sayed Muktar; Lakma, Avinash; Pradhan, Rabindra Nath; Demeshko, Serhiy; Singh, Akhilesh Kumar
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 37
• Pages of publication: 12612 - 12618
• a: 15.0581 ± 0.0011 Å
• b: 15.0581 ± 0.0011 Å
• c: 12.1751 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2760.7 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.1641
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No