Information card for entry 7032967

Structure parameters

• Chemical name: H2LDIP
• Formula: C32 H40 Cl3 N3 S2
• Calculated formula: C32 H40 Cl3 N3 S2
• SMILES: ClC(Cl)Cl.S=C(Nc1c(cccc1C(C)C)C(C)C)c1nc(C(=S)Nc2c(cccc2C(C)C)C(C)C)ccc1
• Title of publication: Nitrosyl and carbene iron complexes bearing a κ(3)-SNS thioamide pincer type ligand.
• Authors of publication: Suzuki, Tatsuya; Matsumoto, Jun; Kajita, Yuji; Inomata, Tomohiko; Ozawa, Tomohiro; Masuda, Hideki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 1017 - 1022
• a: 12.089 ± 0.003 Å
• b: 15.277 ± 0.003 Å
• c: 18.575 ± 0.004 Å
• α: 90°
• β: 97.53 ± 0.003°
• γ: 90°
• Cell volume: 3400.9 ± 1.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.1941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No