Information card for entry 7000209

Structure parameters

• Common name: Zn((pz)2CArO)Cl
• Chemical name: Zn((pz)2CArO)Cl
• Formula: C25 H35 Cl N4 O Zn
• Calculated formula: C25 H35 Cl N4 O Zn
• SMILES: [Zn]12(Cl)Oc3c(C(n4[n]1c(cc4C)C)n1[n]2c(cc1C)C)cc(cc3C(C)(C)C)C(C)(C)C
• Title of publication: Sodium, magnesium and zinc complexes of mono(phenolate) heteroscorpionate ligands
• Authors of publication: Schofield, A. Daniel; Barros, Mariana Luna; Cushion, Michael G.; Schwarz, Andrew D.; Mountford, Philip
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 1
• Pages of publication: 85 - 96
• a: 9.819 ± 0.0001 Å
• b: 23.2485 ± 0.0003 Å
• c: 11.1125 ± 0.0001 Å
• α: 90°
• β: 94.5044 ± 0.0006°
• γ: 90°
• Cell volume: 2528.89 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0496
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for all reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0317
• Weighted residual factors for all reflections included in the refinement: 0.0317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1216
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No