Information card for entry 4318474

Structure parameters

• Formula: C29 H27 Cl3 N5 O3 Zn1.5
• Calculated formula: C29 H27 Cl3 N5 O3 Zn1.5
• Title of publication: A Periodic Walk: A Series of First-Row Transition Metal Complexes with the Pentadentate Ligand PY5
• Authors of publication: Robertus J. M. Klein Gebbink; Robert T. Jonas; Christian R. Goldsmith; T. Daniel P. Stack
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4633 - 4641
• a: 10.7075 ± 0.0003 Å
• b: 14.573 ± 0.0002 Å
• c: 18.7159 ± 0.0005 Å
• α: 90°
• β: 93.648 ± 0.001°
• γ: 90°
• Cell volume: 2914.52 ± 0.12 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 175 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: 0.1642
• Weighted residual factors for all reflections: 0.191
• Goodness-of-fit parameter for all reflections: 1.678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.68
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No