Information card for entry 1529414

Structure parameters

• Formula: C9 H18 Cl N6 Ni0.5 O4 S3
• Calculated formula: C9 H18 Cl N6 Ni0.5 O4 S3
• Title of publication: Crystal structure of perchlorate hexakis-(ethylenethiourea) nickel (II)
• Authors of publication: N.N.Golovnev; A.D. Vasiliev; M.S. Molokeev; I.I. Golovneva
• Journal of publication: Izv.Vyssh.Uchebn.Zaved.,Khim.Khim.Tek.(Russ.)(Bull.Colleg.,Chem.,Chem.Technol.)
• Year of publication: 2005
• Journal volume: 48
• Journal issue: 8
• Pages of publication: 134 - 136
• a: 7.8691 ± 0.0005 Å
• b: 25.946 ± 0.002 Å
• c: 8.2833 ± 0.0003 Å
• α: 90°
• β: 95.394 ± 0.004°
• γ: 90°
• Cell volume: 1683.73 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.2032
• Weighted residual factors for all reflections included in the refinement: 0.2084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.479
• Diffraction radiation wavelength: 1.54059 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes