Information card for entry 2009356

Structure parameters

• Chemical name: cis-dichloro(1,10-phenanthroline)tiourea-acuo-cobalt(II):tiourea
• Formula: C14 H18 Cl2 Co N6 O S2
• Calculated formula: C14 H18 Cl2 Co N6 O S2
• SMILES: [Co]1([n]2cccc3ccc4ccc[n]1c4c23)([OH2])([S]=C(N)N)(Cl)Cl.S=C(N)N
• Title of publication: [Co(phen)(thiourea)(H~2~ O)Cl~2~]^.^thiourea (phen is 1,10-phenanthroline)
• Authors of publication: Suescun, Leopoldo; Mariezcurrena, Raúl A.; Mombrú, Alvaro W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2065 - 2068
• a: 9.719 ± 0.003 Å
• b: 11.682 ± 0.003 Å
• c: 8.7504 ± 0.0013 Å
• α: 92.932 ± 0.014°
• β: 90.434 ± 0.017°
• γ: 85.99 ± 0.02°
• Cell volume: 989.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No