Information card for entry 2012518

Structure parameters

• Chemical name: Bis(ethylenediamine)copper(II) bis(O,O'-diethyl dithiophosphato-S,S')
• Formula: C12 H36 Cu N4 O4 P2 S4
• Calculated formula: C12 H36 Cu N4 O4 P2 S4
• SMILES: C1C[NH2][Cu]2([NH2]1)[NH2]CC[NH2]2.P(=S)(OCC)(OCC)[S-].C(C)OP(OCC)(=S)[S-]
• Title of publication: Bis(ethylenediamine)copper(II) bis(<i>O</i>,<i>O</i>'-diethyl dithiophosphate)
• Authors of publication: Fun, Hoong-Kun; Hao, Qingli; Ma, Haibo; Yang, Xujie; Lu, Lude; Wang, Xin; Chantrapromma, Suchada; Razak, Ibrahim Abdul; Usman, Anwar
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: m87 - m88
• a: 14.6683 ± 0.0003 Å
• b: 6.9409 ± 0.0001 Å
• c: 13.5889 ± 0.0001 Å
• α: 90°
• β: 111.157 ± 0.001°
• γ: 90°
• Cell volume: 1290.25 ± 0.03 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes