Information card for entry 7007463

Structure parameters

• Formula: C52 H84 F12 N14 Ni4 O8 Rh2 S8
• Calculated formula: C52 H84 F12 N12 Ni4 O8 Rh2 S8
• Title of publication: NiN(2)S(2) complexes as metallodithiolate ligands to Rh(I), Rh(II) and Rh(III).
• Authors of publication: Jeffery, Stephen P.; Green, Kayla N.; Rampersad, Marilyn V.; Reibenspies, Joseph H.; Darensbourg, Marcetta Y.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 35
• Pages of publication: 4244 - 4252
• a: 12.611 ± 0.003 Å
• b: 12.738 ± 0.003 Å
• c: 13.248 ± 0.003 Å
• α: 102.397 ± 0.004°
• β: 94.325 ± 0.004°
• γ: 118.55 ± 0.004°
• Cell volume: 1786 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No