Information card for entry 7007514

Structure parameters

• Formula: C80 H106 Hg N4 P4 S2
• Calculated formula: C80 H106 Hg N4 P4 S2
• Title of publication: Zinc complexes of anionic NPPN and NP(S)PN ligands and rearrangement to the isomeric NPNP and NP(S)NP ligands in mercury complexes.
• Authors of publication: Copsey, May C.; Chivers, Tristram
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 34
• Pages of publication: 4114 - 4123
• a: 48.827 ± 0.01 Å
• b: 17.09 ± 0.003 Å
• c: 24.266 ± 0.005 Å
• α: 90°
• β: 115.03 ± 0.03°
• γ: 90°
• Cell volume: 18347 ± 8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No