Information card for entry 7007509

Structure parameters

• Formula: C91 H131 N4 P4 S2 Zn2
• Calculated formula: C91 H131 N4 P4 S2 Zn2
• 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: 12.576 ± 0.003 Å
• b: 19.155 ± 0.004 Å
• c: 20.483 ± 0.004 Å
• α: 112.34 ± 0.03°
• β: 99.04 ± 0.03°
• γ: 90.96 ± 0.03°
• Cell volume: 4491 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1508
• 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: No
• Has Fobs: No