Information card for entry 7007512

Structure parameters

• Formula: C86 H120 Hg N4 P4
• Calculated formula: C86 H120 Hg N4 P4
• 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: 56.751 ± 0.011 Å
• b: 13.295 ± 0.003 Å
• c: 21.809 ± 0.004 Å
• α: 90°
• β: 102.31 ± 0.03°
• γ: 90°
• Cell volume: 16077 ± 6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 446 ± 2 K
• Number of distinct elements: 5
• 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: 0.0752
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No