Information card for entry 7007510

Structure parameters

• Formula: C98 H124 Cl2 N4 P4 Zn2
• Calculated formula: C98 H124 Cl2 N4 P4 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: 12.185 ± 0.002 Å
• b: 13.705 ± 0.003 Å
• c: 15.157 ± 0.003 Å
• α: 99.54 ± 0.03°
• β: 95.15 ± 0.03°
• γ: 107.22 ± 0.03°
• Cell volume: 2358.2 ± 1 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: 0.0486
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No