Information card for entry 7102451

Structure parameters

• Formula: C32 H36 F12 N4 P2 Pd Se2
• Calculated formula: C32 H36 F12 N4 P2 Pd Se2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Pd]123[NH]4Cc5c([Se]c6c(cccc6)C[NH]1CC[NH]2Cc1c([Se]c2ccccc2C[NH]3CC4)cccc1)cccc5.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Contrasting coordination behaviour of 22-membered chalcogenaaza (Se, Te) macrocylces towards Pd(II) and Pt(II): isolation and structural characterization of the first metallamacrocyle with a C-Pt-Se linkage.
• Authors of publication: Panda, Snigdha; Singh, Harkesh B; Butcher, Ray J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 3
• Pages of publication: 322 - 323
• a: 9.9501 ± 0.0014 Å
• b: 10.501 ± 0.0015 Å
• c: 10.6403 ± 0.0016 Å
• α: 103.622 ± 0.002°
• β: 117.296 ± 0.002°
• γ: 103.042 ± 0.003°
• Cell volume: 885.6 ± 0.2 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No