Information card for entry 8101731

Structure parameters

• Chemical name: tetranitropalladato(II)tetrakis[(15-crown-5)sodium] tetranitropalladate(II)
• Formula: C40 H80 N8 Na4 O36 Pd2
• Calculated formula: C40 H80 N8 Na4 O36 Pd2
• SMILES: C1C[O]2CC[O]3[Na]4562([O]2=N([Pd]7(N8=[O]([Na]9%10%11%12([O]%13CC[O]9CC[O]%10CC[O]%11CC[O]%12CC%13)[O]=N7=O)[Na]79%10%11([O]%12CC[O]7CC[O]%10CC[O]%11CC[O]9CC%12)[O]=8)N(=O)=[O][Na]789%102[O]%11CC[O]9CC[O]%10CC[O]7CC[O]8CC%11)=[O]5)[O]1CC[O]4CC[O]6CC3.N(=O)(=O)[Pd](N(=O)=O)(N(=O)=O)N(=O)=O
• Title of publication: Crystal structure of tetranitropalladato(II)tetrakis[(15-crown-5)sodium] tetranitropalladate(II), {[Na(C~10~H~20~O~5~)]~4~Pd(NO~2~)~4~}[Pd (NO~2~)~4~]
• Authors of publication: Y. Liu; D.-C. Li; J.-M. Dou; D.-Q. Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 2
• Pages of publication: 191 - 193
• a: 10.53 ± 0.004 Å
• b: 11.955 ± 0.005 Å
• c: 13.698 ± 0.006 Å
• α: 85.036 ± 0.007°
• β: 74.511 ± 0.006°
• γ: 89.404 ± 0.007°
• Cell volume: 1655.4 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1003
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No