Information card for entry 7110598

Structure parameters

• Formula: C134 H220 N8 Na4 Nd2 O22
• Calculated formula: C134 H220 N8 Na4 Nd2 O22
• SMILES: c12C(CC)(CC)[c]34[n]5[c]6([cH]7[cH]38)C(CC)(CC)c3n9[Nd]%10%11%12%13%14%1545678([c]4([n]%12[c]%10([cH]%14[cH]4%15)C(c9cc3)(CC)CC)C(c(cc1)n2%13)(CC)CC)[CH2]1[CH2]%11[Nd]23456789%10%11%121[c]1%13[n]5[c]2([cH]3[cH]9%13)C(CC)(CC)c2n6c(cc2)C([c]28[n]7[c]%10([cH]%11[cH]2%12)C(c2ccc(C1(CC)CC)n42)(CC)CC)(CC)CC.O1CCCC1.[Na]([O]1CCCC1)[O]1CCCC1.[Na]([O]1CCCC1)[O]1CCCC1.[Na]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)([O]1CCCC1)[O]1CC[O](CC1)[Na]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)[O]1CCCC1
• Title of publication: Lanthanide organometallic chemistry based on the porphyrinogen skeleton: acetylene and ethylene bridging praseodymium and neodymium η5:η1:η5:η1-bonded to meso-octaethylporphyrinogen
• Authors of publication: Campazzi, Elisa; Solari, Euro; Scopelliti, Rosario; Floriani, Carlo
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 17
• Pages of publication: 1617
• a: 15.53 ± 0.003 Å
• b: 15.847 ± 0.004 Å
• c: 16.647 ± 0.005 Å
• α: 113.08 ± 0.03°
• β: 111.51 ± 0.02°
• γ: 95.86 ± 0.02°
• Cell volume: 3359 ± 2 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.1045
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.2253
• Weighted residual factors for all reflections included in the refinement: 0.2489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No