Information card for entry 7212042

Structure parameters

• Formula: C20 H18 La N9 O15
• Calculated formula: C20 H18 La N9 O15
• SMILES: [La]12345([n]6ccc(cc6)c6cc[nH+]cc6)(ON(=[O]4)=O)(ON(=[O]2)=O)(ON(=[O]1)=O)(ON(=[O]3)=O)ON(=[O]5)=O.[nH+]1ccc(cc1)c1ccncc1
• Title of publication: Reversible crystal to crystal transformation of a hydrogen-bonded polymer to another in a solid-gas reaction along with morphology change: nano-particles to nano-rods conversion
• Authors of publication: Khanjani, Somaye; Morsali, Ali; Retailleau, Pascal
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 2173
• a: 11.245 ± 0.002 Å
• b: 18.322 ± 0.003 Å
• c: 13.475 ± 0.002 Å
• α: 90°
• β: 103.161 ± 0.005°
• γ: 90°
• Cell volume: 2703.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No