Information card for entry 7212041

Structure parameters

• Formula: C20 H21 La N8 O14
• Calculated formula: C20 H21 La N8 O14
• SMILES: c1cc(cc[n]1[La]1234(ON(=[O]1)=O)(ON(=[O]2)=O)(ON(=[O]3)=O)(ON(=[O]4)=O)([OH2])[OH2])c1ccncc1.c1cc(ccn1)c1cc[nH+]cc1
• 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: 7.2438 ± 0.0005 Å
• b: 18.4781 ± 0.0012 Å
• c: 19.8909 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2662.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0231
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections included in the refinement: 0.0464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No