Information card for entry 4500841

Structure parameters

• Formula: C33 H37 N3 Nd2 O22
• Calculated formula: C33 H37 N3 Nd2 O22
• Title of publication: Coordination Polymers of 5-(2-Amino/Acetamido-4-carboxyphenoxy)-benzene-1,3-dioic Acids with Transition Metal Ions: Synthesis, Structure, and Catalytic Activity
• Authors of publication: Karmakar, Anirban; Titi, Hatem M.; Goldberg, Israel
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 2621
• a: 9.5211 ± 0.0004 Å
• b: 9.9835 ± 0.0004 Å
• c: 11.4843 ± 0.0005 Å
• α: 96.342 ± 0.002°
• β: 97.063 ± 0.002°
• γ: 111.763 ± 0.0019°
• Cell volume: 991.6 ± 0.07 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No