View EntryDate of entry : 19/02/2015

Lanthanide(III)/Pyrimidine-4,6-dicarboxylate/Oxalate Extended Frameworks: A
Detailed Study Based on the Lanthanide Contraction and Temperature Effects

Javier Cepeda, ; Rolindes Balda, ; Garikoitz Beobide, ; Oscar Castillo, ; Joaquin Fernandez, ; Antonio Luque, ; Sonia Perez-Yañez, ; Pascual Roman, ; Daniel Vallejo-Sanchez, Inorganic Chemistry 50 8437 - 8451 (2011)

[ B-IncStrDB ID: 10362EyGhBk ]
Submitted by : Samuel [UPV/EHU]CIF File


Chemical Properties

Structural Formula Sum: C7 H10.66 Dy N2 O10.33   [Help]
Structural Formula: C7 H6 Dy N2 O8, 2.33(H2O)   [Help]
Weight: 450.61 Daltons  [Help]

  •  Additional Chemical Information   

Crystallographic Properties

a: 9.65(4) Å  [Help]
b: 15.845(5) Å  [Help]
c: 7.955(3) Å  [Help]
α: 90 °  [Help]
β: 96.555(4) °  [Help]
γ: 90 °  [Help]
Volume: 1208.4(1) Å3  [Help]
Crystal System: monoclinic   [Help]
Space Group Name: P21/n(α0γ)0s   [Help]
Number of Formula Units: 4   [Help]

  •  Additional Crystal Information   

Experimental Data

Absorption_coeff_μ: 6.267 &mm;  [Help]
Description of the crystal: rectangular prism   [Help]
Absorption-correction type: numerical   [Help]
Minimum transmission factor: 0.159   [Help]
Maximum transmission factor: 0.545   [Help]
Intensity Measure Temperature: 100(2) K  [Help]
Radiation Type: Mo Kα   [Help]
Radiation Wavelength: 0.71073 Å  [Help]
Radiation source: fine-focus sealed tube   [Help]
Intensities measure method: ω   [Help]
Total measured intensities #: 23630   [Help]

  •  Additional Experimental Information   

Refinement Properties

Total # of reflections: 8283   [Help]
# of observed reflections: 5454   [Help]
Residual factor for the observed reflns.: 0.0524   [Help]

  •  Additional Refinement Information   

Diffraction Data

Intensity Measure Temperature: 100(2) K  [Help]
Radiation source: fine-focus sealed tube   [Help]
Radiation Wavelength: 0.71073 Å  [Help]
_diffrn_radiation_monochromator: graphite   [Help]
_diffrn_measurement_device_type: Xcalibur   [Help]

  •  Additional Diffraction Data Information   

  •  Reference Structure Information   

  •  Modulation Parameters (Tables)   

  •  Modulation Parameters (Atom Sites Summary)