Hydrothermal Synthesis, Structure Determination, Thermal Behavior of New Three-dimensional Europium Terephtalates : MIL-51LT, HT and MIL-52 or Eu2n(OH)x(H2O)y(O2C-C6H4-CO2)z (n=III, III, II; x=4, 0, 0; y=2, 0, 0; z=1, 1, 2)
Serre,Christian; Millange, Franck; Marrot, Jerome; Ferey, Gerard; Chemistry of Materials  (2002) –; doi:10.1021/cm0211148

data_4000154
_publ_section_title
;
Hydrothermal Synthesis, Structure Determination,
Thermal Behavior of New Three-dimensional Europium Terephtalates :
MIL-51LT, HT and MIL-52 or Eu2n(OH)x(H2O)y(O2C-C6H4-CO2)z
(n=III, III, II; x=4, 0, 0; y=2, 0, 0; z=1, 1, 2)
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm0211148
_journal_year                    2002
_chemical_formula_sum            'C8 H8 Eu2 O8'
_chemical_formula_weight         536.06
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                91.01(3)
_cell_angle_beta                 97.53(3)
_cell_angle_gamma                91.03(3)
_cell_formula_units_Z            1
_cell_length_a                   3.6773(7)
_cell_length_b                   6.2569(13)
_cell_length_c                   11.969(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22
_cell_measurement_theta_min      18
_cell_volume                     272.91(9)
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measurement_device_type  'Enraf-Nonius CAD-4'
_diffrn_measurement_method       bisecting
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0577
_diffrn_reflns_av_sigmaI/netI    0.1300
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4056
_diffrn_reflns_theta_max         44.99
_diffrn_reflns_theta_min         3.26
_diffrn_standards_decay_%        2
_diffrn_standards_interval_count 86
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    11.416
_exptl_absorpt_correction_T_max  0.8038
_exptl_absorpt_correction_T_min  0.3948
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   '(Xtal3.2 ABSORB; Hall et al., 1992)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.262
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             246
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.02
_refine_ls_extinction_coef       0.0036(19)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     83
_refine_ls_number_reflns         3925
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.1124
_refine_ls_R_factor_gt           0.0461
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0602P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0990
_refine_ls_wR_factor_ref         0.1183
_reflns_number_gt                2572
_reflns_number_total             3925
_reflns_threshold_expression     >2sigma(I)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Gaussian' changed to 'gaussian'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4000154
_diffrn_standards_decay_corr_max 1.051
_diffrn_standards_decay_corr_min 0.946