A Bimetallic Complex Between Uranyl and <i>p</i>-<i>tert</i>-Butylcalix[8]arene
Thuéry, P.; Keller, N.; Lance, M.; Vigner, J.-D.; Nierlich, M.; Acta Crystallographica Section C 51 (1995) 1570–1574; doi:10.1107/S0108270195000710

data_2003824
_publ_section_title
;
 A Bimetallic Complex Between Uranyl and
 <i>p</i>-<i>tert</i>-Butylcalix[8]arene
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1570
_journal_page_last               1574
_journal_paper_doi               10.1107/S0108270195000710
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C120 H190 N8 O17 U2'
_chemical_formula_sum            'C120 H190 N8 O17 U2'
_chemical_formula_weight         2493
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 119.43(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   34.342(9)
_cell_length_b                   12.642(2)
_cell_length_c                   34.230(9)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      12
_cell_measurement_theta_min      8
_cell_volume                     12943(6)
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       \w/\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.022
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            6160
_diffrn_reflns_theta_max         20
_diffrn_standards_decay_%        insignificant
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.43
_exptl_absorpt_correction_T_max  1.23
_exptl_absorpt_correction_T_min  0.81
_exptl_absorpt_correction_type   'empirical DIFABS'
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    1.28
_exptl_crystal_description       platelet
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.03
_refine_diff_density_min         -0.18
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   2.92
_refine_ls_hydrogen_treatment    'H atoms not included'
_refine_ls_number_parameters     459
_refine_ls_number_reflns         3942
_refine_ls_R_factor_obs          0.052
_refine_ls_shift/esd_max         0.04
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.073
_reflns_number_observed          3942
_reflns_number_total             6026
_reflns_observed_criterion       >3\s(I)
_cod_data_source_file            na1138.cif
_cod_data_source_block           na1138a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1' was changed to 'unit'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2003824