Calixarenes as aryloxides: oligonuclear europium(iii) derivatives
Fleming, Sean; Gutsche, C. David; Harrowfield, Jack M.; Ogden, Mark I.; Skelton, Brian W.; Stewart, Donald F.; White, Allan H.; Dalton Transactions  (2003) 3319–; doi:10.1039/b305041f

data_7013167
_publ_section_title
;
 Calixarenes as aryloxides: oligonuclear europium(iii) derivatives
;
_journal_issue                   17
_journal_name_full               'Dalton Transactions'
_journal_page_first              3319
_journal_paper_doi               10.1039/b305041f
_journal_year                    2003
_chemical_formula_sum            'C248 H356 Eu2 O37 S4'
_chemical_formula_weight         4361.72
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 92.080(5)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            2
_cell_length_a                   19.062(4)
_cell_length_b                   18.531(4)
_cell_length_c                   35.801(7)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    150
_cell_measurement_theta_max      26
_cell_measurement_theta_min      2
_cell_volume                     12638(5)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'xtal ADDREF SORTRF'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      150
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .052
_diffrn_reflns_av_sigmaI/netI    .097
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            105461
_diffrn_reflns_theta_max         29.42
_diffrn_reflns_theta_min         1.58
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    .589
_exptl_absorpt_correction_T_max  .928
_exptl_absorpt_correction_T_min  .719
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.146
_exptl_crystal_description       plate
_exptl_crystal_F_000             4660
_exptl_crystal_size_max          .45
_exptl_crystal_size_mid          .3
_exptl_crystal_size_min          .1
_refine_diff_density_max         .939
_refine_diff_density_min         -.862
_refine_ls_extinction_coef       4895(2000)
_refine_ls_extinction_expression 'Eq22 p292 "Cryst. Comp." Munksgaard 1970'
_refine_ls_extinction_method     Zachariasen
_refine_ls_goodness_of_fit_all   1.482
_refine_ls_goodness_of_fit_ref   1.673
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           atomblock
_refine_ls_number_constraints    0
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_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .088
_refine_ls_R_factor_gt           .053
_refine_ls_shift/su_max          .049
_refine_ls_shift/su_mean         .002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .07
_refine_ls_wR_factor_ref         .065
_reflns_d_resolution_high        .723
_reflns_d_resolution_low         12.837
_reflns_Friedel_coverage         0
_reflns_limit_h_max              26
_reflns_limit_h_min              0
_reflns_limit_k_max              25
_reflns_limit_k_min              0
_reflns_limit_l_max              46
_reflns_limit_l_min              -46
_reflns_number_gt                21488
_reflns_number_total             31130
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            b305041f.txt
_cod_data_source_block           mo1
_cod_original_sg_symbol_Hall     -p_2yn
_cod_original_sg_symbol_H-M      P_1_21/n_1
_cod_database_code               7013167