Tuning facial-meridional isomerisation in monometallic nine-co-ordinate lanthanide complexes with unsymmetrical tridentate ligands.
Le Borgne, Thierry; Altmann, Peter; André, Nicolas; Bünzli, Jean-Claude G; Bernardinelli, Gérald; Morgantini, Pierre-Yves; Weber, Jacques; Piguet, Claude; Dalton transactions (Cambridge, England : 2003)  (2004) 723–733; doi:10.1039/b316035a

data_7013888
_publ_section_title
;
 Tuning facial-meridional isomerisation in monometallic
 nine-co-ordinate lanthanide complexes with unsymmetrical tridentate
 ligands.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              723
_journal_page_last               733
_journal_paper_doi               10.1039/b316035a
_journal_year                    2004
_chemical_formula_moiety
;
Eu, (C18 H20 N4 O)2, (C F3 S O3)3, (C3 H5 N)2, (H2 O)2
;
_chemical_formula_sum            'C45 H54 Eu F9 N10 O13 S3'
_chemical_formula_weight         1362.2
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.0.1
_audit_creation_date             2002-01-08
_audit_creation_method           from_xtal_archive_file_using_CIFIO
_audit_update_record             2003-11-24
_cell_angle_alpha                90.00000
_cell_angle_beta                 113.229(10)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   12.9334(12)
_cell_length_b                   34.961(4)
_cell_length_c                   14.0207(13)
_cell_measurement_reflns_used    7997
_cell_measurement_temperature    200
_cell_measurement_theta_max      25.98
_cell_measurement_theta_min      3.4
_cell_volume                     5825.7(11)
_computing_cell_refinement       'CELL (Stoe & Cie, 1999)'
_computing_data_collection       'EXPOSE (Stoe & Cie, 1999)'
_computing_data_reduction        'XRED (Stoe & Cie, 1999)'
_computing_molecular_graphics    xtal_gx3
_computing_publication_material  xtal_CIFIO
_computing_structure_refinement  xtal_CRYLSQ
_computing_structure_solution    Multan_87
_diffrn_detector_area_resol_mean 6
_diffrn_measured_fraction_theta_full .973
_diffrn_measured_fraction_theta_max .973
_diffrn_measurement_device_type  'Stoe Ipds'
_diffrn_measurement_method       \f
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .7107
_diffrn_reflns_av_R_equivalents  .085
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            41143
_diffrn_reflns_theta_full        25.97
_diffrn_reflns_theta_max         25.98
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.279
_exptl_absorpt_correction_T_max  .8140
_exptl_absorpt_correction_T_min  .7083
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'XRED; Stoe & Cie, 1999'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_size_max          .31
_exptl_crystal_size_mid          .29
_exptl_crystal_size_min          .19
_refine_diff_density_max         1.54
_refine_diff_density_min         -.974
_refine_ls_abs_structure_details none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.30(1)
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     738
_refine_ls_number_reflns         7061
_refine_ls_R_factor_gt           .045
_refine_ls_shift/su_max          .0017
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     \w=1/[\s^2^(Fo)+0.0002(Fo^2^)]
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .041
_reflns_number_gt                7241
_reflns_number_total             11119
_reflns_threshold_expression     'refl observed if Fo > 3.99 \s(Fo)'
_cod_data_source_file            b316035a.txt
_cod_data_source_block           RYLE
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not_measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7013888