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_7013889
_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, (C21 H26 N4 O2)2, (C F3 S O3)3, (C4 H8 O)1.5, (H2 O)
;
_chemical_formula_sum            'C51 H66 Eu F9 N8 O15.5 S3'
_chemical_formula_weight         1458.4
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.0.1
_audit_creation_date             2002-06-28
_audit_creation_method           from_xtal_archive_file_using_CIFIO
_audit_update_record             2003-11-24
_cell_angle_alpha                99.425(7)
_cell_angle_beta                 103.063(7)
_cell_angle_gamma                99.410(7)
_cell_formula_units_Z            2
_cell_length_a                   11.6156(6)
_cell_length_b                   13.2032(9)
_cell_length_c                   22.0941(13)
_cell_measurement_reflns_used    7998
_cell_measurement_temperature    200
_cell_measurement_theta_max      25.97
_cell_measurement_theta_min      4.1
_cell_volume                     3184.5(4)
_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 .93
_diffrn_measured_fraction_theta_max .93
_diffrn_measurement_device_type  'Stoe Ipds'
_diffrn_measurement_method       \f
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .7107
_diffrn_reflns_av_R_equivalents  .053
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            29939
_diffrn_reflns_theta_full        25.97
_diffrn_reflns_theta_max         25.97
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.177
_exptl_absorpt_correction_T_max  .9508
_exptl_absorpt_correction_T_min  .8167
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'XRED; Stoe & Cie, 1999'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.521
_exptl_crystal_density_meas      ?
_exptl_crystal_description       needle
_exptl_crystal_size_max          .27
_exptl_crystal_size_mid          .07
_exptl_crystal_size_min          .07
_refine_diff_density_max         1.061
_refine_diff_density_min         -.847
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.15(1)
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     788
_refine_ls_number_reflns         7263
_refine_ls_R_factor_gt           .041
_refine_ls_shift/su_max          .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     \w=1/[\s^2^(Fo)+0.0001(Fo^2^)]
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .040
_reflns_number_gt                6920
_reflns_number_total             11619
_reflns_threshold_expression     'refl observed if Fo > 3.99 \s(Fo)'
_cod_data_source_file            b316035a.txt
_cod_data_source_block           HILE
_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_database_code               7013889