In search for tuneable intramolecular intermetallic interactions in polynuclear lanthanide complexes
Dalla Favera, Natalia; Guénée, Laure; Bernardinelli, Gérald; Piguet, Claude; Dalton Transactions  (2009) 7625–7638; doi:10.1039/b905131g

data_7002291
_publ_section_title
;
 In search for tuneable intramolecular intermetallic interactions in
 polynuclear lanthanide complexes
;
_journal_issue                   37
_journal_name_full               'Dalton Transactions'
_journal_page_first              7625
_journal_page_last               7638
_journal_paper_doi               10.1039/b905131g
_journal_year                    2009
_chemical_formula_moiety         'C39 H48 Eu2 N14 O22, 2(C3 H5 N), 4(H2 O)'
_chemical_formula_sum            'C45 H66 Eu2 N16 O26'
_chemical_formula_weight         1551.08
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.0.1
_audit_creation_date             2008-07-22
_audit_creation_method           from_xtal_archive_file_using_CIFIO
_audit_update_record             2009-03-03
_cell_angle_alpha                90.00000
_cell_angle_beta                 116.890(5)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   33.2594(16)
_cell_length_b                   11.3096(7)
_cell_length_c                   18.1293(8)
_cell_measurement_reflns_used    7998
_cell_measurement_temperature    150
_cell_measurement_theta_max      28.05
_cell_measurement_theta_min      2.55
_cell_volume                     6082.0(6)
_computing_cell_refinement       'CELL (Stoe & Cie, 1999)'
_computing_data_collection       'EXPOSE (Stoe & Cie, 1999)'
_computing_data_reduction        xtal_REFCAL_SORTRF
_computing_molecular_graphics    xtal_gx3
_computing_publication_material  xtal_BONDLA_CIFIO
_computing_structure_refinement  xtal_CRYLSQ
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 6
_diffrn_measured_fraction_theta_full 1.0
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_device_type  'Stoe Ipds'
_diffrn_measurement_method       \f
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0303
_diffrn_reflns_av_sigmaI/netI    .0424
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            28970
_diffrn_reflns_theta_full        28.08
_diffrn_reflns_theta_max         28.08
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              'STOE IPDS'
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    2.139
_exptl_absorpt_correction_T_max  0.7357
_exptl_absorpt_correction_T_min  0.5921
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'XRED; Stoe & Cie, 1999'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.694
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3128.0
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_refine_diff_density_max         .759
_refine_diff_density_min         -.658
_refine_ls_abs_structure_details none
_refine_ls_extinction_coef       .00000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     501
_refine_ls_number_reflns         5809
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.027
_refine_ls_R_factor_gt           .022
_refine_ls_shift/su_max          .006
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     \w=1/[\s^2^(Fo)+0.0003(Fo^2^)]
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .026
_reflns_number_gt                5696
_reflns_number_total             7079
_reflns_threshold_expression     refl_observed_if_F____>_3.00_sigma(F___)
_cod_data_source_file            b905131g.txt
_cod_data_source_block           4
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7002291