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_7002289
_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 H44 N8 O2'
_chemical_formula_sum            'C39 H44 N8 O2'
_chemical_formula_weight         656.82
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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
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_audit_creation_date             2009-02-10
_audit_creation_method           from_xtal_archive_file_using_CIFIO
_audit_update_record             2009-02-10
_cell_angle_alpha                90.00000
_cell_angle_beta                 101.188(3)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   22.2062(9)
_cell_length_b                   12.4592(6)
_cell_length_c                   12.6087(5)
_cell_measurement_reflns_used    21505
_cell_measurement_temperature    150
_cell_measurement_theta_max      33.55
_cell_measurement_theta_min      2.32
_cell_volume                     3422.2(3)
_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_ambient_temperature      150
_diffrn_detector_area_resol_mean 6
_diffrn_measured_fraction_theta_full 1.0
_diffrn_measured_fraction_theta_max 1.0
_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  .109
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            45534
_diffrn_reflns_theta_full        33.45
_diffrn_reflns_theta_max         33.45
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              'STOE IPDS'
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.082
_exptl_absorpt_correction_T_max  0.9916
_exptl_absorpt_correction_T_min  0.9849
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'XRED; Stoe & Cie, 1999'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.275
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1400.0
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.158
_exptl_crystal_size_min          0.132
_refine_diff_density_max         .556
_refine_diff_density_min         -.664
_refine_ls_abs_structure_details none
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
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_refine_ls_number_reflns         8936
_refine_ls_R_factor_gt           .047
_refine_ls_shift/su_max          .01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     \w=1/[\s^2^(Fo)+0.0004(Fo^2^)]
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .044
_reflns_number_gt                7112
_reflns_number_total             13246
_reflns_threshold_expression     refl_observed_if_F____>_4.00_sigma(F___)
_cod_data_source_file            b905131g.txt
_cod_data_source_block           L5
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7002289