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_7002288
_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         'C19 H22 N4 O'
_chemical_formula_sum            'C19 H22 N4 O'
_chemical_formula_weight         322.5
_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
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_audit_creation_date             2008-02-04
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_audit_update_record             2008-04-15
_cell_angle_alpha                90.00000
_cell_angle_beta                 105.483(9)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   12.5918(11)
_cell_length_b                   11.5723(8)
_cell_length_c                   12.3018(8)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    150
_cell_measurement_theta_max      26.7
_cell_measurement_theta_min      3.1
_cell_volume                     1727.5(2)
_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    SIR97
_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_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .077
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
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_diffrn_reflns_theta_full        26.7
_diffrn_reflns_theta_max         26.7
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    .079
_exptl_absorpt_correction_T_max  .9924
_exptl_absorpt_correction_T_min  .9824
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'XRED; Stoe & Cie, 1999'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.24
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             688
_exptl_crystal_size_max          .28
_exptl_crystal_size_mid          .194
_exptl_crystal_size_min          .096
_refine_diff_density_max         .345
_refine_diff_density_min         -.367
_refine_ls_abs_structure_details none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.07(2)
_refine_ls_hydrogen_treatment    refall
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_refine_ls_shift/su_max          .0007
_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         .028
_reflns_number_gt                1814
_reflns_number_total             3590
_reflns_threshold_expression     'refl observed if Fo > 3.99 \s(Fo)'
_cod_data_source_file            b905131g.txt
_cod_data_source_block           L4b
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7002288