Complexation of Trivalent Lanthanides with Planar Tridentate Aromatic Ligands Tuned by Counteranions and Steric Constraints
Aude Escande; Laure Guénée; Kerry-Lee Buchwalder; Claude Piguet; Inorganic Chemistry 48 (2009) 1132–1147; doi:10.1021/ic801908c

data_4301335
_publ_contact_author_address
;Department of Inorganic, Analytical and Applied Chemistry
University of Geneva
30 quai E. Ansermet
CH-1211 Geneva 4
Switzerland
;
_publ_contact_author_email       Laure.Guenee@unige.ch
_publ_contact_author_fax         41(22)3796830
_publ_contact_author_name        'Laure Gu\'en\'ee'
_publ_contact_author_phone       41(22)3796411
_publ_section_title
;
Complexation of Trivalent Lanthanides with Planar Tridentate Aromatic
Ligands Tuned by Counteranions and Steric Constraints
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1132
_journal_page_last               1147
_journal_paper_doi               10.1021/ic801908c
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety
'C48 H42 Lu N12 S2, C27 H21 Lu N9 S4, 3(C2 N), O'
_chemical_formula_sum            'C81 H63 Lu2 N24 O S6'
_chemical_formula_weight         1931.00
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
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_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            8
_cell_length_a                   22.8555(9)
_cell_length_b                   26.5434(12)
_cell_length_c                   28.6078(12)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    220
_cell_measurement_theta_max      51.6
_cell_measurement_theta_min      4.0
_cell_volume                     17355.3(13)
_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_CIFIO
_computing_structure_refinement  xtal_CRYLSQ
_computing_structure_solution    SIR97
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_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Stoe Ipds'
_diffrn_measurement_method       \f
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .149
_diffrn_reflns_limit_h_max       28
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_diffrn_reflns_limit_l_max       35
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_diffrn_reflns_theta_full        25.95
_diffrn_reflns_theta_max         25.95
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              'Stoe IPDS'
_diffrn_standards_decay_%        0
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_exptl_absorpt_correction_T_min  0.6753
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_exptl_crystal_colour            yellow
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_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.431
_refine_diff_density_min         -2.113
_refine_ls_abs_structure_details none
_refine_ls_extinction_coef       .00000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     967
_refine_ls_number_reflns         11842
_refine_ls_R_factor_gt           .037
_refine_ls_shift/su_max          .004
_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         .033
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_reflns_threshold_expression     refl_observed_if_F____>_3.00_sigma(F___)
_cod_data_source_file            ic801908c_si_001_1.cif
_cod_data_source_block           4
_cod_original_formula_sum        'C81 H63 Lu2 N24 O1 S6'
_cod_database_code               4301335