Lanthanide complexes assembled from two flexible amide-type tripodal ligands: terminal groups effect on photoluminescence behavior.
Wang, Qin; Tang, Kuanzhen; Jin, Xiaojie; Huang, Xiaoguang; Liu, Weisheng; Yao, Xiaojun; Tang, Yu; Dalton transactions (Cambridge, England : 2003) 41 (2012) 3431–3438; doi:10.1039/c2dt11761d

data_7018345
_publ_section_title
;
 Lanthanide complexes assembled from two flexible amide-type tripodal
 ligands: terminal groups effect on photoluminescence behavior.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3431
_journal_page_last               3438
_journal_paper_doi               10.1039/c2dt11761d
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C58 H75 Cl3 Eu N11 O20'
_chemical_formula_weight         1504.60
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.206(6)
_cell_angle_beta                 100.862(6)
_cell_angle_gamma                93.150(6)
_cell_formula_units_Z            2
_cell_length_a                   14.415(5)
_cell_length_b                   14.760(5)
_cell_length_c                   19.746(7)
_cell_measurement_temperature    298(2)
_cell_volume                     4069(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.904
_diffrn_measured_fraction_theta_max 0.904
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0595
_diffrn_reflns_av_sigmaI/netI    0.1614
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            19136
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.96
_exptl_absorpt_coefficient_mu    0.934
_exptl_absorpt_correction_T_max  0.9042
_exptl_absorpt_correction_T_min  0.6785
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.228
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1548
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.43
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.745
_refine_diff_density_min         -0.634
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.970
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     883
_refine_ls_number_reflns         12967
_refine_ls_number_restraints     2123
_refine_ls_restrained_S_all      0.955
_refine_ls_R_factor_all          0.1727
_refine_ls_R_factor_gt           0.0760
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1051P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1643
_refine_ls_wR_factor_ref         0.2236
_reflns_number_gt                6194
_reflns_number_total             12967
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt11761d.txt
_cod_data_source_block           060514t
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        4069(3)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7018345