Modification of the luminescence spectra of chloro(tetrapyridylcyclotetramine)europium complexes by fine tuning of the Eu-Cl distance with outer-sphere counterions in the solid state, in a polymer matrix and in solution.
Wada, Atsushi; Watanabe, Masayuki; Yamanoi, Yoshinori; Nishihara, Hiroshi; Chemical communications (Cambridge, England)  (2008) 1671–1673; doi:10.1039/b716987f

data_7103031
_publ_section_title
;
 Modification of the luminescence spectra of
 chloro(tetrapyridylcyclotetramine)europium complexes by fine tuning of
 the Eu-Cl distance with outer-sphere counterions in the solid state,
 in a polymer matrix and in solution.
;
_journal_issue                   14
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1671
_journal_page_last               1673
_journal_paper_doi               10.1039/b716987f
_journal_year                    2008
_chemical_absolute_configuration unk
_chemical_formula_sum            'C128 H160 Cl12 Eu4 N32'
_chemical_formula_weight         3180.16
_space_group_IT_number           209
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'F 4 2 3'
_symmetry_space_group_name_H-M   'F 4 3 2'
_audit_creation_date             2007-12-20T14:42:45-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            24
_cell_length_a                   47.958(5)
_cell_length_b                   47.958(5)
_cell_length_c                   47.958(5)
_cell_measurement_temperature    113(2)
_cell_volume                     110302(20)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0888
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -62
_diffrn_reflns_limit_k_max       55
_diffrn_reflns_limit_k_min       -62
_diffrn_reflns_limit_l_max       61
_diffrn_reflns_limit_l_min       -56
_diffrn_reflns_number            220444
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    1.565
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.149
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             38592
_exptl_crystal_size_max          0.3000
_exptl_crystal_size_mid          0.3000
_exptl_crystal_size_min          0.2500
_refine_diff_density_max         4.725
_refine_diff_density_min         -1.042
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.02(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.177
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     399
_refine_ls_number_reflns         10581
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.177
_refine_ls_R_factor_gt           0.0956
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1368P)^2^+4105.4082P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.272
_reflns_number_gt                10097
_reflns_number_total             10581
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b716987f.txt
_cod_data_source_block           test3-071219-2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' 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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               7103031