Lanthanoid complexes supported by retro-Claisen condensation products of β-triketonates.
Abad Galán, Laura; Sobolev, Alexandre N.; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano; Dalton transactions (Cambridge, England : 2003) 47 (2018) 17469–17478; doi:10.1039/c8dt03585g

data_7048088
_publ_section_title
;
 Lanthanoid complexes supported by retro-Claisen condensation products of
 \b-triketonates.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17469
_journal_page_last               17478
_journal_paper_doi               10.1039/c8dt03585g
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C228 H228 Cs2 Eu2 O26'
_chemical_formula_sum            'C228 H228 Cs2 Eu2 O26'
_chemical_formula_weight         3953.83
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-05-31 deposited with the CCDC.
2018-11-13 downloaded from the CCDC.
;
_cell_angle_alpha                88.513(2)
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_cell_measurement_temperature    100(2)
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_cell_volume                     4963.0(2)
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
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_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2015)'
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_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Oxford Diffraction Gemini-R Ultra, Ruby CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
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_diffrn_orient_matrix_UB_23      -0.0061549
_diffrn_orient_matrix_UB_31      0.0694082
_diffrn_orient_matrix_UB_32      0.0354118
_diffrn_orient_matrix_UB_33      -0.0060385
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'Enhance (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0557
_diffrn_reflns_av_unetI/netI     0.0328
_diffrn_reflns_Laue_measured_fraction_full 0.992
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_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
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_diffrn_reflns_limit_l_max       22
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_diffrn_reflns_number            109457
_diffrn_reflns_point_group_measured_fraction_full 0.992
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_diffrn_reflns_theta_full        67.292
_diffrn_reflns_theta_max         67.292
_diffrn_reflns_theta_min         2.429
_exptl_absorpt_coefficient_mu    7.829
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.65535
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.323
_exptl_crystal_description       needle
_exptl_crystal_F_000             2040
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.060
_refine_diff_density_max         1.572
_refine_diff_density_min         -1.215
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
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_refine_ls_number_restraints     732
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0871
_refine_ls_R_factor_gt           0.0707
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1280P)^2^+8.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1979
_refine_ls_wR_factor_ref         0.2161
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14055
_reflns_number_total             17676
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt03585g2.cif
_cod_data_source_block           mxm255la
_cod_depositor_comments
'Adding full bibliography for 7048079--7048089.cif.'
_cod_database_code               7048088
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.245
_shelx_estimated_absorpt_t_max   0.651
_shelx_res_checksum              28112