A simple synthesis and a structural survey of homoleptic rare earth(III) 2,6-diphenylphenolates
Deacon, Glen B.; Feng, Tiecheng; Forsyth, Craig M.; Gitlits, Alex; Hockless, David C. R.; Shen, Qi; Skelton, Brian W.; White, Allan H.; Journal of the Chemical Society, Dalton Transactions  (2000) 961–; doi:10.1039/a910277i

data_7009325
_publ_section_title
;
 A simple synthesis and a structural survey of homoleptic rare
 earth(III) 2,6-diphenylphenolates
;
_journal_issue                   6
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              961
_journal_paper_doi               10.1039/a910277i
_journal_year                    2000
_chemical_formula_sum            'C54 H39 O3 Y'
_chemical_formula_weight         824.81
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                116.504(4)
_cell_angle_beta                 92.816(5)
_cell_angle_gamma                103.092(4)
_cell_formula_units_Z            2
_cell_length_a                   15.907(3)
_cell_length_b                   13.541(3)
_cell_length_c                   10.966(2)
_cell_measurement_reflns_used    2430
_cell_measurement_temperature    293
_cell_measurement_theta_max      26
_cell_measurement_theta_min      2
_cell_volume                     2028.1(7)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'xtal ADDREF SORTRF'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .078
_diffrn_reflns_av_sigmaI/netI    .152
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            23503
_diffrn_reflns_theta_max         24.79
_diffrn_reflns_theta_min         1.33
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.48
_exptl_absorpt_correction_T_max  .894
_exptl_absorpt_correction_T_min  .50
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.351
_exptl_crystal_description       fragment
_exptl_crystal_F_000             852
_exptl_crystal_size_max          .30
_exptl_crystal_size_mid          .30
_exptl_crystal_size_min          .10
_refine_diff_density_max         1.622
_refine_diff_density_min         -.532
_refine_ls_extinction_coef       1356(360)
_refine_ls_extinction_expression 'Eq22 p292 "Cryst. Comp." Munksgaard 1970'
_refine_ls_extinction_method     Zachariasen
_refine_ls_goodness_of_fit_all   2.995
_refine_ls_goodness_of_fit_ref   2.937
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     524
_refine_ls_number_reflns         4360
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .122
_refine_ls_R_factor_gt           .076
_refine_ls_shift/su_max          .061
_refine_ls_shift/su_mean         .013
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .128
_refine_ls_wR_factor_ref         .099
_reflns_d_resolution_high        .847
_reflns_d_resolution_low         15.215
_reflns_limit_h_max              18
_reflns_limit_h_min              0
_reflns_limit_k_max              15
_reflns_limit_k_min              -15
_reflns_limit_l_max              12
_reflns_limit_l_min              -12
_reflns_number_gt                4360
_reflns_number_total             6958
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            a910277i.txt
_cod_data_source_block           yodpp
_cod_original_sg_symbol_Hall     -p_1
_cod_original_sg_symbol_H-M      p_-1
_cod_original_formula_sum        'C54 H39 O3 Y1'
_cod_database_code               7009325