Stereospecific assembly of chiral Λ-Cr(III)-Δ-Ln(III)-oxalato-bridged dinuclear 3d‒4f complexes (Ln = Yb or Dy) and near infrared circular dichroism in the 4f→4f transitions
Subhan, Md. Abdus; Suzuki, Takayoshi; Kaizaki, Sumio; Journal of the Chemical Society, Dalton Transactions  (2001) 492–; doi:10.1039/b007369p

data_7010251
_publ_section_title
;
 Stereospecific assembly of chiral
 \L-Cr(III)-\D-Ln(III)-oxalato-bridged dinuclear 3d--4f complexes
 (Ln&#x2005;=&#x2005;Yb or Dy) and near infrared circular dichroism in
 the 4f\\rightarrow 4f transitions
;
_journal_issue                   4
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              492
_journal_paper_doi               10.1039/b007369p
_journal_year                    2001
_chemical_formula_moiety         'C32 H38 B2 Cl4 Cr N12 O8 Yb '
_chemical_formula_sum            'C32 H38 B2 Cl4 Cr N12 O8 Yb'
_chemical_formula_weight         1107.20
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.541(4)
_cell_length_b                   21.235(3)
_cell_length_c                   14.199(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.0
_cell_volume                     4685.9(19)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  SHELXL93
_computing_structure_solution    SHELXS86
_diffrn_measurement_device_type  'Rigaku AFC5R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.000
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       12
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5956
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        2.05
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.500
_exptl_absorpt_correction_T_max  0.988
_exptl_absorpt_correction_T_min  0.660
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.569
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       columnar
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.160
_refine_diff_density_max         2.56
_refine_diff_density_min         -2.92
_refine_ls_abs_structure_Flack   0.07(3)
_refine_ls_extinction_coef       0.0000
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.237
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     487
_refine_ls_number_reflns         2672
_refine_ls_R_factor_gt           0.0765
_refine_ls_shift/su_max          -0.1300
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2428
_reflns_number_gt                2672
_reflns_number_total             5926
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            b007369p.txt
_cod_data_source_block           lambda-Cr(ox)Yb
_cod_original_cell_volume        4685(1)
_cod_original_sg_symbol_H-M      'P 21 21 21   '
_cod_original_formula_sum        'C32 H38 B2 Cl4 Cr N12 O8 Yb '
_cod_database_code               7010251