[2,3-Bis(3,4-dimethoxyphenyl)-3-oxopropanalato-<i>O</i>,<i>O</i>']difluoroboron(III)
Stomberg, R.; Li, S.; Lundquist, K.; Acta Crystallographica Section C 50 (1994) 214–217; doi:10.1107/S0108270193007759

data_2009469
_publ_section_title
'[2,3-Bis(3,4-dimethoxyphenyl)-3-oxopropanalato-<i>O</i>,<i>O</i>']difluoroboron(III)'
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              214
_journal_page_last               217
_journal_paper_doi               10.1107/S0108270193007759
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C19 H19 B1 F2 O6'
_chemical_formula_sum            'C19 H19 B F2 O6'
_chemical_formula_weight         392.16
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 92.23(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   8.745(4)
_cell_length_b                   19.207(3)
_cell_length_c                   10.981(3)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    133
_cell_measurement_theta_max      23.2
_cell_measurement_theta_min      20.0
_cell_volume                     1843.0(10)
_diffrn_measurement_device       'Rigaku AFC-6R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            3580
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        .0
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.109
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.413
_exptl_crystal_description       'whisker fragment'
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.38
_refine_diff_density_min         -0.33
_refine_ls_goodness_of_fit_obs   1.69
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     330
_refine_ls_number_reflns         1894
_refine_ls_R_factor_obs          0.040
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = [\s^2^(F~o~) + 0.03(F~o~)^2^]^-1^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.045
_reflns_number_observed          1894
_reflns_number_total             3351
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            mu1058.cif
_cod_data_source_block           mu1058_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '[\s^2^(F~o~) +
0.03(F~o~)^2^]^-1^' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = [\s^2^(F~o~) + 0.03(F~o~)^2^]^-1^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C19 H19 B1 F2 O6'
_cod_database_code               2009469