data_5000335
_chemical_formula_moiety         ?
_chemical_formula_sum            'C43 H33 B F24 N2 Ru'
_chemical_formula_weight         1145.59
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.4046(19)
_cell_length_b                   19.453(2)
_cell_length_c                   26.918(3)
_cell_measurement_reflns_used    72
_cell_measurement_temperature    103.
_cell_measurement_theta_max      10.47
_cell_measurement_theta_min      9.73
_cell_volume                     9113.8(17)
_diffrn_ambient_temperature      103.
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'refurbished Picker diffractometer'
_diffrn_measurement_method       '\q/2\q scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.109
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            12389
_diffrn_reflns_theta_full        0
_diffrn_reflns_theta_max         25.0005
_diffrn_reflns_theta_min         3.02687
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 200
_diffrn_standards_number         4
_exptl_absorpt_coefficient_mu    0.4773
_exptl_absorpt_correction_T_max  0.888
_exptl_absorpt_correction_T_min  0.868
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   Tompa
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.67
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'hexagonal prism'
_exptl_crystal_F_000             4560
_exptl_crystal_size_max          .50
_exptl_crystal_size_mid          .32
_exptl_crystal_size_min          .28
_refine_diff_density_max         0.87
_refine_diff_density_min         -0.69
_refine_ls_abs_structure_details none
_refine_ls_abs_structure_Flack   ?
_refine_ls_extinction_coef       0.0000000154270(11)
_refine_ls_extinction_expression
;
Larson, A. C. (1967).  Acta Cryst. 23, p. 664.  Eq. (3)
;
_refine_ls_extinction_method     Zachariasen
_refine_ls_goodness_of_fit_ref   1.6213
_refine_ls_hydrogen_treatment    ?
_refine_ls_matrix_type           full
_refine_ls_number_parameters     471
_refine_ls_number_reflns         2737
_refine_ls_R_factor_gt           0.0565
_refine_ls_shift/su_max          0.0363
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w^-1^=\s^2^(F)+(.03F)^2^
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0472
_reflns_number_gt                3102
_reflns_number_total             6558
_reflns_threshold_expression     F^2^>2.33\s(F^2^)
_cod_original_formula_sum        'C43 H33 B1 F24 N2 Ru1'
_cod_database_code               5000335