data_5000344
_chemical_formula_moiety         'C68 H48 P4 Pd, C H2 Cl2'
_chemical_formula_sum            'C69 H50 Cl2 P4 Pd'
_chemical_formula_weight         1180.38
_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                105.723(17)
_cell_angle_beta                 115.884(16)
_cell_angle_gamma                93.564(17)
_cell_formula_units_Z            2
_cell_length_a                   13.326(5)
_cell_length_b                   21.332(8)
_cell_length_c                   11.601(4)
_cell_measurement_reflns_used    112
_cell_measurement_temperature    105
_cell_measurement_theta_max      15.59
_cell_measurement_theta_min      9.63
_cell_volume                     2793.4(18)
_diffrn_ambient_temperature      105
_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  0.029
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            14947
_diffrn_reflns_theta_full        0
_diffrn_reflns_theta_max         25.0968
_diffrn_reflns_theta_min         3.04272
_diffrn_standards_decay_%        -1
_diffrn_standards_interval_count 300
_diffrn_standards_number         4
_exptl_absorpt_coefficient_mu    0.5857
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.403
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'flat needle'
_exptl_crystal_F_000             1208
_exptl_crystal_size_max          .6
_exptl_crystal_size_mid          .15
_exptl_crystal_size_min          .075
_refine_diff_density_max         1.82
_refine_diff_density_min         -1.51
_refine_ls_abs_structure_details none
_refine_ls_abs_structure_Flack   ?
_refine_ls_extinction_coef       -0.00000053(7)
_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   1.55
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     659
_refine_ls_number_reflns         6878
_refine_ls_R_factor_gt           0.0697
_refine_ls_shift/su_max          0.0114
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w^-1^=\s^2^(F)+(.07F)^2^
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0728
_reflns_number_gt                6878
_reflns_number_total             9866
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_original_formula_sum        'C69 H50 Cl2 P4 Pd1'
_cod_database_code               5000344