μ-[1,2-Bis(diethylphosphino)ethane]-<i>P</i>:<i>P</i>'-bis[bis(diethyldithiocarbamato-<i>S</i>,<i>S</i>')zinc(II)] ditoluene solvate
Zeng, D.; Hampden-Smith, M.J.; Larson, E.M.; Acta Crystallographica Section C 50 (1994) 1000–1002; doi:10.1107/S0108270193011448

data_2009840
_publ_section_title
;\m-[1,2-Bis(diethylphosphino)ethane]-<i>P</i>:<i>P</i>'-bis[bis(diethyldithiocarbamato-<i>S</i>,<i>S</i>')zinc(II)]
 ditoluene solvate
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1000
_journal_page_last               1002
_journal_paper_doi               10.1107/S0108270193011448
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C44 H80 N4 P2 S8 Zn2'
_chemical_formula_weight         1114.4
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.0
_cell_angle_beta                 96.460(10)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   12.9600(10)
_cell_length_b                   11.311(2)
_cell_length_c                   20.129(5)
_cell_measurement_reflns_used    45
_cell_measurement_temperature    298
_cell_measurement_theta_max      13.5
_cell_measurement_theta_min      5.5
_cell_volume                     2932.0(9)
_diffrn_measurement_device       Kuma
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.70930
_diffrn_reflns_av_R_equivalents  0.026
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            4306
_diffrn_reflns_theta_max         45
_diffrn_standards_decay_%        40
_diffrn_standards_interval_count 50
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.189
_exptl_absorpt_correction_T_max  0.8380
_exptl_absorpt_correction_T_min  0.8375
_exptl_absorpt_correction_type   sphere
_exptl_crystal_colour            Clear
_exptl_crystal_density_diffrn    1.254
_exptl_crystal_description       Needle
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.768
_refine_diff_density_min         -0.732
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   4.18
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     232
_refine_ls_number_reflns         2531
_refine_ls_R_factor_obs          0.055
_refine_ls_shift/esd_max         0.0
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=(2F~o~/\sF~o~^2^)^2^
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.072
_reflns_number_observed          2705
_reflns_number_total             3857
_reflns_observed_criterion       F>\s(F)
_cod_data_source_file            br1040.cif
_cod_data_source_block           br1040_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w=(2F~o~/\sF~o~^2^)^2^' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=(2F~o~/\sF~o~^2^)^2^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2932
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2009840