Chloronitrosylbis[<i>o</i>-phenylenebis(dimethylarsine)]technetium(I) chloride‒tetrabutylammonium chloride (1/1)
Banbery, H.J.; Hamor, T.A.; Acta Crystallographica Section C 50 (1994) 44–46; doi:10.1107/S0108270193006663

data_2009398
_publ_section_title
;
 Chloronitrosylbis[<i>o</i>-phenylenebis(dimethylarsine)]technetium(I)
 chloride--tetrabutylammonium chloride (1/1)
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              44
_journal_page_last               46
_journal_paper_doi               10.1107/S0108270193006663
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C36 H68 As4 Cl3 N2 O Tc'
_chemical_formula_weight         1049.9
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.0
_cell_angle_beta                 116.03(5)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   20.069(5)
_cell_length_b                   13.249(3)
_cell_length_c                   20.431(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      15
_cell_measurement_theta_min      9
_cell_volume                     4881(3)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.079
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -3
_diffrn_reflns_number            5141
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        <5
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.31
_exptl_absorpt_correction_T_max  0.83
_exptl_absorpt_correction_T_min  0.65
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_description       Rod-shaped
_exptl_crystal_size_max          0.8
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.08
_refine_diff_density_min         -0.71
_refine_ls_extinction_method     'Three reflections discarded'
_refine_ls_goodness_of_fit_obs   2.625
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     212
_refine_ls_number_reflns         2460
_refine_ls_R_factor_obs          0.076
_refine_ls_shift/esd_max         0.19
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.108
_reflns_number_observed          2463
_reflns_number_total             4301
_reflns_observed_criterion       F>5\s(F)
_cod_data_source_file            mu1044.cif
_cod_data_source_block           mu1044_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        4881.4
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2009398