<i>cis</i>-Tetracarbonyldi(pyridine-<i>N</i>)tungsten(0), [W(CO)~4~(py)~2~]
Holzbock, J.; Sawodny, W.; Grosse, E.; Haseidl, M.; Walz, L.; Acta Crystallographica Section C 52 (1996) 3039–3040; doi:10.1107/S0108270196010128

data_2005756
_publ_section_title
;
 <i>cis</i>-Tetracarbonyldi(pyridine-<i>N</i>)tungsten(0),
 [W(CO)~4~(py)~2~]
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              3039
_journal_page_last               3040
_journal_paper_doi               10.1107/S0108270196010128
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          '[W1  (C5 H5 N1)2 (C1 O1)4]'
_chemical_formula_structural     '(C5 H5 N)2 W (CO)4'
_chemical_formula_sum            'C14 H10 N2 O4 W'
_chemical_formula_weight         454.09
_chemical_name_systematic
;
Tetracarbonylbis(pyridino)tungsten(0)
;
_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'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.
_cell_angle_beta                 91.06(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   7.430(1)
_cell_length_b                   14.676(2)
_cell_length_c                   13.406(2)
_cell_measurement_reflns_used    'powder data (CuK\a); 40'
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24
_cell_measurement_theta_min      6
_cell_volume                     1461.6(4)
_computing_cell_refinement       DIF4
_computing_data_collection       'DIF4 (Stoe & Cie, 1988)'
_computing_data_reduction        'REDU4 (Stoe & Cie, 1992)'
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 1990b)'
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990a)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Stoe-modified Philips PW1100'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0288
_diffrn_reflns_av_sigmaI/netI    0.0315
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4279
_diffrn_reflns_theta_max         30.02
_diffrn_reflns_theta_min         2.78
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_time  100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.919
_exptl_absorpt_correction_T_max  0.493
_exptl_absorpt_correction_T_min  0.112
_exptl_absorpt_correction_type   analytical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.064
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             856
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.987
_refine_diff_density_min         -1.162
_refine_ls_extinction_coef       0.00042(13)
_refine_ls_extinction_method     'SHELXL93 (Sheldrick, 1993)'
_refine_ls_goodness_of_fit_all   1.009
_refine_ls_goodness_of_fit_obs   1.035
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     117
_refine_ls_number_reflns         2140
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_restrained_S_obs      1.035
_refine_ls_R_factor_all          0.0220
_refine_ls_R_factor_obs          0.0185
_refine_ls_shift/esd_max         -0.003
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;
calc w = 1/[\s^2^(F~o~^2^) + (0.0272P)^2^ + 0.0625P]
where P = (F~o~^2^+2Fc^2^)/3
;
_refine_ls_wR_factor_all         0.0456
_refine_ls_wR_factor_obs         0.0447
_reflns_number_observed          1962
_reflns_number_total             2140
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            cf1125.cif
_cod_data_source_block           walz2
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2005756