Thiophene decorated with Fischer carbene ligands.
van Jaarsveld, Nina A.; Liles, David C.; Lotz, Simon; Dalton transactions (Cambridge, England : 2003) 39 (2010) 5777–5779; doi:10.1039/c0dt00301h

data_7026294
_publ_section_title
;
 Thiophene decorated with Fischer carbene ligands.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5777
_journal_page_last               5779
_journal_paper_doi               10.1039/c0dt00301h
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C24 H20 O12 S W2'
_chemical_formula_sum            'C24 H20 O12 S W2'
_chemical_formula_weight         900.16
_chemical_name_common
;
Octacarbonyl-(thiophene-2,3,4,5-tetra(ethoxymethylidenyl)-ditungsten(0)
;
_chemical_name_systematic
;
3,3,3,3,6,6,6,6-Octacarbonyl-2,4,5,7-tetraethoxy-3,6-ditungsta(0)
bi(cyclopentatrieno)[b,d]thiophene
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.650(4)
_cell_angle_beta                 100.894(4)
_cell_angle_gamma                95.156(4)
_cell_formula_units_Z            2
_cell_length_a                   7.0967(17)
_cell_length_b                   12.537(3)
_cell_length_c                   17.225(4)
_cell_measurement_reflns_used    3725
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.805
_cell_measurement_theta_min      2.945
_cell_volume                     1460.8(6)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics
' ORTEP-3 for Windows (Farrugia, 1997), POV-Ray (The POV-Ray Team, 2004)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXTL and SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXTL (Bruker, 2001)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'SMART 1000 CCD'
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.871
_diffrn_measurement_device_type  'Bruker (Seimens) P4'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0269
_diffrn_reflns_av_sigmaI/netI    0.0533
_diffrn_reflns_limit_h_max       2
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            6862
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.38
_diffrn_reflns_theta_min         2.66
_exptl_absorpt_coefficient_mu    7.997
_exptl_absorpt_correction_T_max  0.619
_exptl_absorpt_correction_T_min  0.336
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2001)'
_exptl_crystal_colour            purple-black
_exptl_crystal_density_diffrn    2.047
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             848
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.418
_refine_diff_density_min         -1.881
_refine_diff_density_rms         0.220
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.350
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     355
_refine_ls_number_reflns         5216
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.350
_refine_ls_R_factor_all          0.0824
_refine_ls_R_factor_gt           0.0535
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0545P)^2^+2.3181P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1218
_refine_ls_wR_factor_ref         0.1379
_reflns_number_gt                3837
_reflns_number_total             5216
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c0dt00329h.txt
_cod_data_source_block           nvj13_p-1
_cod_database_code               7026294