Correction to Synthesis, Structures, Bonding, and Redox Chemistry of Ditungsten Butadiyne Complexes with W\τbC-C\τbW Backbones
Jibin Sun; Sarah E. Shaner; Marya K. Jones; Daniel C. O'Hanlon; Jeffrey S. Mugridge; Michael D. Hopkins; Inorganic Chemistry 50 (2011) 10516–10516; doi:10.1021/ic201710s

data_4326581
_publ_section_title
;
 Correction to Synthesis, Structures, Bonding, and Redox Chemistry of
 Ditungsten Butadiyne Complexes with W\\tbC-C\\tbW Backbones
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10516
_journal_page_last               10516
_journal_paper_doi               10.1021/ic201710s
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C26 H72 Cl2 O24 P8 W2'
_chemical_formula_weight         1455.20
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 113.442(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.984(6)
_cell_length_b                   19.242(10)
_cell_length_c                   26.927(11)
_cell_measurement_reflns_used    1024
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      1.34
_cell_volume                     5221(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_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  0.0534
_diffrn_reflns_av_sigmaI/netI    0.0453
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            59057
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.34
_exptl_absorpt_coefficient_mu    4.823
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.764
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
absorption corrections were made based on correspondance of
equivalent intensities using program SADABS (G. Sheldrick, Bruker 
Analytical X-ray Systems, Madison, WI)
;
_exptl_crystal_density_diffrn    1.851
_exptl_crystal_F_000             2888
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         8.820
_refine_diff_density_min         -7.931
_refine_diff_density_rms         0.447
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.298
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     609
_refine_ls_number_reflns         12596
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.298
_refine_ls_R_factor_all          0.1447
_refine_ls_R_factor_gt           0.1397
_refine_ls_shift/su_max          0.112
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0299P)^2^+585.5900P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3020
_refine_ls_wR_factor_ref         0.3044
_reflns_number_gt                11966
_reflns_number_total             12596
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic201710s_si_001_2.cif
_cod_data_source_block           Cl(P(OMe)3)4WCCW(P(OMe)3)4Cl
_cod_original_cell_volume        5221(4)
_cod_database_code               4326581