Cationic M(II)/Co(0) (M = Pd, Pt) Metallomacrocycles Containing Tetrahedral Co~2~C~24 Cluster Cores Formed by Self-Assembly of Cluster-Bridged Bipyridine (4-C~5~H~4~NCO~2~CH~2~)~2~C~2~Co~2~(CO)~6~ and Diarsine-Chelated Complex [Pd(dpab)(H~2~O)(OTf)][OTf] or [Pt(dpab)(H~2~O)~2~][OTf]~2~
Li-Cheng Song; Guo-Xia Jin; Wen-Xiong Zhang; Qing-Mei Hu; Organometallics 24 (2005) 700–706; doi:10.1021/om049175y

data_4060091
_publ_section_title
;
Cationic M(II)/Co(0) (M = Pd, Pt) Metallomacrocycles Containing 
Tetrahedral Co~2~C~24 Cluster Cores Formed by Self-Assembly of 
Cluster-Bridged Bipyridine (4-C~5~H~4~NCO~2~CH~2~)~2~C~2~Co~2~(CO)~6~
and Diarsine-Chelated Complex [Pd(dpab)(H~2~O)(OTf)][OTf]
or [Pt(dpab)(H~2~O)~2~][OTf]~2~
;
_journal_name_full               Organometallics
_journal_page_first              700
_journal_page_last               706
_journal_paper_doi               10.1021/om049175y
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C104 H97 As4 Co4 F12 N4 O40.5 Pt2 S4'
_chemical_formula_weight         3332.68
_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
_cell_angle_alpha                92.019(12)
_cell_angle_beta                 101.885(11)
_cell_angle_gamma                104.029(11)
_cell_formula_units_Z            1
_cell_length_a                   13.667(9)
_cell_length_b                   17.272(11)
_cell_length_c                   18.060(12)
_cell_measurement_reflns_used    951
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.26
_cell_measurement_theta_min      2.23
_cell_volume                     4031(5)
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0452
_diffrn_reflns_av_sigmaI/netI    0.1183
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            23261
_diffrn_reflns_theta_max         26.41
_diffrn_reflns_theta_min         1.16
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_exptl_absorpt_coefficient_mu    3.074
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.655568
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.373
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ?
_exptl_crystal_F_000             1641
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.18
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     828
_refine_ls_number_reflns         16267
_refine_ls_number_restraints     147
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.1399
_refine_ls_R_factor_gt           0.0689
_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^)+(0.1252P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2004
_refine_ls_wR_factor_ref         0.2398
_reflns_number_gt                8815
_reflns_number_total             16267
_reflns_threshold_expression     >2sigma(I)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'NONE' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C104 H97 As4 Co4 F12 N4 O40.50 Pt2 S4'
_cod_database_code               4060091