Self-Assembly of Cationic Pd(II)/Pt(II) Metallomacrocycles Containing Tetrahedral C2Co2Clusters from Rigid Cluster-Bridged Bipyridine (4-C5H4N)2C2Co2(CO)6and Diphosphine- or Diarsine-Chelated Pd(II)/Pt(II) Complexes [M(dppb)(H2O)2][OTf]2(M = Pd, Pt), [Pd(dpab)(H2O)(OTf)][OTf], and [Pt(dpab)(H2O)2][OTf]2
Song, Li-Cheng; Jin, Guo-Xia; Wang, Hu-Ting; Zhang, Wen-Xiong; Hu, Qing-Mei; Organometallics 24 (2005) 6464–; doi:10.1021/om050668s

data_4076159
_publ_section_title
;
 Self-Assembly of Cationic Pd(II)/Pt(II) Metallomacrocycles Containing
 Tetrahedral C2Co2Clusters from Rigid Cluster-Bridged Bipyridine
 (4-C5H4N)2C2Co2(CO)6and Diphosphine- or Diarsine-Chelated Pd(II)/Pt(II)
 Complexes [M(dppb)(H2O)2][OTf]2(M = Pd, Pt), [Pd(dpab)(H2O)(OTf)][OTf],
 and [Pt(dpab)(H2O)2][OTf]2
;
_journal_issue                   26
_journal_name_full               Organometallics
_journal_page_first              6464
_journal_paper_doi               10.1021/om050668s
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C104 H80 As4 Cl24 Co4 F12 N4 O24 Pd2 S4'
_chemical_formula_weight         3724.96
_chemical_name_systematic
; 
 ? 
;
_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                113.761(4)
_cell_angle_beta                 102.740(4)
_cell_angle_gamma                97.570(4)
_cell_formula_units_Z            1
_cell_length_a                   13.947(4)
_cell_length_b                   17.222(5)
_cell_length_c                   18.691(5)
_cell_measurement_reflns_used    965
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.78
_cell_measurement_theta_min      2.51
_cell_volume                     3883.5(19)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_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  0.0450
_diffrn_reflns_av_sigmaI/netI    0.1273
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            22391
_diffrn_reflns_theta_full        26.46
_diffrn_reflns_theta_max         26.46
_diffrn_reflns_theta_min         1.25
_exptl_absorpt_coefficient_mu    2.028
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.293774
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.593
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1836
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.334
_refine_diff_density_min         -0.726
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     911
_refine_ls_number_reflns         15787
_refine_ls_number_restraints     170
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.1650
_refine_ls_R_factor_gt           0.0724
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1341P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1927
_refine_ls_wR_factor_ref         0.2508
_reflns_number_gt                7648
_reflns_number_total             15787
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om050668ssi20050803_051601.cif
_cod_data_source_block           040309a
_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_values 1715 2011-07-08 13:25:40Z adriana 

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_cell_volume        3883.2(19)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4076159