Synthesis, reactivity and structural characterization of some heterometallic complexes containing naked arsenic ligands †
Adams, Katherine V.; Choi, Nick; Conole, Gráinne; Davies, John E.; King, Jason D.; Mays, Martin J.; McPartlin, Mary; Raithby, Paul R.; Journal of the Chemical Society, Dalton Transactions  (1999) 3679–; doi:10.1039/a905688b

data_7027701
_publ_section_title
;
 Synthesis, reactivity and structural characterization of some
 heterometallic complexes containing naked arsenic ligands&#x200A;&#x2020;
;
_journal_issue                   21
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3679
_journal_paper_doi               10.1039/a905688b
_journal_year                    1999
_chemical_formula_sum            'C27 H20 As2 Co O4 P W'
_chemical_formula_weight         832.02
_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                90.430(10)
_cell_angle_beta                 103.480(10)
_cell_angle_gamma                90.820(10)
_cell_formula_units_Z            4
_cell_length_a                   12.7720(10)
_cell_length_b                   20.831(2)
_cell_length_c                   10.493(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2714.3(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku AFC5R'
_diffrn_measurement_method       theta/2theta
_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  0.0726
_diffrn_reflns_av_sigmaI/netI    0.1096
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            5576
_diffrn_reflns_theta_full        20.00
_diffrn_reflns_theta_max         20.00
_diffrn_reflns_theta_min         3.53
_exptl_absorpt_coefficient_mu    7.355
_exptl_absorpt_correction_T_max  0.996
_exptl_absorpt_correction_T_min  0.890
_exptl_absorpt_correction_type   psi-scans
_exptl_crystal_density_diffrn    2.036
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1584
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.250
_refine_diff_density_min         -1.054
_refine_diff_density_rms         0.252
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     339
_refine_ls_number_reflns         5032
_refine_ls_number_restraints     16
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.1131
_refine_ls_R_factor_gt           0.0539
_refine_ls_shift/su_max          0.722
_refine_ls_shift/su_mean         0.087
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0441P)^2^+123.9303P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1457
_refine_ls_wR_factor_ref         0.1715
_reflns_number_gt                3344
_reflns_number_total             5032
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            905688bsup1.cif
_cod_data_source_block           m2072
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7027701