A new α-Keggin type polyoxometalate coordinated to four silver complex moieties: {PW9V3O40[Ag(2,2'-bipy)]2[Ag2(2,2'-bipy)3]2}
Luan, Guoyou; Li, Yangguang; Wang, Shutao; Wang, Enbo; Han, Zhengbo; Hu, Changwen; Hu, Ninghai; Jia, Hengqing; Dalton Transactions  (2003) 233–235; doi:10.1039/b208531c

data_7012204
_publ_section_title
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 A new \a-Keggin type polyoxometalate coordinated to four silver
 complex moieties: {PW9V3O40[Ag(2,2'-bipy)]2[Ag2(2,2'-bipy)3]2}
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_journal_coden_ASTM              DTARAF
_journal_issue                   2
_journal_name_full               'Dalton Transactions'
_journal_page_first              233
_journal_page_last               235
_journal_paper_doi               10.1039/b208531c
_journal_year                    2003
_chemical_formula_sum            'C80 H64 Ag6 N16 O40 P V3 W9'
_chemical_formula_weight         4375.13
_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                69.60(3)
_cell_angle_beta                 73.61(3)
_cell_angle_gamma                83.27(3)
_cell_formula_units_Z            1
_cell_length_a                   13.541(3)
_cell_length_b                   13.702(3)
_cell_length_c                   14.408(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      10.98
_cell_measurement_theta_min      4.93
_cell_volume                     2403.2(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device       'Siemens P4 diffractometer'
_diffrn_measurement_method       '\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  0.0224
_diffrn_reflns_av_sigmaI/netI    0.0551
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8740
_diffrn_reflns_theta_full        24.01
_diffrn_reflns_theta_max         24.01
_diffrn_reflns_theta_min         1.56
_diffrn_standards_decay_%        0.0
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    12.298
_exptl_absorpt_correction_T_max  0.2316
_exptl_absorpt_correction_T_min  0.100
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    3.023
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2008
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.18
_refine_diff_density_max         2.704
_refine_diff_density_min         -3.274
_refine_diff_density_rms         0.292
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     725
_refine_ls_number_reflns         7413
_refine_ls_number_restraints     192
_refine_ls_restrained_S_all      1.253
_refine_ls_R_factor_all          0.0640
_refine_ls_R_factor_gt           0.0484
_refine_ls_shift/su_max          0.020
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0770P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1183
_refine_ls_wR_factor_ref         0.1245
_reflns_number_gt                5839
_reflns_number_total             7413
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b208531c.txt
_cod_data_source_block           l017a
_cod_depositor_comments
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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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2403.2(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7012204