Solvothermal Synthesis of Four Polyoxometalate-Based Coordination Polymers Including Diverse Ag(I)···π Interactions.
Liang, Min-Xia; Ruan, Chan-Zi; Sun, Di; Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Inorganic chemistry 53 (2014) 897–902; doi:10.1021/ic4022596

data_4337098
_publ_section_title
;
 Solvothermal Synthesis of Four Polyoxometalate-Based Coordination
 Polymers Including Diverse Ag(I)&#x00B7;&#x00B7;&#x00B7;\p Interactions.
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_journal_issue                   2
_journal_name_full               'Inorganic chemistry'
_journal_page_first              897
_journal_page_last               902
_journal_paper_doi               10.1021/ic4022596
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C77 H55 Ag17 N44 O80 P2 W24'
_chemical_formula_weight         9184.78
_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                70.97(3)
_cell_angle_beta                 89.92(3)
_cell_angle_gamma                72.09(3)
_cell_formula_units_Z            1
_cell_length_a                   14.388(3)
_cell_length_b                   14.732(3)
_cell_length_c                   19.978(4)
_cell_measurement_temperature    173(2)
_cell_volume                     3786.1(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_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  0.0780
_diffrn_reflns_av_sigmaI/netI    0.0990
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            28684
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    20.404
_exptl_absorpt_correction_T_max  0.2921
_exptl_absorpt_correction_T_min  0.2348
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    4.028
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4070
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         4.839
_refine_diff_density_min         -3.405
_refine_diff_density_rms         0.489
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1153
_refine_ls_number_reflns         13065
_refine_ls_number_restraints     96
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0839
_refine_ls_R_factor_gt           0.0747
_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^)+(0.1229P)^2^+47.2300P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1953
_refine_ls_wR_factor_ref         0.2051
_reflns_number_gt                11076
_reflns_number_total             13065
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic4022596_si_002.cif
_cod_data_source_block           p1
_cod_original_cell_volume        3786.2(13)
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               4337098