Two Novel One-Dimensional α-Keggin-Based Coordination Polymers with Argentophilic {Ag3}3+/{Ag4}4+Clusters
Dai, Limei; You, Wansheng; Wang, Enbo; Wu, Shuixing; Su, Zhongmin; Du, Qinghua; Zhao, Yi; Fang, Yong; Crystal Growth & Design 9 (2009) 2110–; doi:10.1021/cg8006734

data_4509030
_publ_section_title
;
 Two Novel One-Dimensional \a-Keggin-Based Coordination Polymers with
 Argentophilic {Ag3}3+/{Ag4}4+Clusters
;
_journal_issue                   5
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              2110
_journal_paper_doi               10.1021/cg8006734
_journal_volume                  9
_journal_year                    2009
_chemical_formula_sum            'C40 H36 Ag3 Mo12 N8 O42 P'
_chemical_formula_weight         2806.63
_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                87.015(2)
_cell_angle_beta                 72.146(2)
_cell_angle_gamma                86.563(2)
_cell_formula_units_Z            1
_cell_length_a                   10.5245(19)
_cell_length_b                   12.058(2)
_cell_length_c                   13.530(2)
_cell_measurement_reflns_used    6800
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      29.2550
_cell_measurement_theta_min      0.809703
_cell_volume                     1630.4(5)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997a)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker Apex II CCD '
_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  0.0233
_diffrn_reflns_av_sigmaI/netI    0.0527
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8185
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.04
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    3.232
_exptl_absorpt_correction_T_max  0.4988
_exptl_absorpt_correction_T_min  0.3438
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.859
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.763
_refine_diff_density_min         -1.302
_refine_diff_density_rms         0.216
_refine_ls_extinction_coef       0.00026(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     495
_refine_ls_number_reflns         5634
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.118
_refine_ls_R_factor_all          0.0731
_refine_ls_R_factor_gt           0.0572
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0333P)^2^+38.1925P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1390
_refine_ls_wR_factor_ref         0.1452
_reflns_number_gt                4447
_reflns_number_total             5634
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg8006734sup2.cif
_cod_data_source_block           1
_cod_original_cell_volume        1630.3(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4509030