New types of di-, tetra-, hexa- and octanuclear Ag(i) complexes containing 1,3-adamantanedicarboxylic acid
Jin, Jun-Cheng; Wang, Yao-Yu; Zhang, Wei-Hong; Lermontov, Anatoly S.; Lermontova, Elmira Kh.; Shi, Qi-Zhen; Dalton Transactions  (2009) 10181–10191; doi:10.1039/b909309e

data_7002835
_publ_section_title
;
 New types of di-, tetra-, hexa- and octanuclear Ag(i) complexes
 containing 1,3-adamantanedicarboxylic acid
;
_journal_issue                   46
_journal_name_full               'Dalton Transactions'
_journal_page_first              10181
_journal_page_last               10191
_journal_paper_doi               10.1039/b909309e
_journal_year                    2009
_chemical_formula_moiety         'C108 H108 Ag8 N20 O16, 2(C2 H6 O), 6(H2 O)'
_chemical_formula_sum            'C112 H132 Ag8 N20 O24'
_chemical_formula_weight         3005.34
_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                110.220(5)
_cell_angle_beta                 104.945(5)
_cell_angle_gamma                106.456(3)
_cell_formula_units_Z            1
_cell_length_a                   14.555(3)
_cell_length_b                   14.801(3)
_cell_length_c                   15.930(5)
_cell_measurement_reflns_used    1540
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      18.243
_cell_measurement_theta_min      2.346
_cell_volume                     2836.7(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker APEX SMART II'
_diffrn_measurement_method       \w
_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  0.0396
_diffrn_reflns_av_sigmaI/netI    0.1529
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            15535
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.48
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.432
_exptl_absorpt_correction_T_max  0.7928
_exptl_absorpt_correction_T_min  0.6815
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.759
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1512
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.401
_refine_diff_density_min         -0.581
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.788
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     745
_refine_ls_number_reflns         10898
_refine_ls_number_restraints     116
_refine_ls_restrained_S_all      0.826
_refine_ls_R_factor_all          0.1266
_refine_ls_R_factor_gt           0.0536
_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^)+(0.0878P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1302
_refine_ls_wR_factor_ref         0.1622
_reflns_number_gt                4413
_reflns_number_total             10898
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b909309e.txt
_cod_data_source_block           xb2552
_cod_original_cell_volume        2836.7(11)
_cod_database_code               7002835