Solvent or Temperature Induced Diverse Coordination Polymers of Silver(I) Sulfate and Bipyrazole Systems: Syntheses, Crystal Structures, Luminescence, and Sorption Properties
Li-Yun Du; Wen-Juan Shi; Lei Hou; Yao-Yu Wang; Qi-Zhen Shi; Zhonghua Zhu; Inorganic Chemistry 52 (2013) 14018–14027; doi:10.1021/ic401765r

data_4336968
_publ_section_title
;
 Solvent or Temperature Induced Diverse Coordination Polymers of Silver(I)
 Sulfate and Bipyrazole Systems: Syntheses, Crystal Structures,
 Luminescence, and Sorption Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              14018
_journal_page_last               14027
_journal_paper_doi               10.1021/ic401765r
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C20 H34 Ag2 N8 O7 S'
_chemical_formula_weight         746.35
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           68
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2a 2ac'
_symmetry_space_group_name_H-M   'C c c a :2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   10.0707(9)
_cell_length_b                   24.215(3)
_cell_length_c                   26.085(3)
_cell_measurement_reflns_used    1677
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      22.82
_cell_measurement_theta_min      2.32
_cell_volume                     6361.1(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0571
_diffrn_reflns_av_sigmaI/netI    0.0452
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            16395
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.30
_exptl_absorpt_coefficient_mu    1.344
_exptl_absorpt_correction_T_max  0.8662
_exptl_absorpt_correction_T_min  0.7939
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.559
_exptl_crystal_description       blcok
_exptl_crystal_F_000             3008
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.165
_refine_diff_density_min         -1.127
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     179
_refine_ls_number_reflns         3134
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0961
_refine_ls_R_factor_gt           0.0547
_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^)+(0.0702P)^2^+10.1426P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1454
_refine_ls_wR_factor_ref         0.1700
_reflns_number_gt                1871
_reflns_number_total             3134
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic401765r_si_002_2.cif
_cod_data_source_block           2
_cod_original_cell_volume        6361.3(11)
_cod_original_sg_symbol_H-M      'C c c a'
_cod_database_code               4336968