Synthesis and Spectroscopic Characterization of Silver(I) Complexes with the Bis(1,2,4-triazol-1-yl)alkane Ligand tz2(CH2). X-ray Structures of Two- and Three-Dimensional Coordination Polymers
Effendy; Fabio Marchetti; Claudio Pettinari; Riccardo Pettinari; Brian W. Skelton; Allan H. White; Inorganic Chemistry 42 (2003) 112–117; doi:10.1021/ic025981q

data_4312900
_publ_contact_author_address
;
   Department of Chemistry
   University of Western Australia
   35 Stirling Highway
   Crawley
   Western Australia 6009
   Australia
;
_publ_contact_author_email       bws@crystal.uwa.edu.au
_publ_contact_author_fax         (+61)_08_9380_1118
_publ_contact_author_name        'Skelton, B. W.'
_publ_contact_author_phone       (+61)_08-9380_3481
_publ_section_title
;
 Synthesis and Spectroscopic Characterization of Silver(I) Complexes with
 the Bis(1,2,4-triazol-1-yl)alkane Ligand tz2(CH2). X-ray Structures of
 Two- and Three-Dimensional Coordination Polymers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              112
_journal_page_last               117
_journal_paper_doi               10.1021/ic025981q
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C5 H6 Ag N7 O3'
_chemical_formula_weight         320.02
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   7.1605(5)
_cell_length_b                   14.1790(10)
_cell_length_c                   9.0770(6)
_cell_measurement_reflns_used    5973
_cell_measurement_temperature    150
_cell_measurement_theta_max      23.1
_cell_measurement_theta_min      2.7
_cell_volume                     921.58(11)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        xtal
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      150
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .026
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_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
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_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            18350
_diffrn_reflns_theta_max         37.52
_diffrn_reflns_theta_min         2.66
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    2.194
_exptl_absorpt_correction_T_max  .863
_exptl_absorpt_correction_T_min  .569
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.306
_exptl_crystal_description       plate
_exptl_crystal_F_000             624
_exptl_crystal_size_max          .3
_exptl_crystal_size_mid          .2
_exptl_crystal_size_min          .06
_refine_diff_density_max         .787
_refine_diff_density_min         -.648
_refine_ls_abs_structure_details 'Flack xabs refined'
_refine_ls_abs_structure_Flack   -.00(2)
_refine_ls_extinction_coef       2260(122)
_refine_ls_extinction_expression 'Eq22 p292 "Cryst. Comp." Munksgaard 1970'
_refine_ls_extinction_method     Zachariasen
_refine_ls_goodness_of_fit_all   1.009
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     170
_refine_ls_number_reflns         2366
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .019
_refine_ls_R_factor_gt           .018
_refine_ls_shift/su_max          .004
_refine_ls_shift/su_mean         .0002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .024
_refine_ls_wR_factor_ref         .024
_reflns_d_resolution_high        .584
_reflns_d_resolution_low         7.633
_reflns_Friedel_coverage         .922
_reflns_limit_h_max              12
_reflns_limit_h_min              0
_reflns_limit_k_max              24
_reflns_limit_k_min              0
_reflns_limit_l_max              15
_reflns_limit_l_min              0
_reflns_number_gt                4557
_reflns_number_total             2534
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            ic025981q_s1_2.cif
_cod_data_source_block           dr12no
_cod_original_sg_symbol_Hall     p_2c_-2n
_cod_original_formula_sum        'C5 H6 Ag1 N7 O3'
_cod_database_code               4312900