(Bis(1,2,4-triazol-1-yl)methane)silver(I) Phosphino Complexes: Structures and Spectroscopic Properties of Mixed-Ligand Coordination Polymers
E. Effendy; Fabio Marchetti; Claudio Pettinari; Riccardo Pettinari; Massimo Ricciutelli; Brian W. Skelton; Allan H. White; Inorganic Chemistry 43 (2004) 2157–2165; doi:10.1021/ic0353413

data_4310750
_publ_contact_author_address
;
   Department of Chemistry
   University of Western Australia
   35 Stirling Hwy
   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        'B. W. Skelton'
_publ_contact_author_phone       (+61)_08-9380_3481
_publ_section_title
;
 (Bis(1,2,4-triazol-1-yl)methane)silver(I) Phosphino Complexes: Structures
 and Spectroscopic Properties of Mixed-Ligand Coordination Polymers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2157
_journal_page_last               2165
_journal_paper_doi               10.1021/ic0353413
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         'C25 H24 Ag1 N7 P1, N O3'
_chemical_formula_sum            'C25 H24 Ag N8 O3 P'
_chemical_formula_weight         623.36
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                75.501(2)
_cell_angle_beta                 66.906(2)
_cell_angle_gamma                65.620(2)
_cell_formula_units_Z            1
_cell_length_a                   8.5328(8)
_cell_length_b                   8.9443(9)
_cell_length_c                   10.5620(10)
_cell_measurement_reflns_used    5905
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      35.2
_cell_measurement_theta_min      2.4
_cell_volume                     671.60(11)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'xtal ADDREF SORTRF'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measured_fraction_theta_max .85
_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  .028
_diffrn_reflns_av_sigmaI/netI    .013
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13585
_diffrn_reflns_theta_full        33.5
_diffrn_reflns_theta_max         35.64
_diffrn_reflns_theta_min         2.11
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    .853
_exptl_absorpt_correction_T_max  .915
_exptl_absorpt_correction_T_min  .657
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             316
_exptl_crystal_size_max          .35
_exptl_crystal_size_mid          .22
_exptl_crystal_size_min          .16
_refine_diff_density_max         .526
_refine_diff_density_min         -.488
_refine_ls_abs_structure_details 'Flack xabs refined'
_refine_ls_abs_structure_Flack   -.024(16)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.019
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     341
_refine_ls_number_reflns         5318
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .029
_refine_ls_R_factor_gt           .028
_refine_ls_shift/su_max          .005
_refine_ls_shift/su_mean         .0005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .035
_refine_ls_wR_factor_ref         .034
_reflns_d_resolution_high        .582
_reflns_d_resolution_low         9.643
_reflns_Friedel_coverage         .99
_reflns_limit_h_max              14
_reflns_limit_h_min              0
_reflns_limit_k_max              15
_reflns_limit_k_min              -13
_reflns_limit_l_max              17
_reflns_limit_l_min              -16
_reflns_number_gt                5328
_reflns_number_total             5409
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            ic0353413si20031119_095931_1.cif
_cod_data_source_block           notzp
_cod_original_sg_symbol_Hall     p_1
_cod_original_formula_sum        'C25 H24 Ag1 N8 O3 P1'
_cod_database_code               4310750