Strained silver(i) coordination polymers of 1,4-diazatriphenylene
Haftbaradaran, Farzad; Draper, Neil D.; Leznoff, Daniel B.; Williams, Vance E.; Dalton Transactions  (2003) 2105–; doi:10.1039/b302264a

data_7012886
_publ_section_title
;
 Strained silver(i) coordination polymers of 1,4-diazatriphenylene
;
_journal_issue                   11
_journal_name_full               'Dalton Transactions'
_journal_page_first              2105
_journal_paper_doi               10.1039/b302264a
_journal_year                    2003
_chemical_compound_source
;
?
;
_chemical_formula_moiety         ' C16 H10 Ag1 B1 F4 N2 '
_chemical_formula_sum            'C16 H10 Ag B F4 N2'
_chemical_formula_weight         424.942
_chemical_name_systematic
;                                                                               
?                                                                               
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ab'
_symmetry_space_group_name_H-M   'P b n 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             03-17-04
_audit_creation_method           CRYSTALS_ver_12-03-99
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.7422(5)
_cell_length_b                   13.686(1)
_cell_length_c                   18.320(2)
_cell_measurement_reflns_used    72
_cell_measurement_temperature    293
_cell_measurement_theta_max      18
_cell_measurement_theta_min      16
_cell_volume                     1439.7(2)
_computing_cell_refinement       'NRC DIFRAC'
_computing_data_collection       'NRC DIFRAC'
_computing_data_reduction        'NRCVAX DATRD2'
_computing_molecular_graphics
; 
CAMERON (Watkin et al 1996) 
;
_computing_publication_material
; 
CRYSTALS (Watkin et al 2001) 
;
_computing_structure_refinement
; 
CRYSTALS (Watkin et al 2001) 
;
_computing_structure_solution    'SIR 92'
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type
; 
Enraf-Nonius CAD4 
;
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.70930
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            1784
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         2.22
_diffrn_standards_decay_%        0.37
_diffrn_standards_interval_count 11
_diffrn_standards_interval_time  200
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    14.30
_exptl_absorpt_correction_T_max  0.8765
_exptl_absorpt_correction_T_min  0.6800
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            ' yellow-orange '
_exptl_crystal_density_diffrn    1.960
_exptl_crystal_description       ' plate '
_exptl_crystal_F_000             827.941
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.07
_refine_diff_density_min         -0.75
_refine_ls_abs_structure_details 'Flack, 0 Friedel-pairs'
_refine_ls_abs_structure_Flack   0.00(12)
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   2.1636
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     139
_refine_ls_number_reflns         1185
_refine_ls_R_factor_gt           0.0416
_refine_ls_shift/su_max          0.000737
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
w = 1/(.150E-01*F +0.00 *\s^2^(F ) + 0.00 ) 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0495
_reflns_limit_h_max              7
_reflns_limit_h_min              0
_reflns_limit_k_max              16
_reflns_limit_k_min              0
_reflns_limit_l_max              22
_reflns_limit_l_min              -22
_reflns_number_gt                1185
_reflns_number_total             1510
_reflns_threshold_expression     >2.50\s(I)
_cod_data_source_file            b302264a.txt
_cod_data_source_block           CRYSTALS_cif_1
_cod_original_cell_volume        1439.7
_cod_original_sg_symbol_H-M      'P b n 21 '
_cod_original_formula_sum        ' C16 H10 Ag1 B1 F4 N2 '
_cod_database_code               7012886