#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:55:11 +0100 (vie 25 de mar de 2016) $
#$Revision: 179870 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/66/7016613.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7016613
loop_
_publ_author_name
'Flores, Jaime A.'
'Kobayashi, Yoshihiro'
'Dias, H. V. Rasika'
_publ_section_title
;
 Synthesis and characterization of silver(i) adducts supported solely
 by 1,3,5-triazapentadienyl ligands or by triazapentadienyl and other
 N-donors.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10351
_journal_page_last               10359
_journal_paper_doi               10.1039/c1dt10199d
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C20 Ag F24 N3'
_chemical_formula_weight         846.10
_chemical_name_common            {[N{(C3F7)C(C6F5)N}2]Ag}n
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.430(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.2939(6)
_cell_length_b                   14.3955(6)
_cell_length_c                   14.8014(7)
_cell_measurement_reflns_used    6798
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.25
_cell_measurement_theta_min      2.41
_cell_volume                     2547.9(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0325
_diffrn_reflns_av_sigmaI/netI    0.0281
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            18231
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.00
_exptl_absorpt_coefficient_mu    0.987
_exptl_absorpt_correction_T_max  0.9710
_exptl_absorpt_correction_T_min  0.7190
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.206
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             1616
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.821
_refine_diff_density_min         -1.115
_refine_diff_density_rms         0.197
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.195
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         4734
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.195
_refine_ls_R_factor_all          0.0790
_refine_ls_R_factor_gt           0.0726
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0739P)²+24.9237P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1873
_refine_ls_wR_factor_ref         0.1920
_reflns_number_gt                4224
_reflns_number_total             4734
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10199d.txt
_cod_data_source_block           dias273s
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7016613
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
Ag Ag 0.98777(4) 0.76433(4) 0.73389(4) 0.0259(2) Uani 1 1 d
N1 N 0.8684(5) 0.6994(5) 0.6267(4) 0.0294(13) Uani 1 1 d
N2 N 0.7291(5) 0.6876(5) 0.4928(4) 0.0311(14) Uani 1 1 d
N3 N 0.6032(5) 0.6793(4) 0.3500(4) 0.0238(12) Uani 1 1 d
C1 C 0.8157(6) 0.7300(5) 0.5475(6) 0.0311(17) Uani 1 1 d
C2 C 0.6442(6) 0.7197(5) 0.4290(5) 0.0275(15) Uani 1 1 d
C3 C 0.8724(7) 0.8113(6) 0.5074(6) 0.0375(18) Uani 1 1 d
C4 C 0.9751(8) 0.7779(7) 0.4726(7) 0.049(2) Uani 1 1 d
C5 C 1.0183(10) 0.8427(11) 0.4108(11) 0.083(5) Uani 1 1 d
C6 C 0.5780(6) 0.8035(5) 0.4540(5) 0.0283(15) Uani 1 1 d
C7 C 0.4662(7) 0.7741(5) 0.4779(6) 0.0365(19) Uani 1 1 d
C8 C 0.4128(8) 0.8467(8) 0.5293(8) 0.055(3) Uani 1 1 d
C9 C 0.8244(6) 0.6152(5) 0.6585(5) 0.0304(16) Uani 1 1 d
C10 C 0.8807(8) 0.5326(7) 0.6572(8) 0.053(2) Uani 1 1 d
C11 C 0.8449(9) 0.4507(7) 0.6910(9) 0.062(3) Uani 1 1 d
C12 C 0.7506(8) 0.4512(7) 0.7250(7) 0.049(2) Uani 1 1 d
C13 C 0.6915(8) 0.5315(7) 0.7247(7) 0.051(2) Uani 1 1 d
C14 C 0.7294(8) 0.6136(6) 0.6911(7) 0.044(2) Uani 1 1 d
C15 C 0.6609(5) 0.5974(5) 0.3325(5) 0.0219(14) Uani 1 1 d
C16 C 0.6570(7) 0.5164(6) 0.3810(6) 0.0390(19) Uani 1 1 d
C17 C 0.7127(8) 0.4371(6) 0.3645(7) 0.047(2) Uani 1 1 d
C18 C 0.7698(7) 0.4376(5) 0.2943(6) 0.0381(19) Uani 1 1 d
C19 C 0.7751(8) 0.5169(6) 0.2451(6) 0.041(2) Uani 1 1 d
C20 C 0.7208(7) 0.5952(6) 0.2644(6) 0.0358(18) Uani 1 1 d
F1 F 0.8007(4) 0.8499(4) 0.4342(4) 0.0487(13) Uani 1 1 d
F2 F 0.9031(5) 0.8785(3) 0.5716(4) 0.0491(13) Uani 1 1 d
F3 F 0.9500(7) 0.6924(6) 0.4285(6) 0.104(3) Uani 1 1 d
F4 F 1.0590(6) 0.7598(6) 0.5455(5) 0.088(3) Uani 1 1 d
F5 F 1.1120(6) 0.8129(6) 0.3934(5) 0.083(2) Uani 1 1 d
F6 F 1.0202(12) 0.9222(6) 0.4345(11) 0.183(7) Uani 1 1 d
F7 F 0.9459(8) 0.8314(11) 0.3218(7) 0.148(5) Uani 1 1 d
F8 F 0.6397(4) 0.8484(3) 0.5275(3) 0.0420(11) Uani 1 1 d
F9 F 0.5531(4) 0.8646(3) 0.3829(3) 0.0353(10) Uani 1 1 d
F10 F 0.4839(5) 0.6968(5) 0.5273(5) 0.075(2) Uani 1 1 d
F11 F 0.3914(5) 0.7536(5) 0.4009(5) 0.0644(18) Uani 1 1 d
F12 F 0.4760(7) 0.8491(8) 0.6190(6) 0.117(4) Uani 1 1 d
F13 F 0.3134(5) 0.8225(4) 0.5358(4) 0.0596(16) Uani 1 1 d
F14 F 0.4123(7) 0.9261(4) 0.4957(8) 0.120(4) Uani 1 1 d
F15 F 0.9738(6) 0.5311(4) 0.6258(6) 0.086(2) Uani 1 1 d
F16 F 0.9035(8) 0.3727(5) 0.6903(8) 0.110(3) Uani 1 1 d
F17 F 0.7158(6) 0.3729(4) 0.7571(5) 0.0710(18) Uani 1 1 d
F18 F 0.5966(6) 0.5306(5) 0.7528(5) 0.083(2) Uani 1 1 d
F19 F 0.6701(6) 0.6917(5) 0.6914(5) 0.075(2) Uani 1 1 d
F20 F 0.6006(5) 0.5141(4) 0.4487(5) 0.0651(18) Uani 1 1 d
F21 F 0.7119(7) 0.3605(4) 0.4140(6) 0.092(3) Uani 1 1 d
F22 F 0.8226(5) 0.3611(3) 0.2759(5) 0.0570(15) Uani 1 1 d
F23 F 0.8313(6) 0.5169(4) 0.1788(5) 0.078(2) Uani 1 1 d
F24 F 0.7253(6) 0.6721(4) 0.2143(4) 0.071(2) Uani 1 1 d
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_3
N1 Ag N3 174.7(2) 4_676
C1 N1 C9 116.0(6) .
C1 N1 Ag 130.6(6) .
C9 N1 Ag 111.9(4) .
C2 N2 C1 131.7(7) .
C2 N3 C15 115.3(6) .
C2 N3 Ag 127.2(5) 4_575
C15 N3 Ag 115.8(4) 4_575
N1 C1 N2 124.4(7) .
N1 C1 C3 115.8(7) .
N2 C1 C3 118.8(7) .
N3 C2 N2 124.4(7) .
N3 C2 C6 116.7(6) .
N2 C2 C6 118.4(6) .
F2 C3 F1 107.1(7) .
F2 C3 C4 110.0(7) .
F1 C3 C4 107.0(7) .
F2 C3 C1 110.5(6) .
F1 C3 C1 110.5(7) .
C4 C3 C1 111.6(7) .
F4 C4 F3 104.6(9) .
F4 C4 C5 107.4(9) .
F3 C4 C5 109.7(10) .
F4 C4 C3 109.2(7) .
F3 C4 C3 108.8(7) .
C5 C4 C3 116.5(9) .
F6 C5 F5 114.4(13) .
F6 C5 F7 110.3(14) .
F5 C5 F7 99.8(12) .
F6 C5 C4 113.9(13) .
F5 C5 C4 111.8(10) .
F7 C5 C4 105.2(12) .
F8 C6 F9 107.5(6) .
F8 C6 C2 109.9(6) .
F9 C6 C2 111.0(6) .
F8 C6 C7 108.1(6) .
F9 C6 C7 107.5(6) .
C2 C6 C7 112.6(6) .
F11 C7 F10 106.3(8) .
F11 C7 C8 106.8(7) .
F10 C7 C8 109.5(8) .
F11 C7 C6 109.9(6) .
F10 C7 C6 108.3(7) .
C8 C7 C6 115.6(7) .
F14 C8 F13 111.0(9) .
F14 C8 F12 108.1(10) .
F13 C8 F12 105.5(9) .
F14 C8 C7 113.1(8) .
F13 C8 C7 112.1(8) .
F12 C8 C7 106.7(9) .
C14 C9 C10 117.7(8) .
C14 C9 N1 122.9(7) .
C10 C9 N1 119.4(7) .
F15 C10 C9 119.6(8) .
F15 C10 C11 118.8(9) .
C9 C10 C11 121.6(9) .
F16 C11 C12 120.8(9) .
F16 C11 C10 119.6(9) .
C12 C11 C10 119.6(9) .
F17 C12 C13 120.2(9) .
F17 C12 C11 119.8(9) .
C13 C12 C11 120.0(8) .
F18 C13 C12 119.8(9) .
F18 C13 C14 120.5(9) .
C12 C13 C14 119.6(8) .
F19 C14 C9 119.9(8) .
F19 C14 C13 118.6(8) .
C9 C14 C13 121.5(8) .
C16 C15 C20 116.8(7) .
C16 C15 N3 121.7(6) .
C20 C15 N3 121.5(6) .
F20 C16 C15 119.7(7) .
F20 C16 C17 118.3(7) .
C15 C16 C17 122.0(7) .
F21 C17 C16 121.4(8) .
F21 C17 C18 119.4(7) .
C16 C17 C18 119.2(7) .
F22 C18 C19 119.7(7) .
F22 C18 C17 120.2(7) .
C19 C18 C17 120.1(7) .
F23 C19 C18 119.5(7) .
F23 C19 C20 121.0(7) .
C18 C19 C20 119.4(7) .
F24 C20 C19 118.6(7) .
F24 C20 C15 118.9(7) .
C19 C20 C15 122.5(7) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag N1 2.113(6) .
Ag N3 2.120(6) 4_676
N1 C1 1.278(10) .
N1 C9 1.450(10) .
N2 C2 1.318(10) .
N2 C1 1.327(10) .
N3 C2 1.298(9) .
N3 C15 1.430(9) .
N3 Ag 2.120(6) 4_575
C1 C3 1.549(11) .
C2 C6 1.547(10) .
C3 F2 1.347(10) .
C3 F1 1.349(10) .
C3 C4 1.546(12) .
C4 F4 1.335(12) .
C4 F3 1.393(13) .
C4 C5 1.488(14) .
C5 F6 1.195(18) .
C5 F5 1.309(13) .
C5 F7 1.418(19) .
C6 F8 1.340(9) .
C6 F9 1.351(9) .
C6 C7 1.555(10) .
C7 F11 1.320(11) .
C7 F10 1.322(10) .
C7 C8 1.527(11) .
C8 F14 1.246(13) .
C8 F13 1.296(11) .
C8 F12 1.374(14) .
C9 C14 1.363(11) .
C9 C10 1.377(12) .
C10 F15 1.332(11) .
C10 C11 1.391(14) .
C11 F16 1.337(12) .
C11 C12 1.367(14) .
C12 F17 1.332(10) .
C12 C13 1.365(14) .
C13 F18 1.327(11) .
C13 C14 1.403(13) .
C14 F19 1.341(11) .
C15 C16 1.376(10) .
C15 C20 1.381(10) .
C16 F20 1.346(9) .
C16 C17 1.382(11) .
C17 F21 1.325(10) .
C17 C18 1.383(12) .
C18 F22 1.337(9) .
C18 C19 1.363(12) .
C19 F23 1.326(9) .
C19 C20 1.374(11) .
C20 F24 1.340(9) .
