#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:09:08 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180492 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/61/7216117.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_7216117
loop_
_publ_author_name
'Pocic, David'
'Planeix, Jean-Marc'
'Kyritsakas, Nathalie'
'Jouaiti, Abdelaziz'
'Hosseini, Mir Wais'
_publ_section_title
;
 Molecular tectonics: on the role of counter-ions in the dimensionality of
 silver coordination networks
;
_journal_issue                   104
_journal_name_full               CrystEngComm
_journal_page_first              624
_journal_paper_doi               10.1039/b513138n
_journal_volume                  7
_journal_year                    2005
_chemical_formula_moiety         'C8 H10 Ag N2, F6 Sb'
_chemical_formula_sum            'C8 H10 Ag F6 N2 Sb'
_chemical_formula_weight         477.80
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_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                 101.732(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.3792(5)
_cell_length_b                   10.6135(3)
_cell_length_c                   19.1059(7)
_cell_measurement_reflns_used    3749
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      29.77
_cell_measurement_theta_min      2.18
_cell_volume                     2457.82(15)
_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      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0270
_diffrn_reflns_av_sigmaI/netI    0.0324
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            10233
_diffrn_reflns_theta_full        30.03
_diffrn_reflns_theta_max         30.03
_diffrn_reflns_theta_min         2.55
_exptl_absorpt_coefficient_mu    3.849
_exptl_absorpt_correction_T_max  0.8612
_exptl_absorpt_correction_T_min  0.6768
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.582
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1792
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.478
_refine_diff_density_min         -0.930
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     193
_refine_ls_number_reflns         3591
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0351
_refine_ls_R_factor_gt           0.0259
_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)+(0.0370P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0641
_refine_ls_wR_factor_ref         0.0667
_reflns_number_gt                2968
_reflns_number_total             3591
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b513138n.txt
_cod_data_source_block           e366a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7216117
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.277173(19) 0.87725(2) 0.638607(10) 0.02466(7) Uani 1 1 d . . .
N1 N 0.3461(2) 0.9912(2) 0.72919(12) 0.0242(5) Uani 1 1 d . . .
C1 C 0.3754(3) 0.9368(3) 0.79351(15) 0.0265(6) Uani 1 1 d . . .
H1 H 0.3777 0.8474 0.7961 0.032 Uiso 1 1 calc R . .
C2 C 0.4025(3) 1.0051(3) 0.85614(14) 0.0249(6) Uani 1 1 d . . .
H2 H 0.4240 0.9626 0.9005 0.030 Uiso 1 1 calc R . .
C3 C 0.3983(2) 1.1349(3) 0.85440(14) 0.0198(5) Uani 1 1 d . . .
C4 C 0.3710(3) 1.1920(3) 0.78746(14) 0.0251(6) Uani 1 1 d . . .
H4 H 0.3700 1.2813 0.7836 0.030 Uiso 1 1 calc R . .
C5 C 0.3452(3) 1.1177(3) 0.72633(15) 0.0253(6) Uani 1 1 d . . .
H5 H 0.3264 1.1577 0.6810 0.030 Uiso 1 1 calc R . .
N2 N 0.18331(19) 0.7533(2) 0.55558(11) 0.0168(4) Uani 1 1 d . . .
C6 C 0.2488(2) 0.6406(2) 0.54249(13) 0.0176(5) Uani 1 1 d . . .
H6A H 0.2017 0.5840 0.5080 0.021 Uiso 1 1 calc R . .
H6B H 0.2727 0.5938 0.5878 0.021 Uiso 1 1 calc R . .
C7 C 0.3490(2) 0.6777(3) 0.51343(13) 0.0186(5) Uani 1 1 d . . .
H7A H 0.3976 0.7320 0.5486 0.022 Uiso 1 1 calc R . .
H7B H 0.3911 0.6012 0.5061 0.022 Uiso 1 1 calc R . .
C8 C 0.0795(2) 0.7125(3) 0.57778(14) 0.0223(6) Uani 1 1 d . . .
H8A H 0.0345 0.6622 0.5388 0.027 Uiso 1 1 calc R . .
H8B H 0.0362 0.7880 0.5852 0.027 Uiso 1 1 calc R . .
Sb1 Sb 0.7500 0.2500 1.0000 0.02122(7) Uani 1 2 d S . .
F1 F 0.6523(2) 0.3706(2) 0.95389(17) 0.0736(10) Uani 1 1 d . . .
F2 F 0.66613(18) 0.12140(17) 0.94705(10) 0.0378(5) Uani 1 1 d . . .
F3 F 0.6653(3) 0.2336(3) 1.06883(14) 0.0774(10) Uani 1 1 d . . .
Sb2 Sb 0.0000 0.93914(2) 0.2500 0.02345(7) Uani 1 2 d S . .
F4 F 0.1169(6) 0.8368(6) 0.2884(3) 0.0510(19) Uani 0.497(9) 1 d P A 1
F5 F 0.1230(6) 1.0374(6) 0.2949(3) 0.0514(18) Uani 0.497(9) 1 d P A 1
F6 F 0.0755(5) 0.8887(8) 0.1816(3) 0.065(2) Uani 0.497(9) 1 d P A 1
F6A F 0.0725(4) 0.9874(7) 0.1751(2) 0.0476(17) Uani 0.503(9) 1 d P A 2
F5A F 0.0607(7) 1.0750(4) 0.3029(3) 0.0487(17) Uani 0.503(9) 1 d P A 2
F4A F 0.0619(6) 0.8012(5) 0.3100(3) 0.0432(15) Uani 0.503(9) 1 d P A 2
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'
H H 0.0000 0.0000 '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'
Sb Sb -0.5866 1.5461 '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_1
_geom_angle_site_symmetry_3
N1 Ag1 N2 170.06(9) . .
C1 N1 C5 117.8(2) . .
C1 N1 Ag1 119.11(19) . .
C5 N1 Ag1 122.21(18) . .
N1 C1 C2 122.7(3) . .
N1 C1 H1 118.6 . .
C2 C1 H1 118.6 . .
C3 C2 C1 120.2(3) . .
C3 C2 H2 119.9 . .
C1 C2 H2 119.9 . .
C2 C3 C4 117.2(2) . .
C2 C3 C8 121.6(2) . 4_556
C4 C3 C8 121.1(2) . 4_556
C5 C4 C3 119.7(3) . .
C5 C4 H4 120.2 . .
C3 C4 H4 120.2 . .
N1 C5 C4 122.3(3) . .
N1 C5 H5 118.9 . .
C4 C5 H5 118.9 . .
C7 N2 C6 107.6(2) 7_566 .
C7 N2 C8 107.5(2) 7_566 .
C6 N2 C8 110.0(2) . .
C7 N2 Ag1 110.61(15) 7_566 .
C6 N2 Ag1 111.95(16) . .
C8 N2 Ag1 109.06(16) . .
N2 C6 C7 111.5(2) . .
N2 C6 H6A 109.3 . .
C7 C6 H6A 109.3 . .
N2 C6 H6B 109.3 . .
C7 C6 H6B 109.3 . .
H6A C6 H6B 108.0 . .
N2 C7 C6 111.1(2) 7_566 .
N2 C7 H7A 109.4 7_566 .
C6 C7 H7A 109.4 . .
N2 C7 H7B 109.4 7_566 .
C6 C7 H7B 109.4 . .
H7A C7 H7B 108.0 . .
N2 C8 C3 112.5(2) . 4_546
N2 C8 H8A 109.1 . .
C3 C8 H8A 109.1 4_546 .
N2 C8 H8B 109.1 . .
C3 C8 H8B 109.1 4_546 .
H8A C8 H8B 107.8 . .
F3 Sb1 F3 179.998(1) . 7_657
F3 Sb1 F1 90.36(16) . 7_657
F3 Sb1 F1 89.64(16) 7_657 7_657
F3 Sb1 F1 89.64(16) . .
F3 Sb1 F1 90.36(16) 7_657 .
F1 Sb1 F1 180.000(1) 7_657 .
F3 Sb1 F2 90.96(11) . 7_657
F3 Sb1 F2 89.05(11) 7_657 7_657
F1 Sb1 F2 90.58(10) 7_657 7_657
F1 Sb1 F2 89.42(10) . 7_657
F3 Sb1 F2 89.04(11) . .
F3 Sb1 F2 90.95(11) 7_657 .
F1 Sb1 F2 89.42(10) 7_657 .
F1 Sb1 F2 90.58(10) . .
F2 Sb1 F2 179.999(1) 7_657 .
F5A Sb2 F5A 76.2(4) 2 .
F5A Sb2 F6 114.3(3) 2 2
F5A Sb2 F6 92.7(4) . 2
F5A Sb2 F6 92.7(4) 2 .
F5A Sb2 F6 114.3(3) . .
F6 Sb2 F6 146.1(6) 2 .
F5A Sb2 F4 152.4(3) 2 .
F5A Sb2 F4 92.5(3) . .
F6 Sb2 F4 91.0(3) 2 .
F6 Sb2 F4 68.8(3) . .
F5A Sb2 F4 92.5(3) 2 2
F5A Sb2 F4 152.4(3) . 2
F6 Sb2 F4 68.8(3) 2 2
F6 Sb2 F4 91.0(3) . 2
F4 Sb2 F4 107.6(4) . 2
F5A Sb2 F5 28.1(2) 2 2
F5A Sb2 F5 91.0(4) . 2
F6 Sb2 F5 90.2(3) 2 2
F6 Sb2 F5 108.4(3) . 2
F4 Sb2 F5 176.2(2) . 2
F4 Sb2 F5 69.5(4) 2 2
F5A Sb2 F5 91.0(4) 2 .
F5A Sb2 F5 28.1(2) . .
F6 Sb2 F5 108.4(3) 2 .
F6 Sb2 F5 90.2(3) . .
F4 Sb2 F5 69.5(4) . .
F4 Sb2 F5 176.2(2) 2 .
F5 Sb2 F5 113.4(5) 2 .
F5A Sb2 F6A 90.0(2) 2 2
F5A Sb2 F6A 65.0(4) . 2
F6 Sb2 F6A 32.7(2) 2 2
F6 Sb2 F6A 176.9(3) . 2
F4 Sb2 F6A 108.1(3) . 2
F4 Sb2 F6A 90.3(4) 2 2
F5 Sb2 F6A 74.6(2) 2 2
F5 Sb2 F6A 88.3(4) . 2
F5A Sb2 F6A 65.0(4) 2 .
F5A Sb2 F6A 90.0(2) . .
F6 Sb2 F6A 176.9(3) 2 .
F6 Sb2 F6A 32.7(2) . .
F4 Sb2 F6A 90.3(4) . .
F4 Sb2 F6A 108.1(3) 2 .
F5 Sb2 F6A 88.3(4) 2 .
F5 Sb2 F6A 74.6(2) . .
F6A Sb2 F6A 148.9(4) 2 .
F5A Sb2 F4A 101.6(2) 2 2
F5A Sb2 F4A 176.9(2) . 2
F6 Sb2 F4A 90.2(4) 2 2
F6 Sb2 F4A 63.4(3) . 2
F4 Sb2 F4A 88.6(3) . 2
F4 Sb2 F4A 29.0(2) 2 2
F5 Sb2 F4A 87.9(3) 2 2
F5 Sb2 F4A 150.9(3) . 2
F6A Sb2 F4A 117.4(4) 2 2
F6A Sb2 F4A 87.0(2) . 2
F5A Sb2 F4A 176.9(2) 2 .
F5A Sb2 F4A 101.6(2) . .
F6 Sb2 F4A 63.4(3) 2 .
F6 Sb2 F4A 90.2(4) . .
F4 Sb2 F4A 29.0(2) . .
F4 Sb2 F4A 88.6(3) 2 .
F5 Sb2 F4A 150.9(3) 2 .
F5 Sb2 F4A 87.9(3) . .
F6A Sb2 F4A 87.0(2) 2 .
F6A Sb2 F4A 117.4(4) . .
F4A Sb2 F4A 80.7(3) 2 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N1 2.142(2) .
Ag1 N2 2.202(2) .
N1 C1 1.340(4) .
N1 C5 1.343(4) .
C1 C2 1.381(4) .
C1 H1 0.9500 .
C2 C3 1.379(4) .
C2 H2 0.9500 .
C3 C4 1.393(4) .
C3 C8 1.513(4) 4_556
C4 C5 1.392(4) .
C4 H4 0.9500 .
C5 H5 0.9500 .
N2 C7 1.490(3) 7_566
N2 C6 1.495(3) .
N2 C8 1.497(4) .
C6 C7 1.511(4) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 N2 1.490(3) 7_566
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 C3 1.513(4) 4_546
C8 H8A 0.9900 .
C8 H8B 0.9900 .
Sb1 F3 1.849(2) .
Sb1 F3 1.849(2) 7_657
Sb1 F1 1.856(2) 7_657
Sb1 F1 1.856(2) .
Sb1 F2 1.8808(18) 7_657
Sb1 F2 1.8808(18) .
Sb2 F5A 1.832(4) 2
Sb2 F5A 1.832(4) .
Sb2 F6 1.835(5) 2
Sb2 F6 1.835(5) .
Sb2 F4 1.839(4) .
Sb2 F4 1.839(4) 2
Sb2 F5 1.900(4) 2
Sb2 F5 1.900(5) .
Sb2 F6A 1.907(4) 2
Sb2 F6A 1.907(4) .
Sb2 F4A 1.920(4) 2
Sb2 F4A 1.920(4) .
