#------------------------------------------------------------------------------
#$Date: 2016-03-25 22:51:44 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180017 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/11/7031104.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_7031104
loop_
_publ_author_name
'Crespo, Olga'
'Gimeno, M Concepción'
'Laguna, Antonio'
'Marriott, Rosie'
'Sáez-Rocher, José M'
'Villacampa, M. Dolores'
_publ_section_title
;
 A comparative study of structural patterns and luminescent properties of
 silver-DAFO complexes with carborane- versus
 "classical"-diphosphanes.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12214
_journal_page_last               12220
_journal_paper_doi               10.1039/c4dt00797b
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C39 H32 Ag Cl2 F3 N2 O4 P2 S'
_chemical_formula_weight         922.44
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                117.169(2)
_cell_angle_beta                 102.567(2)
_cell_angle_gamma                101.203(2)
_cell_formula_units_Z            2
_cell_length_a                   12.5125(3)
_cell_length_b                   13.1269(3)
_cell_length_c                   13.9163(3)
_cell_measurement_reflns_used    17763
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      1.0000
_cell_measurement_theta_min      0.9500
_cell_volume                     1867.91(9)
_computing_cell_refinement       'Crysalis CCD'
_computing_data_collection       'Crysalis CCD'
_computing_data_reduction        'Crysalis RED'
_computing_molecular_graphics    'Siemens XP'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 16.06
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Xcalibur Oxford Diffraction'
_diffrn_measurement_method       w/-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  0.0317
_diffrn_reflns_av_sigmaI/netI    0.0228
_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       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            34877
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         4.18
_exptl_absorpt_coefficient_mu    0.884
_exptl_absorpt_correction_T_max  0.8937
_exptl_absorpt_correction_T_min  0.6189
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.640
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'Irregular prism'
_exptl_crystal_F_000             932
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.13
_refine_diff_density_max         3.260
_refine_diff_density_min         -2.327
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     477
_refine_ls_number_reflns         6548
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0656
_refine_ls_R_factor_gt           0.0600
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0774P)²+11.5637P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1509
_refine_ls_wR_factor_ref         0.1554
_reflns_number_gt                5955
_reflns_number_total             6548
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt00797b1.cif
_cod_data_source_block           ol112
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/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 

 Adding full bibliography for 7031104--7031106.cif.
;
_cod_original_cell_volume        1867.91(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7031104
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_group
Ag1 Ag 0.90150(3) 0.68745(3) 0.89975(3) 0.02239(14) Uani 1 1 d . .
P1 P 1.07416(10) 0.65958(11) 0.98831(10) 0.0179(3) Uani 1 1 d . .
P2 P 0.87584(11) 0.83135(11) 0.84115(10) 0.0191(3) Uani 1 1 d . .
N1 N 0.7248(4) 0.5345(4) 0.8425(4) 0.0228(9) Uani 1 1 d . .
N2 N 0.8792(4) 0.4813(4) 0.6986(4) 0.0296(10) Uani 1 1 d . .
C1 C 0.6433(5) 0.5374(5) 0.8921(5) 0.0266(11) Uani 1 1 d . .
H1 H 0.6620 0.6008 0.9673 0.032 Uiso 1 1 calc R .
C2 C 0.5334(5) 0.4510(5) 0.8369(5) 0.0308(12) Uani 1 1 d . .
H2 H 0.4807 0.4568 0.8755 0.037 Uiso 1 1 calc R .
C3 C 0.5009(5) 0.3551(5) 0.7238(5) 0.0328(13) Uani 1 1 d . .
H3 H 0.4267 0.2971 0.6843 0.039 Uiso 1 1 calc R .
C4 C 0.5853(5) 0.3510(5) 0.6737(5) 0.0312(12) Uani 1 1 d . .
C5 C 0.5852(5) 0.2619(5) 0.5580(5) 0.0359(13) Uani 1 1 d . .
C6 C 0.7053(5) 0.3096(5) 0.5588(5) 0.0317(12) Uani 1 1 d . .
C7 C 0.7581(6) 0.2686(6) 0.4783(5) 0.0424(15) Uani 1 1 d . .
H7 H 0.7185 0.1985 0.4060 0.051 Uiso 1 1 calc R .
C8 C 0.8731(6) 0.3364(6) 0.5099(5) 0.0444(16) Uani 1 1 d . .
H8 H 0.9123 0.3128 0.4581 0.053 Uiso 1 1 calc R .
C9 C 0.9293(6) 0.4397(6) 0.6191(5) 0.0378(14) Uani 1 1 d . .
H9 H 1.0066 0.4828 0.6385 0.045 Uiso 1 1 calc R .
C10 C 0.7690(5) 0.4150(5) 0.6658(4) 0.0256(11) Uani 1 1 d . .
C11 C 0.6940(4) 0.4408(4) 0.7364(4) 0.0239(11) Uani 1 1 d . .
C21 C 1.1721(4) 0.6639(4) 0.9101(4) 0.0211(10) Uani 1 1 d . .
C22 C 1.1876(5) 0.7552(5) 0.8846(5) 0.0310(12) Uani 1 1 d . .
H22 H 1.1517 0.8131 0.9114 0.037 Uiso 1 1 calc R .
C23 C 1.2549(6) 0.7613(6) 0.8203(6) 0.0395(14) Uani 1 1 d . .
H23 H 1.2641 0.8226 0.8034 0.047 Uiso 1 1 calc R .
C24 C 1.3097(5) 0.6753(5) 0.7804(5) 0.0353(13) Uani 1 1 d . .
H24 H 1.3559 0.6794 0.7373 0.042 Uiso 1 1 calc R .
C25 C 1.2949(5) 0.5849(5) 0.8051(5) 0.0310(12) Uani 1 1 d . .
H25 H 1.3315 0.5276 0.7786 0.037 Uiso 1 1 calc R .
C26 C 1.2261(4) 0.5773(5) 0.8692(4) 0.0246(11) Uani 1 1 d . .
H26 H 1.2161 0.5150 0.8848 0.030 Uiso 1 1 calc R .
C31 C 1.1643(4) 0.7609(4) 1.1402(4) 0.0210(10) Uani 1 1 d . .
C32 C 1.2831(5) 0.7852(5) 1.1803(4) 0.0255(11) Uani 1 1 d . .
H32 H 1.3200 0.7499 1.1289 0.031 Uiso 1 1 calc R .
C33 C 1.3472(5) 0.8623(5) 1.2974(5) 0.0311(12) Uani 1 1 d . .
H33 H 1.4273 0.8800 1.3241 0.037 Uiso 1 1 calc R .
C34 C 1.2917(5) 0.9129(5) 1.3744(5) 0.0335(13) Uani 1 1 d . .
H34 H 1.3345 0.9636 1.4529 0.040 Uiso 1 1 calc R .
C35 C 1.1729(5) 0.8881(5) 1.3349(5) 0.0326(13) Uani 1 1 d . .
H35 H 1.1359 0.9218 1.3867 0.039 Uiso 1 1 calc R .
C37 C 1.0428(4) 0.5081(4) 0.9700(4) 0.0193(10) Uani 1 1 d . .
H37A H 1.0094 0.4462 0.8885 0.023 Uiso 1 1 calc R .
H37B H 1.1143 0.4988 1.0029 0.023 Uiso 1 1 calc R .
C41 C 0.7441(4) 0.8685(4) 0.8493(4) 0.0217(10) Uani 1 1 d . .
C42 C 0.6960(5) 0.8548(5) 0.9257(5) 0.0285(12) Uani 1 1 d . .
H42 H 0.7306 0.8257 0.9695 0.034 Uiso 1 1 calc R .
C43 C 0.5980(6) 0.8837(6) 0.9370(5) 0.0368(13) Uani 1 1 d . .
H43 H 0.5667 0.8747 0.9886 0.044 Uiso 1 1 calc R .
C44 C 0.5457(5) 0.9264(5) 0.8718(5) 0.0341(13) Uani 1 1 d . .
H44 H 0.4797 0.9466 0.8801 0.041 Uiso 1 1 calc R .
C45 C 0.5912(5) 0.9389(5) 0.7950(5) 0.0300(12) Uani 1 1 d . .
H45 H 0.5550 0.9662 0.7503 0.036 Uiso 1 1 calc R .
C46 C 0.6905(4) 0.9110(5) 0.7838(4) 0.0257(11) Uani 1 1 d . .
H46 H 0.7216 0.9207 0.7323 0.031 Uiso 1 1 calc R .
C51 C 0.8730(4) 0.7921(4) 0.6973(4) 0.0220(10) Uani 1 1 d . .
C52 C 0.8051(6) 0.6748(5) 0.6075(5) 0.0372(14) Uani 1 1 d . .
H52 H 0.7667 0.6195 0.6235 0.045 Uiso 1 1 calc R .
C53 C 0.7937(7) 0.6391(6) 0.4950(5) 0.0473(17) Uani 1 1 d . .
H53 H 0.7479 0.5602 0.4359 0.057 Uiso 1 1 calc R .
C54 C 0.8499(5) 0.7199(5) 0.4698(5) 0.0345(13) Uani 1 1 d . .
H54 H 0.8410 0.6961 0.3936 0.041 Uiso 1 1 calc R .
C55 C 0.9193(5) 0.8355(5) 0.5577(5) 0.0293(12) Uani 1 1 d . .
H55 H 0.9583 0.8900 0.5412 0.035 Uiso 1 1 calc R .
C56 C 0.9314(5) 0.8716(5) 0.6716(4) 0.0260(11) Uani 1 1 d . .
H56 H 0.9792 0.9499 0.7307 0.031 Uiso 1 1 calc R .
C57 C 0.9909(4) 0.9797(4) 0.9371(4) 0.0213(10) Uani 1 1 d . .
H57A H 1.0628 0.9745 0.9230 0.026 Uiso 1 1 calc R .
H57B H 0.9698 1.0393 0.9213 0.026 Uiso 1 1 calc R .
S2 S 0.20063(11) 0.19573(11) 0.77784(11) 0.0247(3) Uani 1 1 d . .
F4 F 0.3995(4) 0.1660(4) 0.8444(4) 0.0587(11) Uani 1 1 d . .
F5 F 0.2517(5) 0.0014(4) 0.7493(4) 0.0681(14) Uani 1 1 d . .
F6 F 0.3208(4) 0.0809(4) 0.6610(4) 0.0588(12) Uani 1 1 d . .
O14 O 0.1762(3) 0.2012(4) 0.8764(3) 0.0307(8) Uani 1 1 d . .
O15 O 0.2720(3) 0.3096(3) 0.7996(3) 0.0312(8) Uani 1 1 d . .
O16 O 0.1037(4) 0.1250(4) 0.6716(3) 0.0417(10) Uani 1 1 d . .
C201 C 0.2971(6) 0.1055(6) 0.7565(6) 0.0408(15) Uani 1 1 d . .
O1 O 0.5071(4) 0.1705(4) 0.4813(4) 0.0494(12) Uani 1 1 d . .
Cl2 Cl 0.5284(6) 0.5811(6) 0.6493(6) 0.180(2) Uiso 1 1 d D .
C36 C 1.1089(5) 0.8131(5) 1.2179(5) 0.0266(11) Uani 1 1 d . .
H36 H 1.0292 0.7974 1.1912 0.032 Uiso 1 1 calc R .
Cl1 Cl 0.5094(10) 0.4167(9) 0.4445(10) 0.279(4) Uiso 1 1 d D .
C300 C 0.601(3) 0.479(4) 0.5876(10) 0.26(4) Uiso 0.56(6) 1 d PD 1
C301 C 0.429(3) 0.437(3) 0.537(2) 0.23(4) Uiso 0.44(6) 1 d PD 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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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 P2 113.18(11) . .
N1 Ag1 P1 114.43(11) . .
P2 Ag1 P1 132.08(4) . .
C21 P1 C31 105.1(2) . .
C21 P1 C37 104.7(2) . .
C31 P1 C37 103.4(2) . .
C21 P1 Ag1 107.41(16) . .
C31 P1 Ag1 122.67(17) . .
C37 P1 Ag1 112.11(16) . .
C51 P2 C41 104.5(2) . .
C51 P2 C57 104.6(2) . .
C41 P2 C57 102.8(2) . .
C51 P2 Ag1 117.65(16) . .
C41 P2 Ag1 114.02(16) . .
C57 P2 Ag1 111.78(16) . .
C11 N1 C1 115.6(4) . .
C11 N1 Ag1 113.4(3) . .
C1 N1 Ag1 130.0(3) . .
C10 N2 C9 114.8(5) . .
N1 C1 C2 123.3(5) . .
N1 C1 H1 118.3 . .
C2 C1 H1 118.3 . .
C1 C2 C3 120.4(5) . .
C1 C2 H2 119.8 . .
C3 C2 H2 119.8 . .
C4 C3 C2 116.2(5) . .
C4 C3 H3 121.9 . .
C2 C3 H3 121.9 . .
C3 C4 C11 119.3(5) . .
C3 C4 C5 131.9(5) . .
C11 C4 C5 108.8(5) . .
O1 C5 C4 127.9(6) . .
O1 C5 C6 127.2(6) . .
C4 C5 C6 105.0(5) . .
C7 C6 C10 118.9(6) . .
C7 C6 C5 132.8(5) . .
C10 C6 C5 108.3(5) . .
C6 C7 C8 117.0(6) . .
C6 C7 H7 121.5 . .
C8 C7 H7 121.5 . .
C9 C8 C7 119.6(6) . .
C9 C8 H8 120.2 . .
C7 C8 H8 120.2 . .
N2 C9 C8 124.2(6) . .
N2 C9 H9 117.9 . .
C8 C9 H9 117.9 . .
N2 C10 C6 125.4(5) . .
N2 C10 C11 125.8(5) . .
C6 C10 C11 108.9(5) . .
N1 C11 C4 125.1(5) . .
N1 C11 C10 125.8(5) . .
C4 C11 C10 109.1(5) . .
C22 C21 C26 119.0(5) . .
C22 C21 P1 117.1(4) . .
C26 C21 P1 123.7(4) . .
C23 C22 C21 121.0(5) . .
C23 C22 H22 119.5 . .
C21 C22 H22 119.5 . .
C22 C23 C24 119.9(5) . .
C22 C23 H23 120.1 . .
C24 C23 H23 120.1 . .
C25 C24 C23 119.5(5) . .
C25 C24 H24 120.2 . .
C23 C24 H24 120.2 . .
C24 C25 C26 121.1(5) . .
C24 C25 H25 119.5 . .
C26 C25 H25 119.5 . .
C25 C26 C21 119.5(5) . .
C25 C26 H26 120.3 . .
C21 C26 H26 120.3 . .
C32 C31 C36 119.8(5) . .
C32 C31 P1 122.6(4) . .
C36 C31 P1 117.6(4) . .
C31 C32 C33 120.0(5) . .
C31 C32 H32 120.0 . .
C33 C32 H32 120.0 . .
C34 C33 C32 120.0(5) . .
C34 C33 H33 120.0 . .
C32 C33 H33 120.0 . .
C35 C34 C33 120.2(5) . .
C35 C34 H34 119.9 . .
C33 C34 H34 119.9 . .
C34 C35 C36 120.1(5) . .
C34 C35 H35 120.0 . .
C36 C35 H35 120.0 . .
C37 C37 P1 109.6(4) 2_767 .
C37 C37 H37A 109.7 2_767 .
P1 C37 H37A 109.7 . .
C37 C37 H37B 109.7 2_767 .
P1 C37 H37B 109.7 . .
H37A C37 H37B 108.2 . .
C46 C41 C42 118.9(5) . .
C46 C41 P2 123.0(4) . .
C42 C41 P2 118.0(4) . .
C43 C42 C41 120.5(5) . .
C43 C42 H42 119.7 . .
C41 C42 H42 119.7 . .
C42 C43 C44 120.1(5) . .
C42 C43 H43 120.0 . .
C44 C43 H43 120.0 . .
C45 C44 C43 120.1(5) . .
C45 C44 H44 120.0 . .
C43 C44 H44 120.0 . .
C44 C45 C46 120.3(5) . .
C44 C45 H45 119.9 . .
C46 C45 H45 119.9 . .
C45 C46 C41 120.1(5) . .
C45 C46 H46 119.9 . .
C41 C46 H46 119.9 . .
C56 C51 C52 118.4(5) . .
C56 C51 P2 124.4(4) . .
C52 C51 P2 117.2(4) . .
C53 C52 C51 121.0(5) . .
C53 C52 H52 119.5 . .
C51 C52 H52 119.5 . .
C52 C53 C54 120.3(5) . .
C52 C53 H53 119.8 . .
C54 C53 H53 119.8 . .
C55 C54 C53 119.5(5) . .
C55 C54 H54 120.2 . .
C53 C54 H54 120.2 . .
C54 C55 C56 120.3(5) . .
C54 C55 H55 119.9 . .
C56 C55 H55 119.9 . .
C51 C56 C55 120.5(5) . .
C51 C56 H56 119.7 . .
C55 C56 H56 119.7 . .
C57 C57 P2 110.3(4) 2_777 .
C57 C57 H57A 109.6 2_777 .
P2 C57 H57A 109.6 . .
C57 C57 H57B 109.6 2_777 .
P2 C57 H57B 109.6 . .
H57A C57 H57B 108.1 . .
O16 S2 O15 115.9(2) . .
O16 S2 O14 114.9(2) . .
O15 S2 O14 114.6(2) . .
O16 S2 C201 103.3(3) . .
O15 S2 C201 102.8(3) . .
O14 S2 C201 102.6(3) . .
F5 C201 F6 108.3(5) . .
F5 C201 F4 107.4(6) . .
F6 C201 F4 106.7(5) . .
F5 C201 S2 111.9(5) . .
F6 C201 S2 111.3(4) . .
F4 C201 S2 111.1(4) . .
Cl1 Cl2 C300 92.2(11) 2_666 .
Cl1 Cl2 C301 70.1(19) 2_666 .
C300 Cl2 C301 68.6(19) . .
C35 C36 C31 119.9(5) . .
C35 C36 H36 120.0 . .
C31 C36 H36 120.0 . .
Cl2 Cl1 C301 121(2) 2_666 .
Cl2 Cl1 C300 154(2) 2_666 .
C301 Cl1 C300 68.6(19) . .
Cl2 Cl1 C301 67.0(14) 2_666 2_666
C301 Cl1 C301 106.9(13) . 2_666
C300 Cl1 C301 87(2) . 2_666
Cl2 Cl1 Cl1 95.5(9) 2_666 2_666
C301 Cl1 Cl1 54.3(14) . 2_666
C300 Cl1 Cl1 69.5(8) . 2_666
C301 Cl1 Cl1 52.6(6) 2_666 2_666
Cl2 Cl1 C300 52.0(8) 2_666 2_666
C301 Cl1 C300 75(2) . 2_666
C300 Cl1 C300 117.1(8) . 2_666
C301 Cl1 C300 58(2) 2_666 2_666
Cl1 Cl1 C300 47.6(4) 2_666 2_666
Cl1 C300 Cl2 94.9(6) . .
Cl1 C300 Cl1 62.9(8) . 2_666
Cl2 C300 Cl1 35.7(4) . 2_666
Cl1 C301 Cl2 94.9(6) . .
Cl1 C301 Cl1 73.1(13) . 2_666
Cl2 C301 Cl1 43.0(6) . 2_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N1 2.367(4) .
Ag1 P2 2.4217(12) .
Ag1 P1 2.4249(13) .
P1 C21 1.817(5) .
P1 C31 1.823(5) .
P1 C37 1.834(5) .
P2 C51 1.814(5) .
P2 C41 1.820(5) .
P2 C57 1.830(5) .
N1 C11 1.323(7) .
N1 C1 1.348(7) .
N2 C10 1.328(7) .
N2 C9 1.340(7) .
C1 C2 1.381(8) .
C1 H1 0.9300 .
C2 C3 1.393(8) .
C2 H2 0.9300 .
C3 C4 1.384(8) .
C3 H3 0.9300 .
C4 C11 1.386(7) .
C4 C5 1.495(8) .
C5 O1 1.206(7) .
C5 C6 1.507(9) .
C6 C7 1.374(9) .
C6 C10 1.394(7) .
C7 C8 1.388(10) .
C7 H7 0.9300 .
C8 C9 1.388(9) .
C8 H8 0.9300 .
C9 H9 0.9300 .
C10 C11 1.478(7) .
C21 C22 1.388(7) .
C21 C26 1.396(7) .
C22 C23 1.373(8) .
C22 H22 0.9300 .
C23 C24 1.395(9) .
C23 H23 0.9300 .
C24 C25 1.371(8) .
C24 H24 0.9300 .
C25 C26 1.388(8) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C31 C32 1.383(7) .
C31 C36 1.398(7) .
C32 C33 1.391(8) .
C32 H32 0.9300 .
C33 C34 1.387(9) .
C33 H33 0.9300 .
C34 C35 1.382(9) .
C34 H34 0.9300 .
C35 C36 1.387(8) .
C35 H35 0.9300 .
C37 C37 1.534(9) 2_767
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C41 C46 1.391(7) .
C41 C42 1.392(7) .
C42 C43 1.373(8) .
C42 H42 0.9300 .
C43 C44 1.383(8) .
C43 H43 0.9300 .
C44 C45 1.372(8) .
C44 H44 0.9300 .
C45 C46 1.383(8) .
C45 H45 0.9300 .
C46 H46 0.9300 .
C51 C56 1.383(7) .
C51 C52 1.388(7) .
C52 C53 1.377(8) .
C52 H52 0.9300 .
C53 C54 1.378(9) .
C53 H53 0.9300 .
C54 C55 1.373(8) .
C54 H54 0.9300 .
C55 C56 1.393(7) .
C55 H55 0.9300 .
C56 H56 0.9300 .
C57 C57 1.526(9) 2_777
C57 H57A 0.9700 .
C57 H57B 0.9700 .
S2 O16 1.430(4) .
S2 O15 1.440(4) .
S2 O14 1.443(4) .
S2 C201 1.827(6) .
F4 C201 1.343(8) .
F5 C201 1.322(7) .
F6 C201 1.333(7) .
Cl2 Cl1 1.304(11) 2_666
Cl2 C300 1.761(2) .
Cl2 C301 1.761(2) .
C36 H36 0.9300 .
Cl1 Cl2 1.304(11) 2_666
Cl1 C301 1.760(2) .
Cl1 C300 1.760(2) .
Cl1 C301 1.80(4) 2_666
Cl1 Cl1 2.12(2) 2_666
Cl1 C300 2.23(2) 2_666
C300 Cl1 2.23(2) 2_666
C301 Cl1 1.80(4) 2_666
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C2 H2 O15 0.93 2.58 3.229(7) 127.6 .
C1 H1 O14 0.93 2.54 3.314(7) 140.6 2_667
C42 H42 O14 0.93 2.42 3.326(6) 165.4 2_667
C36 H36 O14 0.93 2.54 3.459(7) 167.9 2_667
C43 H43 F4 0.93 2.58 3.385(7) 145.1 2_667
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N1 Ag1 P1 C21 126.3(2) . .
P2 Ag1 P1 C21 -46.66(18) . .
N1 Ag1 P1 C31 -112.0(2) . .
P2 Ag1 P1 C31 75.0(2) . .
N1 Ag1 P1 C37 11.8(2) . .
P2 Ag1 P1 C37 -161.12(17) . .
N1 Ag1 P2 C51 -85.6(2) . .
P1 Ag1 P2 C51 87.4(2) . .
N1 Ag1 P2 C41 37.2(2) . .
P1 Ag1 P2 C41 -149.78(17) . .
N1 Ag1 P2 C57 153.3(2) . .
P1 Ag1 P2 C57 -33.71(19) . .
P2 Ag1 N1 C11 85.4(4) . .
P1 Ag1 N1 C11 -88.9(4) . .
P2 Ag1 N1 C1 -81.9(4) . .
P1 Ag1 N1 C1 103.8(4) . .
C11 N1 C1 C2 -1.4(8) . .
Ag1 N1 C1 C2 165.8(4) . .
N1 C1 C2 C3 -0.7(9) . .
C1 C2 C3 C4 1.8(8) . .
C2 C3 C4 C11 -0.8(8) . .
C2 C3 C4 C5 177.6(6) . .
C3 C4 C5 O1 -0.4(11) . .
C11 C4 C5 O1 178.2(6) . .
C3 C4 C5 C6 -179.0(6) . .
C11 C4 C5 C6 -0.5(6) . .
O1 C5 C6 C7 1.5(12) . .
C4 C5 C6 C7 -179.8(7) . .
O1 C5 C6 C10 -177.7(6) . .
C4 C5 C6 C10 1.0(6) . .
C10 C6 C7 C8 -0.1(9) . .
C5 C6 C7 C8 -179.2(6) . .
C6 C7 C8 C9 0.7(10) . .
C10 N2 C9 C8 0.5(9) . .
C7 C8 C9 N2 -0.9(10) . .
C9 N2 C10 C6 0.2(8) . .
C9 N2 C10 C11 -179.8(5) . .
C7 C6 C10 N2 -0.4(9) . .
C5 C6 C10 N2 179.0(5) . .
C7 C6 C10 C11 179.6(5) . .
C5 C6 C10 C11 -1.0(6) . .
C1 N1 C11 C4 2.4(8) . .
Ag1 N1 C11 C4 -166.8(4) . .
C1 N1 C11 C10 -177.6(5) . .
Ag1 N1 C11 C10 13.1(6) . .
C3 C4 C11 N1 -1.4(9) . .
C5 C4 C11 N1 179.9(5) . .
C3 C4 C11 C10 178.7(5) . .
C5 C4 C11 C10 -0.1(6) . .
N2 C10 C11 N1 0.8(9) . .
C6 C10 C11 N1 -179.2(5) . .
N2 C10 C11 C4 -179.3(5) . .
C6 C10 C11 C4 0.7(6) . .
C31 P1 C21 C22 -87.2(4) . .
C37 P1 C21 C22 164.2(4) . .
Ag1 P1 C21 C22 44.9(4) . .
C31 P1 C21 C26 96.7(4) . .
C37 P1 C21 C26 -11.9(5) . .
Ag1 P1 C21 C26 -131.2(4) . .
C26 C21 C22 C23 -0.1(9) . .
P1 C21 C22 C23 -176.4(5) . .
C21 C22 C23 C24 -0.5(10) . .
C22 C23 C24 C25 0.5(10) . .
C23 C24 C25 C26 0.1(9) . .
C24 C25 C26 C21 -0.7(8) . .
C22 C21 C26 C25 0.7(8) . .
P1 C21 C26 C25 176.7(4) . .
C21 P1 C31 C32 -25.9(5) . .
C37 P1 C31 C32 83.6(4) . .
Ag1 P1 C31 C32 -148.6(4) . .
C21 P1 C31 C36 155.5(4) . .
C37 P1 C31 C36 -94.9(4) . .
Ag1 P1 C31 C36 32.8(4) . .
C36 C31 C32 C33 -0.7(7) . .
P1 C31 C32 C33 -179.3(4) . .
C31 C32 C33 C34 1.4(8) . .
C32 C33 C34 C35 -0.8(8) . .
C33 C34 C35 C36 -0.3(8) . .
C21 P1 C37 C37 -178.4(4) . 2_767
C31 P1 C37 C37 71.8(5) . 2_767
Ag1 P1 C37 C37 -62.3(5) . 2_767
C51 P2 C41 C46 -26.2(5) . .
C57 P2 C41 C46 82.8(4) . .
Ag1 P2 C41 C46 -156.0(4) . .
C51 P2 C41 C42 154.5(4) . .
C57 P2 C41 C42 -96.5(4) . .
Ag1 P2 C41 C42 24.7(4) . .
C46 C41 C42 C43 -0.6(8) . .
P2 C41 C42 C43 178.7(5) . .
C41 C42 C43 C44 0.3(9) . .
C42 C43 C44 C45 0.5(9) . .
C43 C44 C45 C46 -1.1(9) . .
C44 C45 C46 C41 0.9(8) . .
C42 C41 C46 C45 0.0(8) . .
P2 C41 C46 C45 -179.3(4) . .
C41 P2 C51 C56 96.7(5) . .
C57 P2 C51 C56 -11.0(5) . .
Ag1 P2 C51 C56 -135.7(4) . .
C41 P2 C51 C52 -81.7(5) . .
C57 P2 C51 C52 170.6(5) . .
Ag1 P2 C51 C52 45.9(5) . .
C56 C51 C52 C53 -1.6(9) . .
P2 C51 C52 C53 177.0(6) . .
C51 C52 C53 C54 0.0(11) . .
C52 C53 C54 C55 1.3(11) . .
C53 C54 C55 C56 -0.9(9) . .
C52 C51 C56 C55 1.9(8) . .
P2 C51 C56 C55 -176.5(4) . .
C54 C55 C56 C51 -0.7(8) . .
C51 P2 C57 C57 -175.9(5) . 2_777
C41 P2 C57 C57 75.2(5) . 2_777
Ag1 P2 C57 C57 -47.6(5) . 2_777
O16 S2 C201 F5 -66.9(5) . .
O15 S2 C201 F5 172.1(5) . .
O14 S2 C201 F5 52.9(5) . .
O16 S2 C201 F6 54.4(5) . .
O15 S2 C201 F6 -66.5(5) . .
O14 S2 C201 F6 174.2(5) . .
O16 S2 C201 F4 173.1(4) . .
O15 S2 C201 F4 52.1(5) . .
O14 S2 C201 F4 -67.1(5) . .
C34 C35 C36 C31 1.0(8) . .
C32 C31 C36 C35 -0.4(7) . .
P1 C31 C36 C35 178.2(4) . .
Cl2 Cl1 C300 Cl2 75(4) 2_666 .
C301 Cl1 C300 Cl2 -42(2) . .
C301 Cl1 C300 Cl2 67(2) 2_666 .
Cl1 Cl1 C300 Cl2 16.4(15) 2_666 .
C300 Cl1 C300 Cl2 16.4(15) 2_666 .
Cl2 Cl1 C300 Cl1 59(2) 2_666 2_666
C301 Cl1 C300 Cl1 -58.5(18) . 2_666
C301 Cl1 C300 Cl1 51.1(12) 2_666 2_666
C300 Cl1 C300 Cl1 0.000(2) 2_666 2_666
Cl1 Cl2 C300 Cl1 -26(2) 2_666 .
C301 Cl2 C300 Cl1 42(2) . .
C301 Cl2 C300 Cl1 68(2) . 2_666
Cl2 Cl1 C301 Cl2 -110(2) 2_666 .
C300 Cl1 C301 Cl2 42(2) . .
C301 Cl1 C301 Cl2 -37.5(12) 2_666 .
Cl1 Cl1 C301 Cl2 -37.5(12) 2_666 .
C300 Cl1 C301 Cl2 -86(2) 2_666 .
Cl2 Cl1 C301 Cl1 -72.9(10) 2_666 2_666
C300 Cl1 C301 Cl1 79.5(17) . 2_666
C301 Cl1 C301 Cl1 0.000(2) 2_666 2_666
C300 Cl1 C301 Cl1 -48.5(15) 2_666 2_666
Cl1 Cl2 C301 Cl1 59(2) 2_666 .
C300 Cl2 C301 Cl1 -42(2) . .
C300 Cl2 C301 Cl1 -100.7(18) . 2_666
