#------------------------------------------------------------------------------
#$Date: 2016-02-05 00:45:16 +0200 (Fri, 05 Feb 2016) $
#$Revision: 175986 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/74/7037497.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_7037497
loop_
_publ_author_name
'Bresien, Jonas'
'Schulz, Axel'
'Villinger, Alexander'
_publ_section_title
;
 Low temperature isolation of a dinuclear silver complex of the
 cyclotetraphosphane [ClP(μ-PMes*)]2.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              498
_journal_page_last               501
_journal_paper_doi               10.1039/c5dt03928b
_journal_volume                  45
_journal_year                    2015
_chemical_formula_moiety
'C72 H116 P8 Cl4 Ag2 2+, 2(C12 H4 O4 F24 Al -), 6.80(C H2 Cl2)'
_chemical_formula_sum            'C102.8 H137.6 Ag2 Al2 Cl17.6 F48 O8 P8'
_chemical_formula_weight         3554.70
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-08-10 deposited with the CCDC.
2015-12-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.717(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.6865(7)
_cell_length_b                   20.7791(12)
_cell_length_c                   27.4127(14)
_cell_measurement_reflns_used    9981
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.75
_cell_measurement_theta_min      2.45
_cell_volume                     7604.7(7)
_computing_cell_refinement       'Bruker Apex V7.51A'
_computing_data_collection       'Bruker Apex V7.51A'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP-3v2.01 (Farrugia, 1997)'
_computing_publication_material  SHELXL-2013
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Apex Kappa II-CCD-diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0683
_diffrn_reflns_av_unetI/netI     0.0562
_diffrn_reflns_laue_measured_fraction_full 0.998
_diffrn_reflns_laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            82352
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         1.523
_exptl_absorpt_coefficient_mu    0.768
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.6603
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3579
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.130
_refine_diff_density_max         0.765
_refine_diff_density_min         -0.533
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1422
_refine_ls_number_reflns         14940
_refine_ls_number_restraints     2115
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0993
_refine_ls_R_factor_gt           0.0557
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0495P)²+14.6000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1235
_refine_ls_wR_factor_ref         0.1461
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9819
_reflns_number_total             14940
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt03928b2.cif
_cod_data_source_block           jb166_[Mes2P4Cl2Ag]2_2[Al(ORF)4]_CH2Cl2_solvate
_cod_depositor_comments          'Adding full bibliography for 7037497.cif.'
_cod_original_formula_sum        'C102.80 H137.60 Ag2 Al2 Cl17.60 F48 O8 P8'
_cod_database_code               7037497
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.775
_shelx_estimated_absorpt_t_max   0.907
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
P1A P 0.57801(10) 0.61324(7) 0.55363(5) 0.0261(3) Uani 0.9563(15) 1 d D . P A 1
P2A P 0.55249(10) 0.66055(7) 0.47865(5) 0.0317(3) Uani 0.9563(15) 1 d D . P A 1
P3A P 0.40207(10) 0.61441(8) 0.46829(5) 0.0268(3) Uani 0.9563(15) 1 d D . P A 1
P4A P 0.41711(10) 0.63813(7) 0.54978(5) 0.0307(3) Uani 0.9563(15) 1 d D . P A 1
Cl1A Cl 0.5169(1) 0.75185(6) 0.49826(5) 0.0470(4) Uani 0.9563(15) 1 d D . P A 1
Cl2A Cl 0.3690(1) 0.55305(7) 0.57599(5) 0.0440(3) Uani 0.9563(15) 1 d D . P A 1
P1B P 0.588(2) 0.6172(16) 0.5416(8) 0.0261(3) Uani 0.0437(15) 1 d D . P A 2
P2B P 0.4321(19) 0.6531(11) 0.5370(10) 0.0317(3) Uani 0.0437(15) 1 d D . P A 2
P3B P 0.4079(16) 0.6160(18) 0.4589(12) 0.0268(3) Uani 0.0437(15) 1 d D . P A 2
P4B P 0.5645(18) 0.6528(11) 0.4626(8) 0.0307(3) Uani 0.0437(15) 1 d D . P A 2
Cl1B Cl 0.454(2) 0.7488(10) 0.5235(11) 0.0470(4) Uani 0.0437(15) 1 d D . P A 2
Cl2B Cl 0.6254(17) 0.5769(12) 0.4308(9) 0.0440(3) Uani 0.0437(15) 1 d D . P A 2
Ag1 Ag 0.58920(2) 0.49904(2) 0.54458(2) 0.03261(10) Uani 1 1 d . . . . .
C1 C 0.6615(3) 0.6715(2) 0.59167(16) 0.0297(10) Uani 1 1 d . . . . .
C2 C 0.6324(3) 0.7003(2) 0.63322(17) 0.0339(10) Uani 1 1 d . . . . .
C3 C 0.6553(4) 0.7644(2) 0.64204(18) 0.0412(12) Uani 1 1 d . . . . .
H3 H 0.6312 0.7856 0.6678 0.049 Uiso 1 1 calc R U . . .
C4 C 0.7121(4) 0.7997(2) 0.61513(19) 0.0428(12) Uani 1 1 d . . . . .
C5 C 0.7579(4) 0.7651(2) 0.58338(18) 0.0405(12) Uani 1 1 d . . . . .
H5 H 0.8063 0.7863 0.5690 0.049 Uiso 1 1 calc R U . . .
C6 C 0.7371(3) 0.7009(2) 0.57130(16) 0.0319(10) Uani 1 1 d . . . . .
C7 C 0.5901(3) 0.6636(3) 0.67286(17) 0.0398(12) Uani 1 1 d . . . . .
C8 C 0.4847(4) 0.6861(3) 0.6757(2) 0.0531(15) Uani 1 1 d . . . . .
H8A H 0.4621 0.6619 0.7019 0.080 Uiso 1 1 calc R U . . .
H8B H 0.4384 0.6787 0.6435 0.080 Uiso 1 1 calc R U . . .
H8C H 0.4863 0.7321 0.6837 0.080 Uiso 1 1 calc R U . . .
C9 C 0.5936(4) 0.5905(3) 0.66630(18) 0.0464(13) Uani 1 1 d . . . . .
H9A H 0.5812 0.5693 0.6963 0.070 Uiso 1 1 calc R U . . .
H9B H 0.6597 0.5780 0.6613 0.070 Uiso 1 1 calc R U . . .
H9C H 0.5420 0.5776 0.6372 0.070 Uiso 1 1 calc R U . . .
C10 C 0.6604(4) 0.6773(3) 0.72380(19) 0.0578(16) Uani 1 1 d . . . . .
H10A H 0.6610 0.7236 0.7307 0.087 Uiso 1 1 calc R U . . .
H10B H 0.7283 0.6630 0.7232 0.087 Uiso 1 1 calc R U . . .
H10C H 0.6366 0.6540 0.7500 0.087 Uiso 1 1 calc R U . . .
C11 C 0.7268(4) 0.8720(3) 0.6224(2) 0.0614(14) Uani 1 1 d D U . . .
C12A C 0.6292(8) 0.9053(5) 0.6123(5) 0.090(3) Uani 0.637(7) 1 d D U P B 1
H12A H 0.6395 0.9512 0.6195 0.135 Uiso 0.637(7) 1 calc R U P B 1
H12B H 0.5872 0.8871 0.6336 0.135 Uiso 0.637(7) 1 calc R U P B 1
H12C H 0.5959 0.8995 0.5771 0.135 Uiso 0.637(7) 1 calc R U P B 1
C13A C 0.7795(9) 0.8860(5) 0.6772(4) 0.079(3) Uani 0.637(7) 1 d D U P B 1
H13A H 0.7842 0.9326 0.6826 0.118 Uiso 0.637(7) 1 calc R U P B 1
H13B H 0.8469 0.8673 0.6841 0.118 Uiso 0.637(7) 1 calc R U P B 1
H13C H 0.7408 0.8668 0.6996 0.118 Uiso 0.637(7) 1 calc R U P B 1
C14A C 0.7979(9) 0.9011(5) 0.5911(4) 0.083(3) Uani 0.637(7) 1 d D U P B 1
H14A H 0.7680 0.8958 0.5554 0.124 Uiso 0.637(7) 1 calc R U P B 1
H14B H 0.8625 0.8788 0.5993 0.124 Uiso 0.637(7) 1 calc R U P B 1
H14C H 0.8079 0.9470 0.5989 0.124 Uiso 0.637(7) 1 calc R U P B 1
C12B C 0.8338(11) 0.8837(9) 0.6413(8) 0.088(4) Uani 0.363(7) 1 d D U P B 2
H12D H 0.8451 0.9298 0.6479 0.132 Uiso 0.363(7) 1 calc R U P B 2
H12E H 0.8707 0.8698 0.6163 0.132 Uiso 0.363(7) 1 calc R U P B 2
H12F H 0.8573 0.8595 0.6723 0.132 Uiso 0.363(7) 1 calc R U P B 2
C13B C 0.6886(16) 0.9014(8) 0.5708(5) 0.084(4) Uani 0.363(7) 1 d D U P B 2
H13D H 0.7266 0.8838 0.5475 0.126 Uiso 0.363(7) 1 calc R U P B 2
H13E H 0.6972 0.9482 0.5728 0.126 Uiso 0.363(7) 1 calc R U P B 2
H13F H 0.6174 0.8911 0.5589 0.126 Uiso 0.363(7) 1 calc R U P B 2
C14B C 0.6616(15) 0.8986(9) 0.6574(7) 0.087(4) Uani 0.363(7) 1 d D U P B 2
H14D H 0.5918 0.8855 0.6448 0.131 Uiso 0.363(7) 1 calc R U P B 2
H14E H 0.6657 0.9457 0.6583 0.131 Uiso 0.363(7) 1 calc R U P B 2
H14F H 0.6859 0.8815 0.6912 0.131 Uiso 0.363(7) 1 calc R U P B 2
C15 C 0.8071(3) 0.6670(2) 0.54221(18) 0.0370(11) Uani 1 1 d . . . . .
C16 C 0.9122(4) 0.6704(3) 0.5769(2) 0.0552(15) Uani 1 1 d . . . . .
H16A H 0.9118 0.6475 0.6081 0.083 Uiso 1 1 calc R U . . .
H16B H 0.9305 0.7155 0.5844 0.083 Uiso 1 1 calc R U . . .
H16C H 0.9611 0.6503 0.5604 0.083 Uiso 1 1 calc R U . . .
C17 C 0.8094(4) 0.7020(3) 0.49298(19) 0.0490(13) Uani 1 1 d . . . . .
H17A H 0.8578 0.6808 0.4767 0.074 Uiso 1 1 calc R U . . .
H17B H 0.8292 0.7469 0.5001 0.074 Uiso 1 1 calc R U . . .
H17C H 0.7427 0.7004 0.4708 0.074 Uiso 1 1 calc R U . . .
C18 C 0.7872(4) 0.5954(2) 0.53174(19) 0.0435(12) Uani 1 1 d . . . . .
H18A H 0.7804 0.5737 0.5626 0.065 Uiso 1 1 calc R U . . .
H18B H 0.8432 0.5765 0.5198 0.065 Uiso 1 1 calc R U . . .
H18C H 0.7252 0.5902 0.5062 0.065 Uiso 1 1 calc R U . . .
C19 C 0.3176(3) 0.6721(2) 0.42987(16) 0.0295(10) Uani 1 1 d . . . . .
C20 C 0.3523(3) 0.7079(2) 0.39269(17) 0.0351(11) Uani 1 1 d . . . . .
C21 C 0.3206(4) 0.7715(2) 0.38559(19) 0.0433(12) Uani 1 1 d . . . . .
H21 H 0.3456 0.7969 0.3622 0.052 Uiso 1 1 calc R U . . .
C22 C 0.2541(4) 0.7997(3) 0.41093(19) 0.0440(12) Uani 1 1 d . . . . .
C23 C 0.2073(4) 0.7591(3) 0.43849(18) 0.0416(12) Uani 1 1 d . . . . .
H23 H 0.1545 0.7758 0.4521 0.050 Uiso 1 1 calc R U . . .
C24 C 0.2338(3) 0.6947(2) 0.44721(16) 0.0302(10) Uani 1 1 d . . . . .
C25 C 0.4123(4) 0.6804(3) 0.35541(18) 0.0422(12) Uani 1 1 d . . . . .
C26 C 0.4337(4) 0.6081(3) 0.36025(19) 0.0497(14) Uani 1 1 d . . . . .
H26A H 0.3724 0.5851 0.3628 0.074 Uiso 1 1 calc R U . . .
H26B H 0.4859 0.5999 0.3903 0.074 Uiso 1 1 calc R U . . .
H26C H 0.4564 0.5929 0.3308 0.074 Uiso 1 1 calc R U . . .
C27 C 0.5100(4) 0.7173(3) 0.3572(2) 0.0552(15) Uani 1 1 d . . . . .
H27A H 0.5525 0.7146 0.3909 0.083 Uiso 1 1 calc R U . . .
H27B H 0.4947 0.7625 0.3486 0.083 Uiso 1 1 calc R U . . .
H27C H 0.5453 0.6984 0.3332 0.083 Uiso 1 1 calc R U . . .
C28 C 0.3445(4) 0.6903(3) 0.3034(2) 0.0612(16) Uani 1 1 d . . . . .
H28A H 0.3762 0.6712 0.2781 0.092 Uiso 1 1 calc R U . . .
H28B H 0.3343 0.7364 0.2969 0.092 Uiso 1 1 calc R U . . .
H28C H 0.2797 0.6695 0.3021 0.092 Uiso 1 1 calc R U . . .
C29 C 0.2357(5) 0.8726(3) 0.4091(2) 0.0597(14) Uani 1 1 d D U . . .
C30A C 0.3293(8) 0.9033(4) 0.4438(4) 0.079(3) Uani 0.778(12) 1 d D U P C 1
H30A H 0.3876 0.8977 0.4289 0.119 Uiso 0.778(12) 1 calc R U P C 1
H30B H 0.3420 0.8821 0.4766 0.119 Uiso 0.778(12) 1 calc R U P C 1
H30C H 0.3174 0.9492 0.4478 0.119 Uiso 0.778(12) 1 calc R U P C 1
C31A C 0.2237(9) 0.8991(4) 0.3576(3) 0.065(2) Uani 0.778(12) 1 d D U P C 1
H31A H 0.2841 0.8901 0.3451 0.097 Uiso 0.778(12) 1 calc R U P C 1
H31B H 0.2133 0.9458 0.3584 0.097 Uiso 0.778(12) 1 calc R U P C 1
H31C H 0.1657 0.8790 0.3355 0.097 Uiso 0.778(12) 1 calc R U P C 1
C32A C 0.1452(8) 0.8912(4) 0.4309(4) 0.081(3) Uani 0.778(12) 1 d D U P C 1
H32A H 0.1404 0.9382 0.4324 0.121 Uiso 0.778(12) 1 calc R U P C 1
H32B H 0.1538 0.8733 0.4647 0.121 Uiso 0.778(12) 1 calc R U P C 1
H32C H 0.0838 0.8739 0.4096 0.121 Uiso 0.778(12) 1 calc R U P C 1
C30B C 0.273(3) 0.9080(15) 0.4586(7) 0.079(5) Uani 0.222(12) 1 d D U P C 2
H30D H 0.2523 0.8842 0.4856 0.118 Uiso 0.222(12) 1 calc R U P C 2
H30E H 0.2435 0.9513 0.4563 0.118 Uiso 0.222(12) 1 calc R U P C 2
H30F H 0.3459 0.9113 0.4657 0.118 Uiso 0.222(12) 1 calc R U P C 2
C31B C 0.279(2) 0.9013(15) 0.3681(9) 0.063(5) Uani 0.222(12) 1 d D U P C 2
H31D H 0.2743 0.9483 0.3694 0.095 Uiso 0.222(12) 1 calc R U P C 2
H31E H 0.2404 0.8859 0.3356 0.095 Uiso 0.222(12) 1 calc R U P C 2
H31F H 0.3488 0.8884 0.3725 0.095 Uiso 0.222(12) 1 calc R U P C 2
C32B C 0.1205(9) 0.8790(14) 0.3930(13) 0.072(5) Uani 0.222(12) 1 d D U P C 2
H32D H 0.0896 0.8582 0.4180 0.108 Uiso 0.222(12) 1 calc R U P C 2
H32E H 0.0968 0.8582 0.3605 0.108 Uiso 0.222(12) 1 calc R U P C 2
H32F H 0.1021 0.9246 0.3905 0.108 Uiso 0.222(12) 1 calc R U P C 2
C33 C 0.1623(3) 0.6524(2) 0.46963(17) 0.0356(11) Uani 1 1 d . . . . .
C34 C 0.0554(3) 0.6631(3) 0.4374(2) 0.0485(14) Uani 1 1 d . . . . .
H34A H 0.0549 0.6535 0.4023 0.073 Uiso 1 1 calc R U . . .
H34B H 0.0355 0.7079 0.4404 0.073 Uiso 1 1 calc R U . . .
H34C H 0.0084 0.6345 0.4490 0.073 Uiso 1 1 calc R U . . .
C35 C 0.1617(4) 0.6704(3) 0.52347(18) 0.0453(13) Uani 1 1 d . . . . .
H35A H 0.1132 0.6434 0.5355 0.068 Uiso 1 1 calc R U . . .
H35B H 0.1430 0.7158 0.5249 0.068 Uiso 1 1 calc R U . . .
H35C H 0.2286 0.6636 0.5446 0.068 Uiso 1 1 calc R U . . .
C36 C 0.1818(3) 0.5805(2) 0.46588(19) 0.0394(11) Uani 1 1 d . . . . .
H36A H 0.2449 0.5692 0.4890 0.059 Uiso 1 1 calc R U . . .
H36B H 0.1863 0.5699 0.4316 0.059 Uiso 1 1 calc R U . . .
H36C H 0.1268 0.5562 0.4747 0.059 Uiso 1 1 calc R U . . .
Al1 Al 0.16520(12) 0.53979(9) 0.77026(6) 0.0494(4) Uani 1 1 d . U . . .
O1A O 0.2523(5) 0.4897(5) 0.7549(5) 0.0560(14) Uani 0.730(10) 1 d D U P D 1
C37A C 0.3479(6) 0.4737(4) 0.7793(4) 0.0602(11) Uani 0.730(10) 1 d D U P D 1
H37A H 0.3532 0.4798 0.8160 0.072 Uiso 0.730(10) 1 calc R U P D 1
C38A C 0.4233(7) 0.5152(4) 0.7641(5) 0.0715(19) Uani 0.730(10) 1 d D U P D 1
F1A F 0.4121(6) 0.5758(3) 0.7744(3) 0.095(2) Uani 0.730(10) 1 d D U P D 1
F2A F 0.4174(6) 0.5126(3) 0.7142(3) 0.096(2) Uani 0.730(10) 1 d D U P D 1
F3A F 0.5174(4) 0.5004(3) 0.7843(4) 0.103(2) Uani 0.730(10) 1 d D U P D 1
C39A C 0.3631(7) 0.4023(4) 0.7701(4) 0.0701(17) Uani 0.730(10) 1 d D U P D 1
F4A F 0.4518(5) 0.3812(4) 0.7940(4) 0.104(3) Uani 0.730(10) 1 d D U P D 1
F5A F 0.3560(7) 0.3891(4) 0.7230(3) 0.091(2) Uani 0.730(10) 1 d D U P D 1
F6A F 0.2945(6) 0.3665(4) 0.7857(3) 0.090(2) Uani 0.730(10) 1 d D U P D 1
O1B O 0.2647(13) 0.4961(12) 0.7519(14) 0.0560(14) Uani 0.270(10) 1 d D U P D 2
C37B C 0.3450(11) 0.4728(8) 0.7860(8) 0.0602(11) Uani 0.270(10) 1 d D U P D 2
H37B H 0.3267 0.4730 0.8193 0.072 Uiso 0.270(10) 1 calc R U P D 2
C38B C 0.4351(12) 0.5133(8) 0.7903(8) 0.075(3) Uani 0.270(10) 1 d D U P D 2
F1B F 0.4192(16) 0.5727(7) 0.8011(9) 0.096(5) Uani 0.270(10) 1 d D U P D 2
F2B F 0.4653(17) 0.5124(10) 0.7464(9) 0.100(4) Uani 0.270(10) 1 d D U P D 2
F3B F 0.5155(11) 0.4937(8) 0.8229(9) 0.097(4) Uani 0.270(10) 1 d D U P D 2
C39B C 0.3652(12) 0.4032(8) 0.7739(7) 0.070(2) Uani 0.270(10) 1 d D U P D 2
F4B F 0.4307(15) 0.3766(11) 0.8112(7) 0.088(4) Uani 0.270(10) 1 d D U P D 2
F5B F 0.4046(15) 0.3965(10) 0.7351(7) 0.085(4) Uani 0.270(10) 1 d D U P D 2
F6B F 0.2818(13) 0.3680(10) 0.7651(9) 0.087(4) Uani 0.270(10) 1 d D U P D 2
O2A O 0.0538(11) 0.5095(8) 0.7361(15) 0.0619(12) Uani 0.506(11) 1 d D U P D 1
C40A C -0.0262(10) 0.4752(6) 0.7436(5) 0.0677(12) Uani 0.506(11) 1 d D U P D 1
H40A H -0.0353 0.4843 0.7781 0.081 Uiso 0.506(11) 1 calc R U P D 1
C41A C -0.0087(9) 0.4037(6) 0.7391(5) 0.081(2) Uani 0.506(11) 1 d D U P D 1
F7A F 0.0661(8) 0.3845(6) 0.7761(5) 0.099(3) Uani 0.506(11) 1 d D U P D 1
F8A F 0.0192(10) 0.3890(6) 0.6971(5) 0.103(3) Uani 0.506(11) 1 d D U P D 1
F9A F -0.0904(11) 0.3689(9) 0.7399(7) 0.104(4) Uani 0.506(11) 1 d D U P D 1
C42A C -0.1194(10) 0.4986(7) 0.7061(6) 0.087(2) Uani 0.506(11) 1 d D U P D 1
F10A F -0.1139(10) 0.4824(8) 0.6601(4) 0.127(3) Uani 0.506(11) 1 d D U P D 1
F11A F -0.2029(11) 0.4725(8) 0.7136(6) 0.114(4) Uani 0.506(11) 1 d D U P D 1
F12A F -0.1292(8) 0.5613(5) 0.7088(6) 0.108(3) Uani 0.506(11) 1 d D U P D 1
O2B O 0.0496(11) 0.5161(8) 0.7361(15) 0.0619(12) Uani 0.494(11) 1 d D U P D 2
C40B C -0.0245(11) 0.4797(6) 0.7473(5) 0.0677(12) Uani 0.494(11) 1 d D U P D 2
H40B H -0.0157 0.4803 0.7845 0.081 Uiso 0.494(11) 1 calc R U P D 2
C41B C -0.0181(10) 0.4105(6) 0.7319(5) 0.083(2) Uani 0.494(11) 1 d D U P D 2
F7B F 0.0741(8) 0.3873(7) 0.7496(6) 0.107(3) Uani 0.494(11) 1 d D U P D 2
F8B F -0.0346(11) 0.4047(7) 0.6827(4) 0.115(3) Uani 0.494(11) 1 d D U P D 2
F9B F -0.0807(11) 0.3722(9) 0.7497(7) 0.102(4) Uani 0.494(11) 1 d D U P D 2
C42B C -0.1252(9) 0.5113(6) 0.7250(6) 0.082(2) Uani 0.494(11) 1 d D U P D 2
F10B F -0.1377(8) 0.5202(8) 0.6763(5) 0.109(3) Uani 0.494(11) 1 d D U P D 2
F11B F -0.2008(10) 0.4770(7) 0.7340(6) 0.100(4) Uani 0.494(11) 1 d D U P D 2
F12B F -0.1316(8) 0.5665(5) 0.7471(6) 0.110(3) Uani 0.494(11) 1 d D U P D 2
O3A O 0.1723(17) 0.6186(11) 0.7535(8) 0.0517(13) Uani 0.56(4) 1 d D U P D 1
C43A C 0.1179(12) 0.6496(7) 0.7119(6) 0.0488(10) Uani 0.56(4) 1 d D U P D 1
H43A H 0.0686 0.6182 0.6927 0.059 Uiso 0.56(4) 1 calc R U P D 1
C44A C 0.1853(10) 0.6714(7) 0.6789(4) 0.0553(18) Uani 0.56(4) 1 d D U P D 1
F13A F 0.2420(11) 0.6218(7) 0.6694(7) 0.068(3) Uani 0.56(4) 1 d D U P D 1
F14A F 0.1355(12) 0.6939(10) 0.6345(4) 0.065(3) Uani 0.56(4) 1 d D U P D 1
F15A F 0.2488(14) 0.7181(9) 0.6995(7) 0.067(3) Uani 0.56(4) 1 d D U P D 1
C45A C 0.0595(9) 0.7047(7) 0.7286(5) 0.0589(19) Uani 0.56(4) 1 d D U P D 1
F16A F 0.0119(14) 0.7408(8) 0.6906(5) 0.072(3) Uani 0.56(4) 1 d D U P D 1
F17A F 0.1182(13) 0.7431(9) 0.7614(7) 0.066(3) Uani 0.56(4) 1 d D U P D 1
F18A F -0.0098(12) 0.6812(9) 0.7512(7) 0.072(3) Uani 0.56(4) 1 d D U P D 1
O3B O 0.181(2) 0.6179(15) 0.7495(10) 0.0517(13) Uani 0.44(4) 1 d D U P D 2
C43B C 0.1202(15) 0.6495(9) 0.7102(7) 0.0488(10) Uani 0.44(4) 1 d D U P D 2
H43B H 0.0736 0.6173 0.6903 0.059 Uiso 0.44(4) 1 calc R U P D 2
C44B C 0.1822(12) 0.6781(9) 0.6769(5) 0.056(2) Uani 0.44(4) 1 d D U P D 2
F13B F 0.2216(16) 0.6310(10) 0.6533(8) 0.069(3) Uani 0.44(4) 1 d D U P D 2
F14B F 0.1295(15) 0.7163(11) 0.6412(7) 0.067(3) Uani 0.44(4) 1 d D U P D 2
F15B F 0.2598(18) 0.7128(12) 0.7020(9) 0.065(4) Uani 0.44(4) 1 d D U P D 2
C45B C 0.0579(11) 0.6993(9) 0.7305(6) 0.058(2) Uani 0.44(4) 1 d D U P D 2
F16B F -0.0139(15) 0.7255(11) 0.6953(7) 0.072(4) Uani 0.44(4) 1 d D U P D 2
F17B F 0.1138(17) 0.7475(12) 0.7536(10) 0.070(4) Uani 0.44(4) 1 d D U P D 2
F18B F 0.0140(16) 0.6720(11) 0.7642(8) 0.068(3) Uani 0.44(4) 1 d D U P D 2
O4A O 0.1769(16) 0.5385(17) 0.8321(8) 0.0775(14) Uani 0.455(16) 1 d D U P D 1
C46A C 0.1801(10) 0.5822(10) 0.8699(5) 0.0931(14) Uani 0.455(16) 1 d D U P D 1
H46A H 0.1936 0.6254 0.8567 0.112 Uiso 0.455(16) 1 calc R U P D 1
C47A C 0.2665(13) 0.5668(10) 0.9126(6) 0.113(3) Uani 0.455(16) 1 d D U P D 1
F19A F 0.3538(10) 0.5651(10) 0.8973(7) 0.128(4) Uani 0.455(16) 1 d D U P D 1
F20A F 0.2798(16) 0.6095(10) 0.9500(6) 0.141(4) Uani 0.455(16) 1 d D U P D 1
F21A F 0.2549(15) 0.5088(9) 0.9331(6) 0.141(4) Uani 0.455(16) 1 d D U P D 1
C48A C 0.0831(13) 0.5865(10) 0.8849(8) 0.109(2) Uani 0.455(16) 1 d D U P D 1
F22A F 0.0713(16) 0.6363(8) 0.9123(6) 0.134(4) Uani 0.455(16) 1 d D U P D 1
F23A F 0.0018(17) 0.5749(10) 0.8556(8) 0.122(4) Uani 0.455(16) 1 d D U P D 1
F24A F 0.0946(15) 0.5270(11) 0.9185(7) 0.135(4) Uani 0.455(16) 1 d D U P D 1
O4B O 0.1814(14) 0.5346(14) 0.8351(7) 0.0775(14) Uani 0.545(16) 1 d D U P D 2
C46B C 0.1756(9) 0.5834(9) 0.8681(5) 0.0931(14) Uani 0.545(16) 1 d D U P D 2
H46B H 0.1656 0.6244 0.8485 0.112 Uiso 0.545(16) 1 calc R U P D 2
C47B C 0.2729(12) 0.5894(9) 0.9060(6) 0.115(3) Uani 0.545(16) 1 d D U P D 2
F19B F 0.3520(9) 0.5960(8) 0.8845(6) 0.129(4) Uani 0.545(16) 1 d D U P D 2
F20B F 0.2755(14) 0.6381(8) 0.9382(5) 0.151(4) Uani 0.545(16) 1 d D U P D 2
F21B F 0.2916(13) 0.5356(8) 0.9341(5) 0.143(4) Uani 0.545(16) 1 d D U P D 2
C48B C 0.0880(12) 0.5754(9) 0.8910(8) 0.110(2) Uani 0.545(16) 1 d D U P D 2
F22B F 0.0844(14) 0.6166(8) 0.9269(5) 0.144(4) Uani 0.545(16) 1 d D U P D 2
F23B F 0.0545(12) 0.5222(9) 0.9009(6) 0.130(3) Uani 0.545(16) 1 d D U P D 2
F24B F 0.0083(13) 0.5972(8) 0.8457(6) 0.114(4) Uani 0.545(16) 1 d D U P D 2
C49A C 0.1729(13) 0.4561(10) 0.6320(5) 0.086(3) Uani 0.59(2) 1 d D U P E 1
H49A H 0.1325 0.4226 0.6441 0.103 Uiso 0.59(2) 1 calc R U P E 1
H49B H 0.2010 0.4848 0.6605 0.103 Uiso 0.59(2) 1 calc R U P E 1
Cl3A Cl 0.0966(5) 0.5003(5) 0.5852(4) 0.0917(19) Uani 0.59(2) 1 d D U P E 1
Cl4A Cl 0.2723(8) 0.4189(3) 0.6106(3) 0.0806(19) Uani 0.59(2) 1 d D U P E 1
C49B C 0.169(2) 0.4748(16) 0.6367(6) 0.086(4) Uani 0.37(2) 1 d D U P F 3
H49C H 0.1448 0.4505 0.6628 0.104 Uiso 0.37(2) 1 calc R U P F 3
H49D H 0.2203 0.5058 0.6535 0.104 Uiso 0.37(2) 1 calc R U P F 3
Cl3B Cl 0.0703(12) 0.5156(6) 0.5994(5) 0.089(3) Uani 0.37(2) 1 d D U P F 3
Cl4B Cl 0.2223(15) 0.4211(6) 0.5998(5) 0.100(3) Uani 0.37(2) 1 d D U P F 3
C49C C 0.159(4) 0.492(3) 0.617(9) 0.091(4) Uani 0.0437(15) 1 d D U P A 2
H49E H 0.1135 0.4973 0.5839 0.110 Uiso 0.0437(15) 1 calc R U P A 2
H49F H 0.1217 0.5028 0.6430 0.110 Uiso 0.0437(15) 1 calc R U P A 2
Cl3C Cl 0.260(4) 0.543(2) 0.622(2) 0.115(10) Uani 0.0437(15) 1 d D U P A 2
Cl4C Cl 0.199(4) 0.411(2) 0.6246(19) 0.087(5) Uani 0.0437(15) 1 d D U P A 2
C50A C 0.3673(9) 0.7344(13) 0.8113(4) 0.104(3) Uani 0.72(2) 1 d D U P G 1
H50A H 0.3385 0.6909 0.8032 0.124 Uiso 0.72(2) 1 calc R U P G 1
H50B H 0.3441 0.7616 0.7814 0.124 Uiso 0.72(2) 1 calc R U P G 1
Cl5A Cl 0.4939(6) 0.7283(4) 0.8218(3) 0.0928(16) Uani 0.72(2) 1 d D U P G 1
Cl6A Cl 0.3191(4) 0.7655(6) 0.8593(4) 0.120(3) Uani 0.72(2) 1 d D U P G 1
C50B C 0.3447(16) 0.741(4) 0.8153(7) 0.104(4) Uani 0.28(2) 1 d D U P G 2
H50C H 0.3073 0.7054 0.7952 0.125 Uiso 0.28(2) 1 calc R U P G 2
H50D H 0.3129 0.7817 0.8017 0.125 Uiso 0.28(2) 1 calc R U P G 2
Cl5B Cl 0.4638(16) 0.7400(12) 0.8070(8) 0.111(4) Uani 0.28(2) 1 d D U P G 2
Cl6B Cl 0.3315(15) 0.7329(12) 0.8759(6) 0.109(4) Uani 0.28(2) 1 d D U P G 2
C51A C 0.2238(13) 0.3524(12) 0.8863(7) 0.167(4) Uani 0.5982(19) 1 d D U P H 1
H51A H 0.2009 0.3963 0.8755 0.201 Uiso 0.5982(19) 1 calc R U P H 1
H51B H 0.2204 0.3265 0.8557 0.201 Uiso 0.5982(19) 1 calc R U P H 1
Cl7A Cl 0.1414(13) 0.3212(7) 0.9168(7) 0.173(4) Uani 0.5982(19) 1 d D U P H 1
Cl8A Cl 0.3451(5) 0.3574(3) 0.9161(2) 0.1622(19) Uani 0.5982(19) 1 d D U P H 1
C51B C 0.173(3) 0.3350(9) 0.8721(10) 0.174(4) Uani 0.4018(19) 1 d D U P I 2
H51C H 0.1163 0.3249 0.8440 0.208 Uiso 0.4018(19) 1 calc R U P I 2
H51D H 0.2351 0.3174 0.8642 0.208 Uiso 0.4018(19) 1 calc R U P I 2
Cl7B Cl 0.1543(19) 0.3017(9) 0.9251(10) 0.155(4) Uani 0.4018(19) 1 d D U P I 2
Cl8B Cl 0.1839(10) 0.4152(5) 0.8799(4) 0.214(4) Uani 0.4018(19) 1 d D U P I 2
C51C C 0.471(4) 0.4149(11) 0.9754(16) 0.152(5) Uani 0.263(3) 1 d D U P J 3
H51E H 0.4992 0.4333 1.0089 0.182 Uiso 0.263(3) 1 calc R U P J 3
H51F H 0.3977 0.4197 0.9690 0.182 Uiso 0.263(3) 1 calc R U P J 3
Cl7C Cl 0.4978(12) 0.3353(6) 0.9779(6) 0.156(5) Uani 0.263(3) 1 d D U P J 3
Cl8C Cl 0.5131(10) 0.4598(5) 0.9328(5) 0.156(4) Uani 0.263(3) 1 d D U P J 3
C51D C 0.442(5) 0.4178(14) 0.937(2) 0.154(5) Uani 0.139(3) 1 d D U P K 4
H51G H 0.4535 0.4279 0.9030 0.185 Uiso 0.139(3) 1 calc R U P K 4
H51H H 0.3704 0.4272 0.9357 0.185 Uiso 0.139(3) 1 calc R U P K 4
Cl7D Cl 0.461(3) 0.3366(10) 0.9470(11) 0.141(5) Uani 0.139(3) 1 d D U P K 4
Cl8D Cl 0.514(2) 0.4687(10) 0.9791(11) 0.165(5) Uani 0.139(3) 1 d D U P K 4
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'
O O 0.0106 0.0060 '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'
Al Al 0.0645 0.0514 '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'
Cl Cl 0.1484 0.1585 '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_1
_geom_angle_site_symmetry_3
C1 P1A P2A 100.67(15) . .
C1 P1A P4A 111.02(15) . .
P2A P1A P4A 84.39(6) . .
C1 P1A Ag1 132.07(15) . .
P2A P1A Ag1 109.95(7) . .
P4A P1A Ag1 107.96(7) . .
Cl1A P2A P3A 99.47(8) . .
Cl1A P2A P1A 99.39(8) . .
P3A P2A P1A 83.17(6) . .
C19 P3A P2A 103.86(16) . .
C19 P3A P4A 109.62(16) . .
P2A P3A P4A 84.23(6) . .
C19 P3A Ag1 127.40(15) . 3_666
P2A P3A Ag1 111.58(7) . 3_666
P4A P3A Ag1 111.43(8) . 3_666
Cl2A P4A P1A 99.83(7) . .
Cl2A P4A P3A 101.00(8) . .
P1A P4A P3A 82.56(6) . .
C1 P1B P2B 101.1(11) . .
C1 P1B P4B 116.4(18) . .
P2B P1B P4B 84.5(6) . .
C1 P1B Ag1 125.0(10) . .
P2B P1B Ag1 109.6(14) . .
P4B P1B Ag1 111.1(11) . .
Cl1B P2B P3B 99.1(9) . .
Cl1B P2B P1B 99.0(9) . .
P3B P2B P1B 82.9(7) . .
C19 P3B P2B 98.4(12) . .
C19 P3B P4B 111(2) . .
P2B P3B P4B 84.3(6) . .
C19 P3B Ag1 131.4(11) . 3_666
P2B P3B Ag1 112.5(17) . 3_666
P4B P3B Ag1 108.5(11) . 3_666
Cl2B P4B P1B 99.8(9) . .
Cl2B P4B P3B 100.9(9) . .
P1B P4B P3B 82.2(7) . .
P3A Ag1 P1A 177.52(5) 3_666 .
P3B Ag1 P1B 175.7(8) 3_666 .
P3A Ag1 Ag1 87.24(4) 3_666 3_666
P3B Ag1 Ag1 89.9(7) 3_666 3_666
P1A Ag1 Ag1 90.68(4) . 3_666
P1B Ag1 Ag1 87.8(6) . 3_666
C6 C1 C2 119.5(4) . .
C6 C1 P1A 118.7(3) . .
C2 C1 P1A 119.1(3) . .
C6 C1 P1B 106.9(9) . .
C2 C1 P1B 129.5(9) . .
C3 C2 C1 117.1(4) . .
C3 C2 C7 117.5(4) . .
C1 C2 C7 124.9(4) . .
C2 C3 C4 123.2(4) . .
C2 C3 H3 118.4 . .
C4 C3 H3 118.4 . .
C5 C4 C3 116.4(5) . .
C5 C4 C11 122.1(5) . .
C3 C4 C11 121.5(4) . .
C4 C5 C6 123.5(4) . .
C4 C5 H5 118.2 . .
C6 C5 H5 118.2 . .
C5 C6 C1 116.7(4) . .
C5 C6 C15 116.3(4) . .
C1 C6 C15 126.6(4) . .
C9 C7 C8 111.2(4) . .
C9 C7 C10 105.1(4) . .
C8 C7 C10 107.7(4) . .
C9 C7 C2 112.5(4) . .
C8 C7 C2 112.8(4) . .
C10 C7 C2 107.0(4) . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C7 C10 H10A 109.5 . .
C7 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C7 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C12B C11 C13B 112.0(10) . .
C12B C11 C4 107.7(9) . .
C12A C11 C4 110.4(6) . .
C13B C11 C4 105.4(8) . .
C12A C11 C13A 107.8(7) . .
C4 C11 C13A 109.4(6) . .
C12B C11 C14B 113.0(10) . .
C13B C11 C14B 107.8(9) . .
C4 C11 C14B 110.8(8) . .
C12A C11 C14A 111.5(7) . .
C4 C11 C14A 113.0(6) . .
C13A C11 C14A 104.4(6) . .
C11 C12A H12A 109.5 . .
C11 C12A H12B 109.5 . .
H12A C12A H12B 109.5 . .
C11 C12A H12C 109.5 . .
H12A C12A H12C 109.5 . .
H12B C12A H12C 109.5 . .
C11 C13A H13A 109.5 . .
C11 C13A H13B 109.5 . .
H13A C13A H13B 109.5 . .
C11 C13A H13C 109.5 . .
H13A C13A H13C 109.5 . .
H13B C13A H13C 109.5 . .
C11 C14A H14A 109.5 . .
C11 C14A H14B 109.5 . .
H14A C14A H14B 109.5 . .
C11 C14A H14C 109.5 . .
H14A C14A H14C 109.5 . .
H14B C14A H14C 109.5 . .
C11 C12B H12D 109.5 . .
C11 C12B H12E 109.5 . .
H12D C12B H12E 109.5 . .
C11 C12B H12F 109.5 . .
H12D C12B H12F 109.5 . .
H12E C12B H12F 109.5 . .
C11 C13B H13D 109.5 . .
C11 C13B H13E 109.5 . .
H13D C13B H13E 109.5 . .
C11 C13B H13F 109.5 . .
H13D C13B H13F 109.5 . .
H13E C13B H13F 109.5 . .
C11 C14B H14D 109.5 . .
C11 C14B H14E 109.5 . .
H14D C14B H14E 109.5 . .
C11 C14B H14F 109.5 . .
H14D C14B H14F 109.5 . .
H14E C14B H14F 109.5 . .
C18 C15 C17 109.4(4) . .
C18 C15 C16 105.3(4) . .
C17 C15 C16 108.9(4) . .
C18 C15 C6 115.8(4) . .
C17 C15 C6 111.8(4) . .
C16 C15 C6 105.1(4) . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C15 C17 H17A 109.5 . .
C15 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C15 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C15 C18 H18A 109.5 . .
C15 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C15 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C24 C19 C20 119.3(4) . .
C24 C19 P3B 127.5(11) . .
C20 C19 P3B 111.0(11) . .
C24 C19 P3A 118.7(3) . .
C20 C19 P3A 119.1(3) . .
C21 C20 C19 116.9(4) . .
C21 C20 C25 116.9(4) . .
C19 C20 C25 125.8(4) . .
C20 C21 C22 123.3(5) . .
C20 C21 H21 118.3 . .
C22 C21 H21 118.3 . .
C23 C22 C21 116.7(5) . .
C23 C22 C29 122.0(5) . .
C21 C22 C29 121.3(5) . .
C22 C23 C24 123.1(5) . .
C22 C23 H23 118.4 . .
C24 C23 H23 118.4 . .
C23 C24 C19 117.4(4) . .
C23 C24 C33 116.9(4) . .
C19 C24 C33 125.4(4) . .
C26 C25 C28 106.1(5) . .
C26 C25 C27 109.8(4) . .
C28 C25 C27 107.9(4) . .
C26 C25 C20 115.0(4) . .
C28 C25 C20 105.2(4) . .
C27 C25 C20 112.2(4) . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C25 C27 H27A 109.5 . .
C25 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C25 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C25 C28 H28A 109.5 . .
C25 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C25 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C31B C29 C30B 111.5(13) . .
C31A C29 C22 112.4(6) . .
C31B C29 C22 109.2(13) . .
C30B C29 C22 115.2(13) . .
C31A C29 C32A 110.2(6) . .
C22 C29 C32A 112.0(5) . .
C31B C29 C32B 107.1(12) . .
C30B C29 C32B 109.1(13) . .
C22 C29 C32B 104.1(12) . .
C31A C29 C30A 109.4(7) . .
C22 C29 C30A 106.1(5) . .
C32A C29 C30A 106.5(7) . .
C29 C30A H30A 109.5 . .
C29 C30A H30B 109.5 . .
H30A C30A H30B 109.5 . .
C29 C30A H30C 109.5 . .
H30A C30A H30C 109.5 . .
H30B C30A H30C 109.5 . .
C29 C31A H31A 109.5 . .
C29 C31A H31B 109.5 . .
H31A C31A H31B 109.5 . .
C29 C31A H31C 109.5 . .
H31A C31A H31C 109.5 . .
H31B C31A H31C 109.5 . .
C29 C32A H32A 109.5 . .
C29 C32A H32B 109.5 . .
H32A C32A H32B 109.5 . .
C29 C32A H32C 109.5 . .
H32A C32A H32C 109.5 . .
H32B C32A H32C 109.5 . .
C29 C30B H30D 109.5 . .
C29 C30B H30E 109.5 . .
H30D C30B H30E 109.5 . .
C29 C30B H30F 109.5 . .
H30D C30B H30F 109.5 . .
H30E C30B H30F 109.5 . .
C29 C31B H31D 109.5 . .
C29 C31B H31E 109.5 . .
H31D C31B H31E 109.5 . .
C29 C31B H31F 109.5 . .
H31D C31B H31F 109.5 . .
H31E C31B H31F 109.5 . .
C29 C32B H32D 109.5 . .
C29 C32B H32E 109.5 . .
H32D C32B H32E 109.5 . .
C29 C32B H32F 109.5 . .
H32D C32B H32F 109.5 . .
H32E C32B H32F 109.5 . .
C35 C33 C36 110.1(4) . .
C35 C33 C24 112.7(4) . .
C36 C33 C24 113.3(4) . .
C35 C33 C34 108.2(4) . .
C36 C33 C34 105.0(4) . .
C24 C33 C34 107.1(4) . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C33 C35 H35A 109.5 . .
C33 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C33 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C33 C36 H36A 109.5 . .
C33 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C33 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
O4A Al1 O1A 109.0(10) . .
O4A Al1 O3A 106.9(14) . .
O1A Al1 O3A 115.8(7) . .
O4A Al1 O2A 115.0(16) . .
O1A Al1 O2A 103.1(9) . .
O3A Al1 O2A 107.4(11) . .
O2B Al1 O4B 115.6(15) . .
O2B Al1 O3B 104.7(13) . .
O4B Al1 O3B 113.0(14) . .
O2B Al1 O1B 111.4(13) . .
O4B Al1 O1B 108.7(12) . .
O3B Al1 O1B 102.8(12) . .
C37A O1A Al1 132.2(9) . .
O1A C37A C38A 111.8(7) . .
O1A C37A C39A 107.8(6) . .
C38A C37A C39A 113.2(7) . .
O1A C37A H37A 108.0 . .
C38A C37A H37A 108.0 . .
C39A C37A H37A 108.0 . .
F1A C38A F3A 106.6(8) . .
F1A C38A F2A 105.9(9) . .
F3A C38A F2A 104.4(8) . .
F1A C38A C37A 112.4(8) . .
F3A C38A C37A 115.0(9) . .
F2A C38A C37A 111.8(8) . .
F5A C39A F4A 106.3(7) . .
F5A C39A F6A 107.0(7) . .
F4A C39A F6A 106.8(7) . .
F5A C39A C37A 112.7(7) . .
F4A C39A C37A 112.6(7) . .
F6A C39A C37A 111.0(7) . .
C37B O1B Al1 122(2) . .
O1B C37B C38B 112.7(13) . .
O1B C37B C39B 110.2(13) . .
C38B C37B C39B 111.8(10) . .
O1B C37B H37B 107.3 . .
C38B C37B H37B 107.3 . .
C39B C37B H37B 107.3 . .
F1B C38B F3B 107.2(13) . .
F1B C38B F2B 108.3(15) . .
F3B C38B F2B 103.0(13) . .
F1B C38B C37B 112.5(13) . .
F3B C38B C37B 115.9(13) . .
F2B C38B C37B 109.4(13) . .
F5B C39B F4B 104.8(12) . .
F5B C39B F6B 106.7(13) . .
F4B C39B F6B 108.5(13) . .
F5B C39B C37B 114.0(12) . .
F4B C39B C37B 110.7(12) . .
F6B C39B C37B 111.8(11) . .
C40A O2A Al1 139(3) . .
O2A C40A C41A 110.8(9) . .
O2A C40A C42A 108.2(10) . .
C41A C40A C42A 112.3(9) . .
O2A C40A H40A 108.5 . .
C41A C40A H40A 108.5 . .
C42A C40A H40A 108.5 . .
F8A C41A F7A 105.7(10) . .
F8A C41A F9A 106.9(10) . .
F7A C41A F9A 109.2(11) . .
F8A C41A C40A 112.2(10) . .
F7A C41A C40A 109.9(9) . .
F9A C41A C40A 112.5(10) . .
F12A C42A F11A 107.2(12) . .
F12A C42A F10A 109.5(12) . .
F11A C42A F10A 106.1(12) . .
F12A C42A C40A 110.9(11) . .
F11A C42A C40A 112.8(11) . .
F10A C42A C40A 110.2(11) . .
C40B O2B Al1 133(2) . .
O2B C40B C41B 112.1(10) . .
O2B C40B C42B 108.9(9) . .
C41B C40B C42B 113.6(9) . .
O2B C40B H40B 107.3 . .
C41B C40B H40B 107.3 . .
C42B C40B H40B 107.3 . .
F8B C41B F7B 105.9(10) . .
F8B C41B F9B 109.9(11) . .
F7B C41B F9B 106.3(11) . .
F8B C41B C40B 111.5(10) . .
F7B C41B C40B 110.4(9) . .
F9B C41B C40B 112.5(10) . .
F12B C42B F10B 109.8(12) . .
F12B C42B F11B 104.5(12) . .
F10B C42B F11B 109.3(12) . .
F12B C42B C40B 109.8(10) . .
F10B C42B C40B 111.7(12) . .
F11B C42B C40B 111.6(10) . .
C43A O3A Al1 128.2(18) . .
O3A C43A C44A 110.4(8) . .
O3A C43A C45A 109.1(8) . .
C44A C43A C45A 112.8(8) . .
O3A C43A H43A 108.2 . .
C44A C43A H43A 108.2 . .
C45A C43A H43A 108.2 . .
F14A C44A F15A 106.3(8) . .
F14A C44A F13A 106.8(8) . .
F15A C44A F13A 106.7(8) . .
F14A C44A C43A 113.4(8) . .
F15A C44A C43A 113.1(8) . .
F13A C44A C43A 110.1(8) . .
F17A C45A F16A 108.0(9) . .
F17A C45A F18A 107.0(8) . .
F16A C45A F18A 107.1(8) . .
F17A C45A C43A 112.0(8) . .
F16A C45A C43A 112.8(8) . .
F18A C45A C43A 109.6(8) . .
C43B O3B Al1 127(2) . .
O3B C43B C44B 109.9(10) . .
O3B C43B C45B 109.3(10) . .
C44B C43B C45B 113.0(9) . .
O3B C43B H43B 108.2 . .
C44B C43B H43B 108.2 . .
C45B C43B H43B 108.2 . .
F14B C44B F15B 107.1(10) . .
F14B C44B F13B 106.7(9) . .
F15B C44B F13B 106.2(10) . .
F14B C44B C43B 113.2(9) . .
F15B C44B C43B 113.1(10) . .
F13B C44B C43B 110.1(9) . .
F17B C45B F16B 107.0(10) . .
F17B C45B F18B 106.8(10) . .
F16B C45B F18B 107.6(10) . .
F17B C45B C43B 112.1(10) . .
F16B C45B C43B 113.3(9) . .
F18B C45B C43B 109.8(9) . .
C46A O4A Al1 138(2) . .
O4A C46A C48A 111.6(12) . .
O4A C46A C47A 109.6(11) . .
C48A C46A C47A 113.5(11) . .
O4A C46A H46A 107.3 . .
C48A C46A H46A 107.3 . .
C47A C46A H46A 107.3 . .
F20A C47A F19A 106.0(14) . .
F20A C47A F21A 106.2(12) . .
F19A C47A F21A 107.3(13) . .
F20A C47A C46A 113.9(13) . .
F19A C47A C46A 111.3(12) . .
F21A C47A C46A 111.6(13) . .
F23A C48A F22A 108.5(16) . .
F23A C48A C46A 122.8(15) . .
F22A C48A C46A 116.0(13) . .
F23A C48A F24A 101.0(14) . .
F22A C48A F24A 107.6(15) . .
C46A C48A F24A 98.0(13) . .
C46B O4B Al1 128(2) . .
O4B C46B C48B 111.4(11) . .
O4B C46B C47B 110.3(10) . .
C48B C46B C47B 113.1(10) . .
O4B C46B H46B 107.3 . .
C48B C46B H46B 107.3 . .
C47B C46B H46B 107.3 . .
F20B C47B F19B 107.7(13) . .
F20B C47B F21B 106.0(11) . .
F19B C47B F21B 105.3(12) . .
F20B C47B C46B 114.2(12) . .
F19B C47B C46B 112.4(11) . .
F21B C47B C46B 110.7(13) . .
F23B C48B F22B 109.8(15) . .
F23B C48B C46B 124.2(14) . .
F22B C48B C46B 114.3(12) . .
F23B C48B F24B 102.0(13) . .
F22B C48B F24B 106.1(14) . .
C46B C48B F24B 97.0(13) . .
Cl3A C49A Cl4A 111.6(7) . .
Cl3A C49A H49A 109.3 . .
Cl4A C49A H49A 109.3 . .
Cl3A C49A H49B 109.3 . .
Cl4A C49A H49B 109.3 . .
H49A C49A H49B 108.0 . .
Cl3B C49B Cl4B 109.9(9) . .
Cl3B C49B H49C 109.7 . .
Cl4B C49B H49C 109.7 . .
Cl3B C49B H49D 109.7 . .
Cl4B C49B H49D 109.7 . .
H49C C49B H49D 108.2 . .
Cl3C C49C Cl4C 110.9(13) . .
Cl3C C49C H49E 109.5 . .
Cl4C C49C H49E 109.5 . .
Cl3C C49C H49F 109.5 . .
Cl4C C49C H49F 109.5 . .
H49E C49C H49F 108.1 . .
Cl5A C50A Cl6A 116.5(7) . .
Cl5A C50A H50A 108.2 . .
Cl6A C50A H50A 108.2 . .
Cl5A C50A H50B 108.2 . .
Cl6A C50A H50B 108.2 . .
H50A C50A H50B 107.3 . .
Cl5B C50B Cl6B 116.0(12) . .
Cl5B C50B H50C 108.3 . .
Cl6B C50B H50C 108.3 . .
Cl5B C50B H50D 108.3 . .
Cl6B C50B H50D 108.3 . .
H50C C50B H50D 107.4 . .
Cl7A C51A Cl8A 118.8(13) . .
Cl7A C51A H51A 107.6 . .
Cl8A C51A H51A 107.6 . .
Cl7A C51A H51B 107.6 . .
Cl8A C51A H51B 107.6 . .
H51A C51A H51B 107.0 . .
Cl7B C51B Cl8B 108.9(14) . .
Cl7B C51B H51C 109.9 . .
Cl8B C51B H51C 109.9 . .
Cl7B C51B H51D 109.9 . .
Cl8B C51B H51D 109.9 . .
H51C C51B H51D 108.3 . .
Cl7C C51C Cl8C 117.8(15) . .
Cl7C C51C H51E 107.9 . .
Cl8C C51C H51E 107.9 . .
Cl7C C51C H51F 107.9 . .
Cl8C C51C H51F 107.9 . .
H51E C51C H51F 107.2 . .
Cl8D C51D Cl7D 116.5(19) . .
Cl8D C51D H51G 108.2 . .
Cl7D C51D H51G 108.2 . .
Cl8D C51D H51H 108.2 . .
Cl7D C51D H51H 108.2 . .
H51G C51D H51H 107.3 . .
C51D Cl8D Cl8D 134(4) . 3_667
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1A C1 1.826(5) .
P1A P2A 2.2354(17) .
P1A P4A 2.2419(16) .
P1A Ag1 2.3943(15) .
P2A Cl1A 2.059(2) .
P2A P3A 2.2318(17) .
P3A C19 1.830(5) .
P3A P4A 2.2524(17) .
P3A Ag1 2.3905(18) 3_666
P4A Cl2A 2.0694(19) .
P1B C1 1.89(3) .
P1B P2B 2.236(10) .
P1B P4B 2.242(10) .
P1B Ag1 2.46(3) .
P2B Cl1B 2.058(10) .
P2B P3B 2.231(10) .
P3B C19 1.76(4) .
P3B P4B 2.256(10) .
P3B Ag1 2.39(4) 3_666
P4B Cl2B 2.064(10) .
Ag1 P3A 2.3905(18) 3_666
Ag1 P3B 2.39(4) 3_666
Ag1 Ag1 3.0511(7) 3_666
C1 C6 1.418(6) .
C1 C2 1.419(6) .
C2 C3 1.378(7) .
C2 C7 1.540(6) .
C3 C4 1.391(7) .
C3 H3 0.9500 .
C4 C5 1.381(7) .
C4 C11 1.525(7) .
C5 C6 1.388(7) .
C5 H5 0.9500 .
C6 C15 1.545(6) .
C7 C9 1.531(7) .
C7 C8 1.535(7) .
C7 C10 1.537(7) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 C12B 1.462(12) .
C11 C12A 1.475(11) .
C11 C13B 1.524(11) .
C11 C13A 1.544(10) .
C11 C14B 1.548(12) .
C11 C14A 1.554(10) .
C12A H12A 0.9800 .
C12A H12B 0.9800 .
C12A H12C 0.9800 .
C13A H13A 0.9800 .
C13A H13B 0.9800 .
C13A H13C 0.9800 .
C14A H14A 0.9800 .
C14A H14B 0.9800 .
C14A H14C 0.9800 .
C12B H12D 0.9800 .
C12B H12E 0.9800 .
C12B H12F 0.9800 .
C13B H13D 0.9800 .
C13B H13E 0.9800 .
C13B H13F 0.9800 .
C14B H14D 0.9800 .
C14B H14E 0.9800 .
C14B H14F 0.9800 .
C15 C18 1.527(7) .
C15 C17 1.539(7) .
C15 C16 1.542(7) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 C24 1.415(6) .
C19 C20 1.425(6) .
C20 C21 1.390(7) .
C20 C25 1.554(7) .
C21 C22 1.390(7) .
C21 H21 0.9500 .
C22 C23 1.381(7) .
C22 C29 1.535(7) .
C23 C24 1.393(7) .
C23 H23 0.9500 .
C24 C33 1.540(6) .
C25 C26 1.531(7) .
C25 C28 1.533(7) .
C25 C27 1.533(7) .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 C31A 1.489(9) .
C29 C31B 1.500(12) .
C29 C30B 1.529(13) .
C29 C32A 1.539(9) .
C29 C32B 1.548(13) .
C29 C30A 1.554(10) .
C30A H30A 0.9800 .
C30A H30B 0.9800 .
C30A H30C 0.9800 .
C31A H31A 0.9800 .
C31A H31B 0.9800 .
C31A H31C 0.9800 .
C32A H32A 0.9800 .
C32A H32B 0.9800 .
C32A H32C 0.9800 .
C30B H30D 0.9800 .
C30B H30E 0.9800 .
C30B H30F 0.9800 .
C31B H31D 0.9800 .
C31B H31E 0.9800 .
C31B H31F 0.9800 .
C32B H32D 0.9800 .
C32B H32E 0.9800 .
C32B H32F 0.9800 .
C33 C35 1.524(7) .
C33 C36 1.526(7) .
C33 C34 1.550(6) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
Al1 O4A 1.67(2) .
Al1 O1A 1.704(10) .
Al1 O3A 1.71(2) .
Al1 O2B 1.72(2) .
Al1 O2A 1.72(2) .
Al1 O4B 1.746(19) .
Al1 O3B 1.75(3) .
Al1 O1B 1.80(3) .
O1A C37A 1.372(8) .
C37A C38A 1.474(11) .
C37A C39A 1.525(9) .
C37A H37A 1.0000 .
C38A F1A 1.307(10) .
C38A F3A 1.322(11) .
C38A F2A 1.356(13) .
C39A F5A 1.303(9) .
C39A F4A 1.321(9) .
C39A F6A 1.339(8) .
O1B C37B 1.365(11) .
C37B C38B 1.476(13) .
C37B C39B 1.522(11) .
C37B H37B 1.0000 .
C38B F1B 1.299(12) .
C38B F3B 1.319(13) .
C38B F2B 1.357(16) .
C39B F5B 1.301(11) .
C39B F4B 1.324(11) .
C39B F6B 1.333(11) .
O2A C40A 1.359(9) .
C40A C41A 1.514(11) .
C40A C42A 1.530(12) .
C40A H40A 1.0000 .
C41A F8A 1.326(11) .
C41A F7A 1.334(11) .
C41A F9A 1.336(10) .
C42A F12A 1.314(14) .
C42A F11A 1.321(11) .
C42A F10A 1.322(16) .
O2B C40B 1.354(9) .
C40B C41B 1.507(12) .
C40B C42B 1.528(12) .
C40B H40B 1.0000 .
C41B F8B 1.322(11) .
C41B F7B 1.338(11) .
C41B F9B 1.339(10) .
C42B F12B 1.310(14) .
C42B F10B 1.321(15) .
C42B F11B 1.323(11) .
O3A C43A 1.375(8) .
C43A C44A 1.498(9) .
C43A C45A 1.524(9) .
C43A H43A 1.0000 .
C44A F14A 1.342(9) .
C44A F15A 1.342(8) .
C44A F13A 1.349(8) .
C45A F17A 1.331(8) .
C45A F16A 1.332(9) .
C45A F18A 1.335(9) .
O3B C43B 1.376(9) .
C43B C44B 1.499(10) .
C43B C45B 1.522(9) .
C43B H43B 1.0000 .
C44B F14B 1.341(9) .
C44B F15B 1.342(9) .
C44B F13B 1.350(9) .
C45B F17B 1.332(9) .
C45B F16B 1.333(9) .
C45B F18B 1.335(9) .
O4A C46A 1.373(10) .
C46A C48A 1.476(13) .
C46A C47A 1.503(14) .
C46A H46A 1.0000 .
C47A F20A 1.337(14) .
C47A F19A 1.350(14) .
C47A F21A 1.355(17) .
C48A F23A 1.24(2) .
C48A F22A 1.310(12) .
C48A F24A 1.53(3) .
O4B C46B 1.372(10) .
C46B C48B 1.480(13) .
C46B C47B 1.503(14) .
C46B H46B 1.0000 .
C47B F20B 1.338(13) .
C47B F19B 1.349(14) .
C47B F21B 1.352(16) .
C48B F23B 1.25(2) .
C48B F22B 1.313(12) .
C48B F24B 1.53(3) .
C49A Cl3A 1.729(11) .
C49A Cl4A 1.773(13) .
C49A H49A 0.9900 .
C49A H49B 0.9900 .
C49B Cl3B 1.726(12) .
C49B Cl4B 1.768(14) .
C49B H49C 0.9900 .
C49B H49D 0.9900 .
C49C Cl3C 1.728(14) .
C49C Cl4C 1.771(15) .
C49C H49E 0.9900 .
C49C H49F 0.9900 .
C50A Cl5A 1.698(10) .
C50A Cl6A 1.721(12) .
C50A H50A 0.9900 .
C50A H50B 0.9900 .
C50B Cl5B 1.695(12) .
C50B Cl6B 1.718(15) .
C50B H50C 0.9900 .
C50B H50D 0.9900 .
C51A Cl7A 1.675(15) .
C51A Cl8A 1.684(16) .
C51A H51A 0.9900 .
C51A H51B 0.9900 .
C51B Cl7B 1.679(18) .
C51B Cl8B 1.681(18) .
C51B H51C 0.9900 .
C51B H51D 0.9900 .
C51C Cl7C 1.690(18) .
C51C Cl8C 1.690(18) .
C51C H51E 0.9900 .
C51C H51F 0.9900 .
C51D Cl8D 1.72(2) .
C51D Cl7D 1.72(2) .
C51D H51G 0.9900 .
C51D H51H 0.9900 .
Cl8D Cl8D 1.83(5) 3_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
P2A P1A C1 C6 -40.0(4) . .
P4A P1A C1 C6 -128.0(3) . .
Ag1 P1A C1 C6 89.6(4) . .
P2A P1A C1 C2 121.4(3) . .
P4A P1A C1 C2 33.4(4) . .
Ag1 P1A C1 C2 -108.9(3) . .
P2A P1A C1 P1B -31(3) . .
P4A P1A C1 P1B -119(3) . .
Ag1 P1A C1 P1B 99(3) . .
P2B P1B C1 C6 -125.7(10) . .
P4B P1B C1 C6 -36.4(12) . .
Ag1 P1B C1 C6 110.7(14) . .
P2B P1B C1 C2 30.8(15) . .
P4B P1B C1 C2 120.1(12) . .
Ag1 P1B C1 C2 -92.8(13) . .
P2B P1B C1 P1A 63(3) . .
P4B P1B C1 P1A 152(4) . .
Ag1 P1B C1 P1A -61(3) . .
C6 C1 C2 C3 19.7(6) . .
P1A C1 C2 C3 -141.6(4) . .
P1B C1 C2 C3 -134.4(11) . .
C6 C1 C2 C7 -151.8(4) . .
P1A C1 C2 C7 46.9(6) . .
P1B C1 C2 C7 54.2(12) . .
C1 C2 C3 C4 -5.6(7) . .
C7 C2 C3 C4 166.5(5) . .
C2 C3 C4 C5 -9.3(8) . .
C2 C3 C4 C11 173.6(5) . .
C3 C4 C5 C6 10.9(7) . .
C11 C4 C5 C6 -172.1(5) . .
C4 C5 C6 C1 2.6(7) . .
C4 C5 C6 C15 -170.5(5) . .
C2 C1 C6 C5 -18.2(6) . .
P1A C1 C6 C5 143.2(4) . .
P1B C1 C6 C5 141.1(8) . .
C2 C1 C6 C15 154.1(4) . .
P1A C1 C6 C15 -44.6(6) . .
P1B C1 C6 C15 -46.6(9) . .
C3 C2 C7 C9 -164.9(4) . .
C1 C2 C7 C9 6.5(6) . .
C3 C2 C7 C8 68.3(6) . .
C1 C2 C7 C8 -120.2(5) . .
C3 C2 C7 C10 -50.0(6) . .
C1 C2 C7 C10 121.5(5) . .
C5 C4 C11 C12B -59.5(10) . .
C3 C4 C11 C12B 117.4(10) . .
C5 C4 C11 C12A 125.2(7) . .
C3 C4 C11 C12A -57.9(8) . .
C5 C4 C11 C13B 60.1(10) . .
C3 C4 C11 C13B -122.9(9) . .
C5 C4 C11 C13A -116.3(7) . .
C3 C4 C11 C13A 60.6(8) . .
C5 C4 C11 C14B 176.5(9) . .
C3 C4 C11 C14B -6.6(11) . .
C5 C4 C11 C14A -0.4(8) . .
C3 C4 C11 C14A 176.5(7) . .
C5 C6 C15 C18 176.6(4) . .
C1 C6 C15 C18 4.3(7) . .
C5 C6 C15 C17 -57.1(5) . .
C1 C6 C15 C17 130.6(5) . .
C5 C6 C15 C16 60.9(5) . .
C1 C6 C15 C16 -111.4(5) . .
P2B P3B C19 C24 -43.8(15) . .
P4B P3B C19 C24 -130.9(11) . .
Ag1 P3B C19 C24 86.4(19) 3_666 .
P2B P3B C19 C20 119.3(11) . .
P4B P3B C19 C20 32.2(12) . .
Ag1 P3B C19 C20 -110.5(19) 3_666 .
P2B P3B C19 P3A -37(5) . .
P4B P3B C19 P3A -124(6) . .
Ag1 P3B C19 P3A 94(6) 3_666 .
P2A P3A C19 C24 -125.4(3) . .
P4A P3A C19 C24 -36.7(4) . .
Ag1 P3A C19 C24 102.9(4) 3_666 .
P2A P3A C19 C20 35.2(4) . .
P4A P3A C19 C20 124.0(3) . .
Ag1 P3A C19 C20 -96.5(4) 3_666 .
P2A P3A C19 P3B 61(5) . .
P4A P3A C19 P3B 150(6) . .
Ag1 P3A C19 P3B -71(5) 3_666 .
C24 C19 C20 C21 17.6(6) . .
P3B C19 C20 C21 -147.1(9) . .
P3A C19 C20 C21 -142.9(4) . .
C24 C19 C20 C25 -155.0(4) . .
P3B C19 C20 C25 40.3(10) . .
P3A C19 C20 C25 44.4(6) . .
C19 C20 C21 C22 -3.2(7) . .
C25 C20 C21 C22 170.1(5) . .
C20 C21 C22 C23 -9.9(8) . .
C20 C21 C22 C29 168.9(5) . .
C21 C22 C23 C24 9.0(7) . .
C29 C22 C23 C24 -169.7(5) . .
C22 C23 C24 C19 4.8(7) . .
C22 C23 C24 C33 -168.5(4) . .
C20 C19 C24 C23 -18.4(6) . .
P3B C19 C24 C23 143.5(11) . .
P3A C19 C24 C23 142.2(4) . .
C20 C19 C24 C33 154.3(4) . .
P3B C19 C24 C33 -43.8(12) . .
P3A C19 C24 C33 -45.1(6) . .
C21 C20 C25 C26 -172.3(5) . .
C19 C20 C25 C26 0.4(7) . .
C21 C20 C25 C28 -55.9(6) . .
C19 C20 C25 C28 116.7(5) . .
C21 C20 C25 C27 61.2(6) . .
C19 C20 C25 C27 -126.2(5) . .
C23 C22 C29 C31A -137.1(7) . .
C21 C22 C29 C31A 44.2(8) . .
C23 C22 C29 C31B -167.8(14) . .
C21 C22 C29 C31B 13.5(15) . .
C23 C22 C29 C30B 65.8(17) . .
C21 C22 C29 C30B -112.9(17) . .
C23 C22 C29 C32A -12.5(9) . .
C21 C22 C29 C32A 168.8(7) . .
C23 C22 C29 C32B -53.7(15) . .
C21 C22 C29 C32B 127.7(14) . .
C23 C22 C29 C30A 103.3(7) . .
C21 C22 C29 C30A -75.4(8) . .
C23 C24 C33 C35 -68.6(5) . .
C19 C24 C33 C35 118.7(5) . .
C23 C24 C33 C36 165.5(4) . .
C19 C24 C33 C36 -7.2(6) . .
C23 C24 C33 C34 50.3(5) . .
C19 C24 C33 C34 -122.5(5) . .
O4A Al1 O1A C37A -33.3(15) . .
O3A Al1 O1A C37A 87.1(14) . .
O2B Al1 O1A C37A -158.3(14) . .
O2A Al1 O1A C37A -155.9(14) . .
O4B Al1 O1A C37A -34.2(13) . .
O3B Al1 O1A C37A 88.3(15) . .
O1B Al1 O1A C37A 78(10) . .
Al1 O1A C37A C38A -92.7(11) . .
Al1 O1A C37A C39A 142.3(8) . .
O1A C37A C38A F1A 61.0(12) . .
C39A C37A C38A F1A -177.0(8) . .
O1A C37A C38A F3A -176.7(9) . .
C39A C37A C38A F3A -54.8(13) . .
O1A C37A C38A F2A -57.9(10) . .
C39A C37A C38A F2A 64.1(10) . .
O1A C37A C39A F5A 62.6(10) . .
C38A C37A C39A F5A -61.6(10) . .
O1A C37A C39A F4A -177.1(8) . .
C38A C37A C39A F4A 58.7(11) . .
O1A C37A C39A F6A -57.4(10) . .
C38A C37A C39A F6A 178.4(9) . .
O4A Al1 O1B C37B -8(2) . .
O1A Al1 O1B C37B -79(11) . .
O3A Al1 O1B C37B 109.7(19) . .
O2B Al1 O1B C37B -137.5(18) . .
O2A Al1 O1B C37B -134.6(18) . .
O4B Al1 O1B C37B -9(2) . .
O3B Al1 O1B C37B 111(2) . .
Al1 O1B C37B C38B -101(2) . .
Al1 O1B C37B C39B 133.0(16) . .
O1B C37B C38B F1B 56(2) . .
C39B C37B C38B F1B -179.4(16) . .
O1B C37B C38B F3B 180(2) . .
C39B C37B C38B F3B -56(2) . .
O1B C37B C38B F2B -65(2) . .
C39B C37B C38B F2B 60.2(18) . .
O1B C37B C39B F5B 73(2) . .
C38B C37B C39B F5B -52.8(18) . .
O1B C37B C39B F4B -168.8(19) . .
C38B C37B C39B F4B 65.1(18) . .
O1B C37B C39B F6B -48(2) . .
C38B C37B C39B F6B -173.9(16) . .
O4A Al1 O2A C40A -12(3) . .
O1A Al1 O2A C40A 106(2) . .
O3A Al1 O2A C40A -131.2(19) . .
O2B Al1 O2A C40A -101(30) . .
O4B Al1 O2A C40A -9(2) . .
O3B Al1 O2A C40A -137.2(19) . .
O1B Al1 O2A C40A 112(2) . .
Al1 O2A C40A C41A -90(2) . .
Al1 O2A C40A C42A 146.7(19) . .
O2A C40A C41A F8A -51.4(18) . .
C42A C40A C41A F8A 69.8(14) . .
O2A C40A C41A F7A 66.0(18) . .
C42A C40A C41A F7A -172.9(12) . .
O2A C40A C41A F9A -172.1(18) . .
C42A C40A C41A F9A -50.9(16) . .
O2A C40A C42A F12A -53.6(18) . .
C41A C40A C42A F12A -176.2(13) . .
O2A C40A C42A F11A -173.8(18) . .
C41A C40A C42A F11A 63.5(18) . .
O2A C40A C42A F10A 67.9(18) . .
C41A C40A C42A F10A -54.8(15) . .
O4A Al1 O2B C40B -22(3) . .
O1A Al1 O2B C40B 99(2) . .
O3A Al1 O2B C40B -138.1(19) . .
O2A Al1 O2B C40B 71(28) . .
O4B Al1 O2B C40B -19(3) . .
O3B Al1 O2B C40B -144(2) . .
O1B Al1 O2B C40B 106(3) . .
Al1 O2B C40B C41B -96(2) . .
Al1 O2B C40B C42B 137.8(18) . .
O2B C40B C41B F8B -66.0(18) . .
C42B C40B C41B F8B 58.0(15) . .
O2B C40B C41B F7B 51.4(18) . .
C42B C40B C41B F7B 175.4(13) . .
O2B C40B C41B F9B 170.1(17) . .
C42B C40B C41B F9B -66.0(16) . .
O2B C40B C42B F12B -66(2) . .
C41B C40B C42B F12B 168.4(13) . .
O2B C40B C42B F10B 56(2) . .
C41B C40B C42B F10B -69.6(15) . .
O2B C40B C42B F11B 178.7(18) . .
C41B C40B C42B F11B 53.0(17) . .
O4A Al1 O3A C43A -140.8(14) . .
O1A Al1 O3A C43A 97.6(13) . .
O2B Al1 O3A C43A -19.4(18) . .
O2A Al1 O3A C43A -16.9(19) . .
O4B Al1 O3A C43A -142.9(13) . .
O3B Al1 O3A C43A 87(20) . .
O1B Al1 O3A C43A 98.8(16) . .
Al1 O3A C43A C44A -115.4(14) . .
Al1 O3A C43A C45A 120.2(14) . .
O3A C43A C44A F14A 171.3(14) . .
C45A C43A C44A F14A -66.4(14) . .
O3A C43A C44A F15A -67.5(16) . .
C45A C43A C44A F15A 54.8(15) . .
O3A C43A C44A F13A 51.7(15) . .
C45A C43A C44A F13A 174.0(13) . .
O3A C43A C45A F17A 52.1(15) . .
C44A C43A C45A F17A -70.9(14) . .
O3A C43A C45A F16A 174.2(14) . .
C44A C43A C45A F16A 51.2(14) . .
O3A C43A C45A F18A -66.5(15) . .
C44A C43A C45A F18A 170.4(13) . .
O4A Al1 O3B C43B -131.7(17) . .
O1A Al1 O3B C43B 107.8(15) . .
O3A Al1 O3B C43B -82(19) . .
O2B Al1 O3B C43B -7(2) . .
O2A Al1 O3B C43B -4(2) . .
O4B Al1 O3B C43B -134.0(16) . .
O1B Al1 O3B C43B 109.1(17) . .
Al1 O3B C43B C44B -130.6(17) . .
Al1 O3B C43B C45B 104.9(19) . .
O3B C43B C44B F14B -172.3(18) . .
C45B C43B C44B F14B -50.0(17) . .
O3B C43B C44B F15B -50(2) . .
C45B C43B C44B F15B 72.1(18) . .
O3B C43B C44B F13B 68.4(18) . .
C45B C43B C44B F13B -169.3(16) . .
O3B C43B C45B F17B 68.3(19) . .
C44B C43B C45B F17B -54.3(18) . .
O3B C43B C45B F16B -170.5(18) . .
C44B C43B C45B F16B 66.9(17) . .
O3B C43B C45B F18B -50.1(18) . .
C44B C43B C45B F18B -172.8(16) . .
O1A Al1 O4A C46A 133.9(19) . .
O3A Al1 O4A C46A 8(2) . .
O2B Al1 O4A C46A -106(2) . .
O2A Al1 O4A C46A -111(2) . .
O4B Al1 O4A C46A 149(35) . .
O3B Al1 O4A C46A 13(3) . .
O1B Al1 O4A C46A 127(2) . .
Al1 O4A C46A C48A 101(2) . .
Al1 O4A C46A C47A -132(2) . .
O4A C46A C47A F20A 175.8(19) . .
C48A C46A C47A F20A -59(2) . .
O4A C46A C47A F19A 56(2) . .
C48A C46A C47A F19A -178.5(16) . .
O4A C46A C47A F21A -63.9(19) . .
C48A C46A C47A F21A 61.6(18) . .
O4A C46A C48A F23A -28(3) . .
C47A C46A C48A F23A -152(2) . .
O4A C46A C48A F22A -165(2) . .
C47A C46A C48A F22A 70(2) . .
O4A C46A C48A F24A 80.7(19) . .
C47A C46A C48A F24A -43.8(18) . .
O4A Al1 O4B C46B -24(33) . .
O1A Al1 O4B C46B 140.9(13) . .
O3A Al1 O4B C46B 15.5(18) . .
O2B Al1 O4B C46B -100.2(18) . .
O2A Al1 O4B C46B -105.7(17) . .
O3B Al1 O4B C46B 20.4(19) . .
O1B Al1 O4B C46B 133.8(15) . .
Al1 O4B C46B C48B 112.6(18) . .
Al1 O4B C46B C47B -120.9(16) . .
O4B C46B C47B F20B 176.9(17) . .
C48B C46B C47B F20B -57.6(19) . .
O4B C46B C47B F19B 54(2) . .
C48B C46B C47B F19B 179.3(15) . .
O4B C46B C47B F21B -63.6(18) . .
C48B C46B C47B F21B 61.9(17) . .
O4B C46B C48B F23B 34(2) . .
C47B C46B C48B F23B -91(2) . .
O4B C46B C48B F22B 173.0(19) . .
C47B C46B C48B F22B 48(2) . .
O4B C46B C48B F24B -75.9(16) . .
C47B C46B C48B F24B 159.3(15) . .
Cl7D C51D Cl8D Cl8D -121(4) . 3_667
