#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/34/4343458.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_4343458
loop_
_publ_author_name
'Attenberger, Bianca'
'Peresypkina, Eugenia V.'
'Scheer, Manfred'
_publ_section_title
;
 Novel Two- and Three-Dimensional Organometallic-Organic Hybrid Materials
 Based on Polyphosphorus Complexes.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7021
_journal_page_last               7029
_journal_paper_doi               10.1021/acs.inorgchem.5b01048
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety
'C50 H40 Ag2 Mo2 N6 O8 P2, 2(Al O4 C16 F36), 0.75(C H2 Cl2), 0.5(C7 H8)'
_chemical_formula_sum
'C86.25 H45.5 Ag2 Al2 Cl1.5 F72 Mo2 N6 O12 P2'
_chemical_formula_weight         3302.48
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 90.984(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.5386(8)
_cell_length_b                   30.4147(11)
_cell_length_c                   20.9523(6)
_cell_measurement_reflns_used    10290
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      74.6540
_cell_measurement_theta_min      3.4550
_cell_volume                     11812.1(7)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 10.3546
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0439
_diffrn_reflns_av_sigmaI/netI    0.0886
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            42065
_diffrn_reflns_theta_full        67.50
_diffrn_reflns_theta_max         75.56
_diffrn_reflns_theta_min         3.47
_exptl_absorpt_coefficient_mu    6.620
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.72842
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.857
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             6434
_exptl_crystal_size_max          0.0771
_exptl_crystal_size_mid          0.0512
_exptl_crystal_size_min          0.0507
_refine_diff_density_max         1.767
_refine_diff_density_min         -1.468
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.943
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1687
_refine_ls_number_reflns         23312
_refine_ls_number_restraints     772
_refine_ls_restrained_S_all      0.950
_refine_ls_R_factor_all          0.1080
_refine_ls_R_factor_gt           0.0688
_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)+(0.1214P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1800
_refine_ls_wR_factor_ref         0.1966
_reflns_number_gt                13915
_reflns_number_total             23312
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b01048_si_004.cif
_cod_data_source_block           cube
_cod_depositor_comments
'Adding full bibliography for 4343458--4343460.cif.'
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_original_formula_sum
'C86.25 H45.50 Ag2 Al2 Cl1.50 F72 Mo2 N6 O12 P2'
_cod_database_code               4343458
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.34087(3) 0.401432(17) 0.17927(2) 0.03347(12) Uani 1 1 d . . .
Ag2 Ag 0.09242(3) 0.401992(17) 0.24855(2) 0.03514(13) Uani 1 1 d . . .
Mo1 Mo 0.26761(3) 0.493953(18) 0.33227(2) 0.03033(13) Uani 1 1 d . . .
Mo2 Mo 0.21516(3) 0.530760(18) 0.20412(3) 0.03267(13) Uani 1 1 d . . .
P1 P 0.27170(10) 0.45741(6) 0.22931(8) 0.0335(4) Uani 1 1 d . . .
P2 P 0.16607(10) 0.46637(6) 0.25964(9) 0.0351(4) Uani 1 1 d . . .
C1C C 0.1812(5) 0.5247(3) 0.3667(4) 0.0456(18) Uani 1 1 d . . .
C2C C 0.2362(5) 0.4398(3) 0.3770(3) 0.0415(17) Uani 1 1 d . . .
C3C C 0.2065(7) 0.4979(3) 0.1229(4) 0.063(3) Uani 1 1 d . . .
C4C C 0.3197(5) 0.5382(3) 0.1868(4) 0.048(2) Uani 1 1 d . . .
O1C O 0.1342(4) 0.5426(3) 0.3890(3) 0.0637(18) Uani 1 1 d . . .
O2C O 0.2215(4) 0.4100(2) 0.4061(3) 0.0549(16) Uani 1 1 d . . .
O3C O 0.2200(11) 0.4797(9) 0.0728(11) 0.069(5) Uani 0.55 1 d P . .
O3CA O 0.1835(12) 0.4814(11) 0.0762(11) 0.066(7) Uani 0.45 1 d P . .
O4C O 0.3797(4) 0.5430(3) 0.1763(4) 0.069(2) Uani 1 1 d . . .
C11 C 0.3403(5) 0.5043(3) 0.4204(4) 0.052(2) Uani 1 1 d . . .
H11A H 0.3274 0.4975 0.4655 0.063 Uiso 1 1 calc R . .
C12 C 0.3337(5) 0.5459(3) 0.3900(4) 0.053(2) Uani 1 1 d . . .
H12A H 0.3139 0.5732 0.4097 0.063 Uiso 1 1 calc R . .
C13 C 0.3666(4) 0.5432(3) 0.3302(4) 0.0430(18) Uani 1 1 d . . .
H13A H 0.3724 0.5681 0.2995 0.052 Uiso 1 1 calc R . .
C14 C 0.3927(4) 0.5008(3) 0.3218(4) 0.048(2) Uani 1 1 d . . .
H14A H 0.4213 0.4903 0.2848 0.058 Uiso 1 1 calc R . .
C15 C 0.3775(5) 0.4758(3) 0.3782(4) 0.053(2) Uani 1 1 d . . .
H15A H 0.3952 0.4455 0.3882 0.064 Uiso 1 1 calc R . .
C21 C 0.1137(6) 0.5681(4) 0.1702(5) 0.065(3) Uani 1 1 d . . .
H21A H 0.0741 0.5560 0.1425 0.078 Uiso 1 1 calc R . .
C22 C 0.1138(5) 0.5704(4) 0.2373(5) 0.065(3) Uani 1 1 d . . .
H22A H 0.0750 0.5590 0.2655 0.078 Uiso 1 1 calc R . .
C23 C 0.2124(6) 0.6070(3) 0.2029(5) 0.055(2) Uani 1 1 d . . .
H23A H 0.2558 0.6266 0.2025 0.066 Uiso 1 1 calc R . .
C24 C 0.1751(5) 0.5944(3) 0.2578(5) 0.053(2) Uani 1 1 d . . .
H24A H 0.1876 0.6030 0.3027 0.064 Uiso 1 1 calc R . .
C25 C 0.1757(5) 0.5912(3) 0.1488(5) 0.055(2) Uani 1 1 d . . .
H25A H 0.1868 0.5985 0.1034 0.066 Uiso 1 1 calc R . .
N11 N 0.3330(4) 0.3385(2) 0.2483(3) 0.0413(15) Uani 1 1 d . . .
N12 N 0.3448(4) 0.1347(2) 0.5839(3) 0.0397(14) Uani 1 1 d . . .
N13 N 0.4646(3) 0.4144(2) 0.1917(3) 0.0389(14) Uani 1 1 d . . .
N14 N 0.9661(4) 0.3969(2) 0.2458(3) 0.0428(15) Uani 1 1 d . . .
N15 N 0.0972(4) 0.3626(2) 0.1528(3) 0.0438(15) Uani 1 1 d . . .
N16 N 0.0989(4) 0.1536(2) -0.1745(3) 0.0421(15) Uani 1 1 d . . .
C31 C 0.2872(4) 0.3431(3) 0.2963(4) 0.0406(17) Uani 1 1 d . . .
H31A H 0.2537 0.3666 0.2944 0.049 Uiso 1 1 calc R . .
C32 C 0.2859(4) 0.3157(3) 0.3481(4) 0.0457(19) Uani 1 1 d . . .
H32A H 0.2525 0.3210 0.3812 0.055 Uiso 1 1 calc R . .
C35 C 0.3792(5) 0.3045(3) 0.2526(4) 0.049(2) Uani 1 1 d . . .
H35A H 0.4126 0.3005 0.2192 0.059 Uiso 1 1 calc R . .
C36 C 0.3810(5) 0.2752(3) 0.3025(4) 0.0467(19) Uani 1 1 d . . .
H36A H 0.4145 0.2515 0.3031 0.056 Uiso 1 1 calc R . .
C37 C 0.3325(4) 0.2809(3) 0.3524(4) 0.0398(16) Uani 1 1 d . . .
C38 C 0.3310(5) 0.2519(3) 0.4085(4) 0.0455(19) Uani 1 1 d . . .
H38A H 0.3022 0.2615 0.4429 0.055 Uiso 1 1 calc R . .
C39 C 0.3647(5) 0.2142(3) 0.4167(4) 0.0430(18) Uani 1 1 d . . .
H39A H 0.3941 0.2037 0.3832 0.052 Uiso 1 1 calc R . .
C40 C 0.3595(4) 0.1871(3) 0.4753(3) 0.0393(16) Uani 1 1 d . . .
C41 C 0.3732(7) 0.1425(3) 0.4748(4) 0.064(3) Uani 1 1 d . . .
H41A H 0.3873 0.1285 0.4365 0.077 Uiso 1 1 calc R . .
C42 C 0.3664(7) 0.1183(3) 0.5300(4) 0.062(3) Uani 1 1 d . . .
H42A H 0.3781 0.0879 0.5286 0.074 Uiso 1 1 calc R . .
C43 C 0.3406(7) 0.2041(3) 0.5321(5) 0.072(3) Uani 1 1 d . . .
H43A H 0.3330 0.2349 0.5356 0.086 Uiso 1 1 calc R . .
C44 C 0.3322(8) 0.1780(3) 0.5854(4) 0.077(4) Uani 1 1 d . . .
H44A H 0.3170 0.1910 0.6241 0.093 Uiso 1 1 calc R . .
C46 C 0.5015(5) 0.3942(3) 0.2381(4) 0.048(2) Uani 1 1 d . . .
H46A H 0.4751 0.3805 0.2712 0.057 Uiso 1 1 calc R . .
C47 C 0.5751(5) 0.3918(3) 0.2412(4) 0.047(2) Uani 1 1 d . . .
H47A H 0.5985 0.3768 0.2755 0.056 Uiso 1 1 calc R . .
C48 C 0.5024(4) 0.4340(3) 0.1470(4) 0.050(2) Uani 1 1 d . . .
H48A H 0.4774 0.4495 0.1142 0.060 Uiso 1 1 calc R . .
C49 C 0.5772(5) 0.4329(3) 0.1461(4) 0.050(2) Uani 1 1 d . . .
H49A H 0.6022 0.4469 0.1126 0.059 Uiso 1 1 calc R . .
C50 C 0.6155(4) 0.4114(2) 0.1942(4) 0.0365(15) Uani 1 1 d . . .
C51 C 0.6930(5) 0.4106(3) 0.1924(4) 0.0408(17) Uani 1 1 d . . .
H51A H 0.7154 0.4268 0.1594 0.049 Uiso 1 1 calc R . .
C52 C 0.7357(4) 0.3891(3) 0.2328(4) 0.0425(17) Uani 1 1 d . . .
H52A H 0.7129 0.3713 0.2638 0.051 Uiso 1 1 calc R . .
C53 C 0.8146(4) 0.3901(3) 0.2343(4) 0.0406(17) Uani 1 1 d . . .
C54 C 0.8561(5) 0.4117(3) 0.1886(4) 0.056(2) Uani 1 1 d . . .
H54A H 0.8334 0.4250 0.1525 0.067 Uiso 1 1 calc R . .
C55 C 0.9296(5) 0.4135(3) 0.1962(4) 0.052(2) Uani 1 1 d . . .
H55A H 0.9563 0.4277 0.1638 0.063 Uiso 1 1 calc R . .
C56 C 0.8524(5) 0.3717(4) 0.2849(4) 0.055(2) Uani 1 1 d . . .
H56A H 0.8275 0.3560 0.3168 0.066 Uiso 1 1 calc R . .
C57 C 0.9267(5) 0.3762(3) 0.2892(4) 0.054(2) Uani 1 1 d . . .
H57A H 0.9510 0.3637 0.3252 0.065 Uiso 1 1 calc R . .
C58 C 0.1476(6) 0.3685(4) 0.1094(5) 0.062(3) Uani 1 1 d . . .
H58A H 0.1841 0.3898 0.1178 0.074 Uiso 1 1 calc R . .
C59 C 0.1499(6) 0.3453(4) 0.0520(5) 0.065(3) Uani 1 1 d . . .
H59A H 0.1867 0.3515 0.0224 0.078 Uiso 1 1 calc R . .
C61 C 0.0459(5) 0.3078(3) 0.0832(5) 0.052(2) Uani 1 1 d . . .
H61A H 0.0084 0.2870 0.0759 0.062 Uiso 1 1 calc R . .
C62 C 0.0477(5) 0.3326(3) 0.1388(4) 0.047(2) Uani 1 1 d . . .
H62A H 0.0108 0.3276 0.1689 0.057 Uiso 1 1 calc R . .
C63 C 0.1049(5) 0.2866(3) -0.0192(4) 0.055(2) Uani 1 1 d . . .
H63A H 0.1298 0.2983 -0.0547 0.065 Uiso 1 1 calc R . .
C64 C 0.0772(5) 0.2472(3) -0.0241(4) 0.050(2) Uani 1 1 d . . .
H64A H 0.0497 0.2374 0.0109 0.061 Uiso 1 1 calc R . .
C65 C 0.0838(5) 0.2166(3) -0.0772(4) 0.0462(19) Uani 1 1 d . . .
C66 C 0.0740(5) 0.1721(3) -0.0657(4) 0.049(2) Uani 1 1 d . . .
H66A H 0.0625 0.1621 -0.0241 0.059 Uiso 1 1 calc R . .
C67 C 0.0811(5) 0.1424(3) -0.1150(4) 0.0439(18) Uani 1 1 d . . .
H67A H 0.0728 0.1122 -0.1062 0.053 Uiso 1 1 calc R . .
C68 C 0.1088(5) 0.1957(3) -0.1852(4) 0.049(2) Uani 1 1 d . . .
H68A H 0.1217 0.2045 -0.2270 0.059 Uiso 1 1 calc R . .
C69 C 0.1015(5) 0.2281(3) -0.1394(4) 0.052(2) Uani 1 1 d . . .
H69A H 0.1085 0.2581 -0.1503 0.062 Uiso 1 1 calc R . .
C70 C 0.0995(5) 0.3137(3) 0.0382(4) 0.0485(19) Uani 1 1 d . . .
Al1 Al 0.67260(12) 0.27464(7) 0.53512(9) 0.0324(4) Uani 1 1 d . . .
O1 O 0.6308(4) 0.3175(2) 0.4958(3) 0.0495(14) Uani 1 1 d . . .
O2 O 0.6392(3) 0.26468(17) 0.6102(2) 0.0414(12) Uani 1 1 d . A .
O3 O 0.7623(3) 0.2895(2) 0.5462(3) 0.0543(15) Uani 1 1 d . . .
O4 O 0.6640(4) 0.22691(18) 0.4915(2) 0.0492(15) Uani 1 1 d . . .
C1T C 0.5742(5) 0.3297(3) 0.4582(4) 0.048(2) Uani 1 1 d . . .
C2T C 0.6350(5) 0.2770(3) 0.6715(3) 0.0404(17) Uani 1 1 d D . .
C3T C 0.8227(5) 0.3074(3) 0.5217(5) 0.054(2) Uani 1 1 d . B .
C4T C 0.6585(6) 0.1831(3) 0.4918(4) 0.049(2) Uani 1 1 d . . .
C101 C 0.5683(6) 0.3028(3) 0.3956(4) 0.054(2) Uani 1 1 d . . .
F11A F 0.5374(4) 0.26422(19) 0.4060(3) 0.0689(16) Uani 1 1 d U . .
F11B F 0.6336(4) 0.2949(2) 0.3743(3) 0.0779(19) Uani 1 1 d U . .
F11C F 0.5319(4) 0.32279(19) 0.3495(2) 0.0646(15) Uani 1 1 d U . .
C102 C 0.4999(7) 0.3265(5) 0.4930(5) 0.075(3) Uani 1 1 d . . .
F12A F 0.4979(4) 0.2878(3) 0.5230(3) 0.091(2) Uani 1 1 d U . .
F12B F 0.4448(4) 0.3300(3) 0.4544(4) 0.094(2) Uani 1 1 d U . .
F12C F 0.4964(5) 0.3575(3) 0.5375(4) 0.106(3) Uani 1 1 d U . .
C103 C 0.5889(7) 0.3783(3) 0.4414(5) 0.067(3) Uani 1 1 d . . .
F13A F 0.5308(5) 0.3985(2) 0.4165(4) 0.097(3) Uani 1 1 d U . .
F13B F 0.6403(5) 0.3818(3) 0.3974(4) 0.094(2) Uani 1 1 d U . .
F13C F 0.6110(5) 0.4017(2) 0.4910(4) 0.099(3) Uani 1 1 d U . .
F23C F 0.6328(3) 0.34178(18) 0.7377(2) 0.0621(15) Uani 1 1 d DU . .
C201 C 0.7103(10) 0.2649(6) 0.7089(8) 0.055(4) Uiso 0.65 1 d P A 1
F21A F 0.7570(6) 0.2934(4) 0.6983(5) 0.077(3) Uiso 0.65 1 d P A 1
F21C F 0.7267(7) 0.2245(5) 0.6919(6) 0.090(3) Uiso 0.65 1 d P A 1
F21B F 0.6906(11) 0.2614(7) 0.7719(7) 0.079(5) Uani 0.65 1 d PU A 1
C202 C 0.5759(10) 0.2515(6) 0.7037(8) 0.058(4) Uiso 0.65 1 d P A 1
F22A F 0.5166(8) 0.2507(5) 0.6638(5) 0.091(2) Uani 0.65 1 d PU A 1
F22B F 0.5902(7) 0.2094(4) 0.7136(5) 0.091(2) Uani 0.65 1 d PU A 1
F22C F 0.5471(10) 0.2722(6) 0.7550(7) 0.091(2) Uani 0.65 1 d PU A 1
C203 C 0.6229(9) 0.3265(5) 0.6780(6) 0.046(3) Uiso 0.65 1 d P A 1
F23B F 0.6680(6) 0.3485(2) 0.6406(4) 0.064(3) Uani 0.65 1 d PU A 1
F23A F 0.5556(7) 0.3370(4) 0.6613(6) 0.088(3) Uiso 0.65 1 d P A 1
C204 C 0.5538(12) 0.2679(7) 0.6955(10) 0.032(4) Uiso 0.35 1 d P A 2
F24B F 0.5601(12) 0.2648(7) 0.7629(11) 0.048(4) Uiso 0.35 1 d P A 2
F24C F 0.5128(12) 0.2985(7) 0.6739(10) 0.083(5) Uiso 0.35 1 d P A 2
F24A F 0.5336(10) 0.2286(6) 0.6763(9) 0.062(4) Uiso 0.35 1 d P A 2
C205 C 0.6869(14) 0.2512(9) 0.7117(11) 0.039(5) Uiso 0.35 1 d P A 2
F25A F 0.6614(11) 0.2082(7) 0.7172(9) 0.077(5) Uiso 0.35 1 d P A 2
F25B F 0.7513(9) 0.2420(6) 0.6812(7) 0.054(4) Uiso 0.35 1 d P A 2
F25C F 0.7096(17) 0.2665(11) 0.7704(19) 0.056(7) Uiso 0.35 1 d P A 2
C206 C 0.6538(10) 0.3256(8) 0.6805(7) 0.044(6) Uiso 0.35 1 d PD A 2
F26A F 0.7264(10) 0.3315(7) 0.6802(9) 0.077(5) Uiso 0.35 1 d PD A 2
F26B F 0.6164(11) 0.3503(7) 0.6370(9) 0.071(5) Uiso 0.35 1 d PD A 2
C301 C 0.8793(6) 0.3049(5) 0.5755(7) 0.081(4) Uani 1 1 d . . .
F31C F 0.9478(4) 0.3112(3) 0.5547(4) 0.097(2) Uani 1 1 d U . .
F31B F 0.8820(4) 0.2661(3) 0.6055(4) 0.096(2) Uani 1 1 d U . .
F31A F 0.8680(4) 0.3349(3) 0.6207(4) 0.101(3) Uani 1 1 d U . .
C302 C 0.8472(6) 0.2812(4) 0.4636(5) 0.070(3) Uani 1 1 d . . .
F32C F 0.9004(4) 0.3008(3) 0.4318(3) 0.084(2) Uani 1 1 d U . .
F32B F 0.8772(5) 0.2422(3) 0.4831(4) 0.099(3) Uani 1 1 d U . .
F32A F 0.7950(4) 0.2721(3) 0.4244(3) 0.100(3) Uani 1 1 d U . .
C303 C 0.8146(8) 0.3549(5) 0.5037(9) 0.093(5) Uani 1 1 d . . .
F33C F 0.8826(12) 0.3742(9) 0.5087(9) 0.089(6) Uani 0.60 1 d PDU B 1
F33B F 0.7786(11) 0.3763(7) 0.5559(7) 0.076(5) Uani 0.60 1 d PDU B 1
F33A F 0.7825(11) 0.3643(7) 0.4532(10) 0.099(7) Uani 0.60 1 d PDU B 1
F33F F 0.7692(18) 0.3791(11) 0.5291(11) 0.078(7) Uani 0.40 1 d PU B 2
F33E F 0.8701(16) 0.3774(11) 0.4856(13) 0.073(7) Uani 0.40 1 d PU B 2
F33D F 0.7710(13) 0.3496(8) 0.4384(12) 0.071(6) Uani 0.40 1 d PU B 2
C401 C 0.6469(9) 0.1673(3) 0.4215(5) 0.080(4) Uani 1 1 d . . .
C402 C 0.7264(7) 0.1608(3) 0.5199(5) 0.067(3) Uani 1 1 d . . .
C403 C 0.5908(8) 0.1685(4) 0.5303(6) 0.074(3) Uani 1 1 d . . .
F41C F 0.6598(4) 0.12425(18) 0.4141(3) 0.0763(19) Uani 1 1 d U . .
F41A F 0.6909(5) 0.1883(2) 0.3830(3) 0.094(3) Uani 1 1 d U . .
F41B F 0.5793(6) 0.1751(3) 0.4021(4) 0.105(3) Uani 1 1 d U . .
F42C F 0.7506(4) 0.1819(2) 0.5707(3) 0.085(2) Uani 1 1 d U . .
F42B F 0.7818(4) 0.1629(3) 0.4783(4) 0.096(2) Uani 1 1 d U . .
F42A F 0.7166(5) 0.1184(2) 0.5341(3) 0.086(2) Uani 1 1 d U . .
F43C F 0.5705(4) 0.1275(2) 0.5153(4) 0.086(2) Uani 1 1 d U . .
F43B F 0.5383(4) 0.1951(2) 0.5226(4) 0.091(2) Uani 1 1 d U . .
F43A F 0.6084(5) 0.1680(2) 0.5934(3) 0.084(2) Uani 1 1 d U . .
Al2 Al 0.22048(14) 0.41611(9) 0.69199(14) 0.0486(6) Uani 1 1 d . . .
O5 O 0.2097(6) 0.4272(4) 0.7699(4) 0.099(3) Uani 1 1 d . C .
O8 O 0.2204(5) 0.3618(2) 0.6792(4) 0.078(2) Uani 1 1 d . E .
C5T C 0.1843(7) 0.4222(4) 0.8267(6) 0.076(3) Uani 1 1 d D . .
C6T C 0.3668(6) 0.4502(4) 0.6678(6) 0.083(4) Uani 1 1 d D . .
C8T C 0.2087(7) 0.3233(4) 0.6553(7) 0.087(4) Uani 1 1 d D . .
C501 C 0.2283(11) 0.4516(6) 0.8744(9) 0.088(5) Uiso 0.75 1 d PD C 1
F51A F 0.2929(13) 0.4337(6) 0.8814(10) 0.089(3) Uani 0.50 1 d PDU C 1
F51B F 0.2341(11) 0.4926(5) 0.8507(8) 0.089(3) Uani 0.50 1 d PDU C 1
F51C F 0.1861(10) 0.4573(6) 0.9299(7) 0.089(3) Uani 0.50 1 d PDU C 1
F51D F 0.2126(18) 0.4422(12) 0.9332(15) 0.089(3) Uani 0.25 1 d PDU C 1
F51E F 0.3048(19) 0.4473(13) 0.8718(16) 0.089(3) Uani 0.25 1 d PDU C 1
F51F F 0.218(2) 0.4949(9) 0.8623(16) 0.089(3) Uani 0.25 1 d PDU C 1
C502 C 0.1032(9) 0.4319(7) 0.8270(9) 0.087(5) Uiso 0.75 1 d PD C 1
F52A F 0.0725(7) 0.4131(4) 0.7763(5) 0.1018(13) Uani 0.75 1 d PDU C 1
F52B F 0.0776(8) 0.4089(4) 0.8800(5) 0.1018(13) Uani 0.75 1 d PDU C 1
F52C F 0.0907(7) 0.4734(4) 0.8299(5) 0.1018(13) Uani 0.75 1 d PDU C 1
C503 C 0.2092(12) 0.3741(6) 0.8456(10) 0.089(5) Uiso 0.75 1 d PD C 1
F53A F 0.2732(6) 0.3612(4) 0.8255(5) 0.1018(13) Uani 0.75 1 d PDU C 1
F53B F 0.2068(6) 0.3682(4) 0.9080(5) 0.1018(13) Uani 0.75 1 d PDU C 1
F53C F 0.1580(6) 0.3448(4) 0.8180(5) 0.1018(13) Uani 0.75 1 d PDU C 1
C504 C 0.157(3) 0.4705(10) 0.838(3) 0.087(15) Uiso 0.25 1 d PD C 2
F54A F 0.2075(15) 0.4942(12) 0.7971(16) 0.1018(13) Uani 0.25 1 d PDU C 2
F54B F 0.0867(16) 0.4876(12) 0.8009(14) 0.1018(13) Uani 0.25 1 d PDU C 2
F54C F 0.1584(19) 0.4960(12) 0.8886(14) 0.1018(13) Uani 0.25 1 d PDU C 2
C505 C 0.109(2) 0.4048(16) 0.848(3) 0.110 Uiso 0.25 1 d PD C 2
F55A F 0.064(2) 0.4316(10) 0.8854(14) 0.1018(13) Uani 0.25 1 d PDU C 2
F55B F 0.060(2) 0.3959(11) 0.7914(12) 0.1018(13) Uani 0.25 1 d PDU C 2
F55C F 0.1099(18) 0.3636(10) 0.8782(14) 0.1018(13) Uani 0.25 1 d PDU C 2
C506 C 0.235(2) 0.4110(18) 0.8842(18) 0.078(13) Uiso 0.25 1 d PD C 2
F56A F 0.1928(18) 0.4101(13) 0.9411(16) 0.113(11) Uani 0.25 1 d PDU C 2
F56B F 0.2810(13) 0.4469(8) 0.8918(13) 0.052(6) Uani 0.25 1 d PDU C 2
F56C F 0.2530(15) 0.3754(8) 0.8727(14) 0.083(8) Uani 0.25 1 d PDU C 2
O6 O 0.2976(5) 0.4402(3) 0.6617(4) 0.086(2) Uiso 1 1 d . D .
C601 C 0.4076(13) 0.4119(8) 0.6977(19) 0.125(12) Uani 0.60 1 d PD D 1
F61A F 0.4176(7) 0.3774(6) 0.6521(7) 0.0982(15) Uani 0.60 1 d PDU D 1
F61B F 0.3763(7) 0.3930(5) 0.7434(7) 0.0982(15) Uani 0.60 1 d PDU D 1
F61C F 0.4777(6) 0.4201(5) 0.7220(7) 0.0982(15) Uani 0.60 1 d PDU D 1
C602 C 0.3998(14) 0.4550(9) 0.6024(9) 0.091(6) Uiso 0.60 1 d PD D 1
F62A F 0.3806(7) 0.4982(5) 0.5804(7) 0.0982(15) Uani 0.60 1 d PDU D 1
F62B F 0.4710(6) 0.4555(5) 0.5992(7) 0.0982(15) Uani 0.60 1 d PDU D 1
F62C F 0.3767(7) 0.4311(5) 0.5548(7) 0.0982(15) Uani 0.60 1 d PDU D 1
C603 C 0.3799(9) 0.4895(7) 0.7078(12) 0.085(7) Uani 0.60 1 d PD D 1
F63A F 0.4471(6) 0.5013(5) 0.7111(7) 0.0982(15) Uani 0.60 1 d PDU D 1
F63B F 0.3348(7) 0.5157(6) 0.7000(7) 0.0982(15) Uani 0.60 1 d PDU D 1
F63C F 0.3767(8) 0.4759(6) 0.7758(9) 0.0982(15) Uani 0.60 1 d PDU D 1
C604 C 0.3964(13) 0.4138(7) 0.6275(12) 0.139(18) Uiso 0.40 1 d PD D 2
F64A F 0.4655(12) 0.4271(8) 0.6247(11) 0.116(3) Uiso 0.40 1 d PD D 2
F64B F 0.3643(13) 0.4184(8) 0.5704(12) 0.116(3) Uiso 0.40 1 d PD D 2
F64C F 0.3969(14) 0.3710(8) 0.6453(13) 0.116(3) Uiso 0.40 1 d PD D 2
C605 C 0.3705(18) 0.4991(7) 0.6522(16) 0.075(8) Uiso 0.40 1 d PD D 2
F65A F 0.4406(12) 0.5155(9) 0.6705(11) 0.116(3) Uiso 0.40 1 d PD D 2
F65B F 0.3255(13) 0.5283(10) 0.6820(11) 0.116(3) Uiso 0.40 1 d PD D 2
F65C F 0.3638(14) 0.5108(9) 0.5891(11) 0.116(3) Uiso 0.40 1 d PD D 2
C606 C 0.3979(17) 0.4468(12) 0.7350(10) 0.076(8) Uiso 0.40 1 d PD D 2
F66A F 0.3616(15) 0.4834(9) 0.7697(17) 0.116(3) Uiso 0.40 1 d PD D 2
F66B F 0.3705(14) 0.4096(8) 0.7635(13) 0.116(3) Uiso 0.40 1 d PD D 2
F66C F 0.4677(13) 0.4514(8) 0.7426(12) 0.116(3) Uiso 0.40 1 d PD D 2
O7 O 0.1487(4) 0.4371(3) 0.6464(4) 0.0529(18) Uiso 0.80 1 d P E 1
C7T C 0.1163(6) 0.4661(4) 0.6085(5) 0.050(3) Uani 0.80 1 d PD E 1
C701 C 0.0828(7) 0.5022(5) 0.6519(7) 0.095(3) Uiso 0.80 1 d PD E 1
F71A F 0.0246(6) 0.4882(4) 0.6802(6) 0.124(4) Uani 0.80 1 d PDU E 1
F71B F 0.0649(9) 0.5374(5) 0.6176(7) 0.174(7) Uani 0.80 1 d PDU E 1
F71C F 0.1312(7) 0.5141(4) 0.6943(5) 0.125(4) Uani 0.80 1 d PDU E 1
C702 C 0.1681(7) 0.4880(4) 0.5595(7) 0.095(3) Uiso 0.80 1 d PD E 1
F72A F 0.2074(5) 0.4559(4) 0.5348(4) 0.103(3) Uani 0.80 1 d PDU E 1
F72B F 0.1318(6) 0.5081(5) 0.5133(5) 0.148(5) Uani 0.80 1 d PDU E 1
F72C F 0.2116(6) 0.5166(3) 0.5890(5) 0.101(3) Uani 0.80 1 d PDU E 1
C703 C 0.0509(8) 0.4448(5) 0.5732(7) 0.095(3) Uiso 0.80 1 d PD E 1
F73A F 0.0144(5) 0.4193(4) 0.6116(6) 0.114(4) Uani 0.80 1 d PDU E 1
F73B F 0.0760(7) 0.4215(5) 0.5251(6) 0.142(5) Uani 0.80 1 d PDU E 1
F73C F 0.0048(6) 0.4743(4) 0.5509(6) 0.122(4) Uani 0.80 1 d PDU E 1
O7TA O 0.2017(18) 0.4543(10) 0.6575(14) 0.052(7) Uiso 0.20 1 d PD E 2
C7TA C 0.157(2) 0.4740(13) 0.617(2) 0.058(12) Uiso 0.20 1 d PD E 2
C704 C 0.189(2) 0.5177(11) 0.6451(16) 0.095(3) Uiso 0.20 1 d PD E 2
F74A F 0.184(2) 0.5192(11) 0.7091(15) 0.118(5) Uiso 0.20 1 d PD E 2
F74B F 0.2398(19) 0.5475(15) 0.641(2) 0.118(5) Uiso 0.20 1 d PD E 2
F74C F 0.134(2) 0.5438(16) 0.633(2) 0.118(5) Uiso 0.20 1 d PD E 2
C705 C 0.154(2) 0.4446(12) 0.5563(16) 0.095(3) Uiso 0.20 1 d PD E 2
F75A F 0.2161(19) 0.4265(16) 0.539(3) 0.118(5) Uiso 0.20 1 d PD E 2
F75B F 0.117(2) 0.4076(14) 0.558(2) 0.118(5) Uiso 0.20 1 d PD E 2
F75C F 0.132(2) 0.4585(15) 0.500(2) 0.118(5) Uiso 0.20 1 d PD E 2
C706 C 0.077(2) 0.4818(13) 0.6382(19) 0.095(3) Uiso 0.20 1 d PD E 2
F76A F 0.056(3) 0.4453(11) 0.667(2) 0.118(5) Uiso 0.20 1 d PD E 2
F76B F 0.065(2) 0.5122(13) 0.682(2) 0.118(5) Uiso 0.20 1 d PD E 2
F76C F 0.025(3) 0.4894(15) 0.5957(17) 0.118(5) Uiso 0.20 1 d PD E 2
C801 C 0.2321(13) 0.3206(8) 0.5820(10) 0.139(4) Uiso 1 1 d D E .
F81A F 0.3113(7) 0.3192(5) 0.5862(7) 0.1847(19) Uani 1 1 d DU . .
F81B F 0.2149(8) 0.2947(5) 0.5474(8) 0.1847(19) Uani 1 1 d DU . .
F81C F 0.2311(8) 0.3629(4) 0.5565(7) 0.1847(19) Uani 1 1 d DU . .
C802 C 0.2507(10) 0.2839(6) 0.6877(8) 0.139(4) Uiso 1 1 d D E .
F82A F 0.2382(8) 0.2496(5) 0.6493(8) 0.1847(19) Uani 1 1 d DU . .
F82B F 0.3172(9) 0.2957(5) 0.6978(8) 0.1847(19) Uani 1 1 d DU . .
F82C F 0.2184(8) 0.2754(5) 0.7424(8) 0.1847(19) Uani 1 1 d DU . .
C803 C 0.1257(11) 0.3119(8) 0.6519(12) 0.139(4) Uiso 1 1 d D E .
F83A F 0.0985(8) 0.3366(5) 0.5985(6) 0.1847(19) Uani 1 1 d DU . .
F83B F 0.1071(8) 0.2739(4) 0.6367(7) 0.1847(19) Uani 1 1 d DU . .
F83C F 0.0932(8) 0.3284(5) 0.6974(6) 0.1847(19) Uani 1 1 d DU . .
C1SA C 0.925(3) 0.2956(10) 0.7840(16) 0.093(15) Uiso 0.30 1 d PD F 1
H1SA H 0.9603 0.3062 0.7527 0.112 Uiso 0.30 1 calc PR F 1
H1SB H 0.8782 0.3098 0.7731 0.112 Uiso 0.30 1 calc PR F 1
Cl11 Cl 0.9145(4) 0.2391(2) 0.7727(4) 0.0642(16) Uiso 0.40 1 d PD F 1
Cl12 Cl 0.9516(4) 0.3139(3) 0.8574(4) 0.0668(19) Uiso 0.40 1 d PD F 1
C1S C 0.894(3) 0.2939(14) 0.798(2) 0.062(10) Uiso 0.25 1 d P G 2
H1SC H 0.8707 0.3142 0.7669 0.074 Uiso 0.25 1 calc PR G 2
H1SD H 0.8568 0.2836 0.8282 0.074 Uiso 0.25 1 calc PR G 2
Cl13 Cl 0.9617(10) 0.3184(6) 0.8368(9) 0.055(4) Uiso 0.15 1 d P G 2
Cl14 Cl 0.9365(9) 0.2472(5) 0.7574(7) 0.049(3) Uiso 0.15 1 d P G 2
C2S C 0.032(3) 0.5292(16) 0.992(3) 0.067(13) Uiso 0.20 1 d PD . .
H2SA H 0.0664 0.5053 0.9801 0.081 Uiso 0.10 1 d P H 1
H2SB H 0.0097 0.5206 1.0336 0.081 Uiso 0.10 1 d P I 1
Cl23 Cl -0.0354(16) 0.5350(10) 0.9331(13) 0.070(6) Uiso 0.10 1 d P J 1
Cl24 Cl 0.0703(15) 0.5855(9) 0.9916(13) 0.068(6) Uiso 0.10 1 d P J 1
H2SC H 0.0274 0.5024 0.9651 0.082 Uiso 0.10 1 d P K 2
H2SD H 0.0212 0.5201 1.0353 0.082 Uiso 0.10 1 d P L 2
Cl21 Cl -0.023(2) 0.5672(12) 0.9657(18) 0.092(9) Uiso 0.10 1 d PD J 2
Cl22 Cl 0.1210(13) 0.5582(8) 0.9837(11) 0.056(5) Uiso 0.10 1 d P J 2
C12S C 0.4295(7) 0.5073(5) 0.0049(7) 0.083(4) Uani 1 1 d D . .
H11E H 0.3793 0.5125 0.0091 0.100 Uiso 0.50 1 calc PR M 1
C11S C 0.3549(13) 0.5153(7) 0.0081(11) 0.072(6) Uani 0.50 1 d PD N 2
H11B H 0.3292 0.4959 -0.0221 0.109 Uiso 0.50 1 calc PR N 2
H11C H 0.3450 0.5460 -0.0030 0.109 Uiso 0.50 1 calc PR N 2
H11D H 0.3385 0.5094 0.0515 0.109 Uiso 0.50 1 calc PR N 2
C13S C 0.4793(8) 0.5318(4) 0.0435(6) 0.081(4) Uani 1 1 d . N .
H13B H 0.4630 0.5536 0.0724 0.097 Uiso 1 1 calc R . .
C14S C 0.5481(8) 0.5233(4) 0.0377(7) 0.085(4) Uani 1 1 d . . .
H14B H 0.5825 0.5386 0.0635 0.102 Uiso 1 1 calc R N .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -0.0483 2.7339 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 '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
N12 Ag1 N13 97.6(2) 4_565 .
N12 Ag1 P1 138.94(18) 4_565 .
N13 Ag1 P1 111.40(18) . .
N12 Ag1 N11 98.4(2) 4_565 .
N13 Ag1 N11 97.9(2) . .
P1 Ag1 N11 105.38(16) . .
N16 Ag2 N15 102.6(2) 4_566 .
N16 Ag2 N14 90.5(2) 4_566 1_455
N15 Ag2 N14 89.9(2) . 1_455
N16 Ag2 P2 120.10(18) 4_566 .
N15 Ag2 P2 118.16(17) . .
N14 Ag2 P2 128.53(18) 1_455 .
C2C Mo1 C1C 88.5(3) . .
C2C Mo1 C11 84.6(3) . .
C1C Mo1 C11 96.2(4) . .
C2C Mo1 C15 82.5(3) . .
C1C Mo1 C15 132.0(4) . .
C11 Mo1 C15 36.1(4) . .
C2C Mo1 C12 118.3(3) . .
C1C Mo1 C12 85.0(4) . .
C11 Mo1 C12 35.9(3) . .
C15 Mo1 C12 59.4(4) . .
C2C Mo1 C14 114.6(3) . .
C1C Mo1 C14 142.4(3) . .
C11 Mo1 C14 59.6(3) . .
C15 Mo1 C14 36.0(3) . .
C12 Mo1 C14 58.3(3) . .
C2C Mo1 C13 140.0(3) . .
C1C Mo1 C13 109.7(3) . .
C11 Mo1 C13 58.9(3) . .
C15 Mo1 C13 58.6(3) . .
C12 Mo1 C13 34.8(3) . .
C14 Mo1 C13 34.3(3) . .
C2C Mo1 P1 93.1(2) . .
C1C Mo1 P1 124.9(3) . .
C11 Mo1 P1 138.8(3) . .
C15 Mo1 P1 102.7(3) . .
C12 Mo1 P1 138.5(2) . .
C14 Mo1 P1 84.9(2) . .
C13 Mo1 P1 103.7(2) . .
C2C Mo1 P2 77.8(2) . .
C1C Mo1 P2 77.3(3) . .
C11 Mo1 P2 161.4(2) . .
C15 Mo1 P2 144.2(3) . .
C12 Mo1 P2 156.0(3) . .
C14 Mo1 P2 134.2(2) . .
C13 Mo1 P2 139.7(2) . .
P1 Mo1 P2 49.58(6) . .
C2C Mo1 Mo2 128.8(2) . .
C1C Mo1 Mo2 84.3(2) . .
C11 Mo1 Mo2 146.5(2) . .
C15 Mo1 Mo2 136.1(2) . .
C12 Mo1 Mo2 111.5(3) . .
C14 Mo1 Mo2 100.7(2) . .
C13 Mo1 Mo2 89.3(2) . .
P1 Mo1 Mo2 53.20(5) . .
P2 Mo1 Mo2 51.18(4) . .
C3C Mo2 C4C 88.0(5) . .
C3C Mo2 C25 87.1(4) . .
C4C Mo2 C25 96.9(3) . .
C3C Mo2 C21 86.0(5) . .
C4C Mo2 C21 132.9(4) . .
C25 Mo2 C21 36.2(4) . .
C3C Mo2 C23 119.7(4) . .
C4C Mo2 C23 84.6(4) . .
C25 Mo2 C23 35.3(4) . .
C21 Mo2 C23 59.0(4) . .
C3C Mo2 C22 117.4(5) . .
C4C Mo2 C22 141.4(4) . .
C25 Mo2 C22 59.1(3) . .
C21 Mo2 C22 35.2(4) . .
C23 Mo2 C22 58.1(4) . .
C3C Mo2 C24 143.3(4) . .
C4C Mo2 C24 107.9(4) . .
C25 Mo2 C24 58.8(4) . .
C21 Mo2 C24 58.7(4) . .
C23 Mo2 C24 34.9(3) . .
C22 Mo2 C24 34.9(4) . .
C3C Mo2 P2 88.8(3) . .
C4C Mo2 P2 123.1(3) . .
C25 Mo2 P2 139.6(3) . .
C21 Mo2 P2 103.4(3) . .
C23 Mo2 P2 142.4(2) . .
C22 Mo2 P2 88.0(2) . .
C24 Mo2 P2 107.8(2) . .
C3C Mo2 P1 76.1(3) . .
C4C Mo2 P1 74.7(3) . .
C25 Mo2 P1 161.3(3) . .
C21 Mo2 P1 147.0(3) . .
C23 Mo2 P1 153.8(3) . .
C22 Mo2 P1 136.5(2) . .
C24 Mo2 P1 139.4(2) . .
P2 Mo2 P1 49.57(6) . .
C3C Mo2 Mo1 126.2(3) . .
C4C Mo2 Mo1 84.6(2) . .
C25 Mo2 Mo1 146.6(3) . .
C21 Mo2 Mo1 134.4(3) . .
C23 Mo2 Mo1 112.5(3) . .
C22 Mo2 Mo1 99.9(3) . .
C24 Mo2 Mo1 88.9(2) . .
P2 Mo2 Mo1 53.63(5) . .
P1 Mo2 Mo1 50.61(4) . .
P2 P1 Ag1 137.86(10) . .
P2 P1 Mo1 68.04(7) . .
Ag1 P1 Mo1 137.92(9) . .
P2 P1 Mo2 63.80(7) . .
Ag1 P1 Mo2 139.97(8) . .
Mo1 P1 Mo2 76.19(5) . .
P1 P2 Ag2 113.57(10) . .
P1 P2 Mo2 66.63(7) . .
Ag2 P2 Mo2 145.03(8) . .
P1 P2 Mo1 62.38(7) . .
Ag2 P2 Mo1 137.94(8) . .
Mo2 P2 Mo1 75.18(5) . .
O1C C1C Mo1 176.5(8) . .
O2C C2C Mo1 174.9(7) . .
O3CA C3C O3C 33.2(12) . .
O3CA C3C Mo2 163.1(17) . .
O3C C3C Mo2 163.2(14) . .
O4C C4C Mo2 179.1(9) . .
O3CA O3C C3C 70(4) . .
O3C O3CA C3C 77(4) . .
C12 C11 C15 107.6(8) . .
C12 C11 Mo1 73.5(5) . .
C15 C11 Mo1 72.6(5) . .
C12 C11 H11A 126.0 . .
C15 C11 H11A 126.0 . .
Mo1 C11 H11A 126.0 . .
C13 C12 C11 108.2(8) . .
C13 C12 Mo1 74.3(4) . .
C11 C12 Mo1 70.6(5) . .
C13 C12 H12A 125.7 . .
C11 C12 H12A 125.7 . .
Mo1 C12 H12A 125.7 . .
C14 C13 C12 108.9(8) . .
C14 C13 Mo1 71.7(4) . .
C12 C13 Mo1 70.9(5) . .
C14 C13 H13A 125.5 . .
C12 C13 H13A 125.5 . .
Mo1 C13 H13A 125.5 . .
C13 C14 C15 108.3(8) . .
C13 C14 Mo1 74.0(5) . .
C15 C14 Mo1 70.6(5) . .
C13 C14 H14A 125.7 . .
C15 C14 H14A 125.7 . .
Mo1 C14 H14A 125.7 . .
C11 C15 C14 107.0(8) . .
C11 C15 Mo1 71.3(5) . .
C14 C15 Mo1 73.4(5) . .
C11 C15 H15A 126.3 . .
C14 C15 H15A 126.3 . .
Mo1 C15 H15A 126.3 . .
C22 C21 C25 107.7(10) . .
C22 C21 Mo2 74.3(5) . .
C25 C21 Mo2 71.5(5) . .
C22 C21 H21A 125.9 . .
C25 C21 H21A 125.9 . .
Mo2 C21 H21A 125.9 . .
C21 C22 C24 108.4(9) . .
C21 C22 Mo2 70.4(5) . .
C24 C22 Mo2 73.2(5) . .
C21 C22 H22A 125.7 . .
C24 C22 H22A 125.7 . .
Mo2 C22 H22A 125.7 . .
C25 C23 C24 109.3(9) . .
C25 C23 Mo2 71.1(5) . .
C24 C23 Mo2 74.3(5) . .
C25 C23 H23A 125.2 . .
C24 C23 H23A 125.2 . .
Mo2 C23 H23A 125.2 . .
C23 C24 C22 107.3(9) . .
C23 C24 Mo2 70.8(5) . .
C22 C24 Mo2 71.9(5) . .
C23 C24 H24A 126.2 . .
C22 C24 H24A 126.2 . .
Mo2 C24 H24A 126.2 . .
C23 C25 C21 107.3(9) . .
C23 C25 Mo2 73.6(5) . .
C21 C25 Mo2 72.3(5) . .
C23 C25 H25A 126.1 . .
C21 C25 H25A 126.1 . .
Mo2 C25 H25A 126.1 . .
C31 N11 C35 116.2(7) . .
C31 N11 Ag1 114.6(5) . .
C35 N11 Ag1 127.4(5) . .
C42 N12 C44 116.9(8) . .
C42 N12 Ag1 126.2(6) . 4_566
C44 N12 Ag1 116.4(5) . 4_566
C48 N13 C46 117.0(7) . .
C48 N13 Ag1 122.0(5) . .
C46 N13 Ag1 119.7(5) . .
C55 N14 C57 115.7(7) . .
C55 N14 Ag2 119.3(5) . 1_655
C57 N14 Ag2 125.0(6) . 1_655
C62 N15 C58 115.8(7) . .
C62 N15 Ag2 120.5(5) . .
C58 N15 Ag2 123.7(6) . .
C68 N16 C67 116.3(7) . .
C68 N16 Ag2 126.4(6) . 4_565
C67 N16 Ag2 116.6(5) . 4_565
N11 C31 C32 123.8(7) . .
N11 C31 H31A 118.1 . .
C32 C31 H31A 118.1 . .
C31 C32 C37 120.1(7) . .
C31 C32 H32A 119.9 . .
C37 C32 H32A 119.9 . .
N11 C35 C36 123.9(7) . .
N11 C35 H35A 118.1 . .
C36 C35 H35A 118.1 . .
C35 C36 C37 118.7(8) . .
C35 C36 H36A 120.7 . .
C37 C36 H36A 120.7 . .
C32 C37 C36 117.3(7) . .
C32 C37 C38 119.8(7) . .
C36 C37 C38 122.9(7) . .
C39 C38 C37 127.8(7) . .
C39 C38 H38A 116.1 . .
C37 C38 H38A 116.1 . .
C38 C39 C40 123.7(7) . .
C38 C39 H39A 118.1 . .
C40 C39 H39A 118.1 . .
C43 C40 C41 115.7(8) . .
C43 C40 C39 122.6(8) . .
C41 C40 C39 121.7(7) . .
C42 C41 C40 119.9(8) . .
C42 C41 H41A 120.0 . .
C40 C41 H41A 120.0 . .
N12 C42 C41 123.9(9) . .
N12 C42 H42A 118.0 . .
C41 C42 H42A 118.0 . .
C40 C43 C44 121.7(9) . .
C40 C43 H43A 119.1 . .
C44 C43 H43A 119.1 . .
N12 C44 C43 121.7(8) . .
N12 C44 H44A 119.1 . .
C43 C44 H44A 119.1 . .
N13 C46 C47 124.0(7) . .
N13 C46 H46A 118.0 . .
C47 C46 H46A 118.0 . .
C46 C47 C50 119.8(7) . .
C46 C47 H47A 120.1 . .
C50 C47 H47A 120.1 . .
N13 C48 C49 122.8(7) . .
N13 C48 H48A 118.6 . .
C49 C48 H48A 118.6 . .
C50 C49 C48 120.0(7) . .
C50 C49 H49A 120.0 . .
C48 C49 H49A 120.0 . .
C47 C50 C49 116.4(7) . .
C47 C50 C51 124.4(7) . .
C49 C50 C51 119.2(7) . .
C52 C51 C50 125.3(7) . .
C52 C51 H51A 117.4 . .
C50 C51 H51A 117.4 . .
C51 C52 C53 126.1(8) . .
C51 C52 H52A 116.9 . .
C53 C52 H52A 116.9 . .
C56 C53 C54 115.9(8) . .
C56 C53 C52 120.2(7) . .
C54 C53 C52 123.8(8) . .
C55 C54 C53 119.8(8) . .
C55 C54 H54A 120.1 . .
C53 C54 H54A 120.1 . .
N14 C55 C54 124.6(8) . .
N14 C55 H55A 117.7 . .
C54 C55 H55A 117.7 . .
C53 C56 C57 120.2(8) . .
C53 C56 H56A 119.9 . .
C57 C56 H56A 119.9 . .
N14 C57 C56 123.9(8) . .
N14 C57 H57A 118.1 . .
C56 C57 H57A 118.1 . .
N15 C58 C59 123.5(9) . .
N15 C58 H58A 118.2 . .
C59 C58 H58A 118.2 . .
C70 C59 C58 120.6(9) . .
C70 C59 H59A 119.7 . .
C58 C59 H59A 119.7 . .
C62 C61 C70 119.5(8) . .
C62 C61 H61A 120.3 . .
C70 C61 H61A 120.3 . .
N15 C62 C61 124.6(8) . .
N15 C62 H62A 117.7 . .
C61 C62 H62A 117.7 . .
C64 C63 C70 123.3(9) . .
C64 C63 H63A 118.4 . .
C70 C63 H63A 118.4 . .
C63 C64 C65 127.4(9) . .
C63 C64 H64A 116.3 . .
C65 C64 H64A 116.3 . .
C66 C65 C69 116.1(8) . .
C66 C65 C64 118.5(8) . .
C69 C65 C64 125.3(8) . .
C67 C66 C65 119.6(8) . .
C67 C66 H66A 120.2 . .
C65 C66 H66A 120.2 . .
N16 C67 C66 124.0(8) . .
N16 C67 H67A 118.0 . .
C66 C67 H67A 118.0 . .
N16 C68 C69 124.1(8) . .
N16 C68 H68A 117.9 . .
C69 C68 H68A 117.9 . .
C68 C69 C65 119.8(8) . .
C68 C69 H69A 120.1 . .
C65 C69 H69A 120.1 . .
C59 C70 C61 116.0(8) . .
C59 C70 C63 121.0(8) . .
C61 C70 C63 123.0(8) . .
O1 Al1 O4 110.4(3) . .
O1 Al1 O2 113.8(3) . .
O4 Al1 O2 107.7(3) . .
O1 Al1 O3 106.8(3) . .
O4 Al1 O3 111.8(3) . .
O2 Al1 O3 106.4(3) . .
C1T O1 Al1 145.5(6) . .
C2T O2 Al1 148.3(5) . .
C3T O3 Al1 148.4(7) . .
C4T O4 Al1 147.7(5) . .
O1 C1T C103 104.8(8) . .
O1 C1T C101 113.1(8) . .
C103 C1T C101 108.8(7) . .
O1 C1T C102 113.0(7) . .
C103 C1T C102 108.9(9) . .
C101 C1T C102 108.2(8) . .
O2 C2T C205 110.3(11) . .
O2 C2T C202 109.7(9) . .
C205 C2T C202 86.7(13) . .
O2 C2T C206 111.7(8) . .
C205 C2T C206 107.3(13) . .
C202 C2T C206 127.4(10) . .
O2 C2T C203 111.7(8) . .
C205 C2T C203 124.3(13) . .
C202 C2T C203 110.9(10) . .
C206 C2T C203 21.7(8) . .
O2 C2T C204 108.5(10) . .
C205 C2T C204 109.2(14) . .
C202 C2T C204 24.3(8) . .
C206 C2T C204 109.8(11) . .
C203 C2T C204 90.1(11) . .
O2 C2T C201 109.5(8) . .
C205 C2T C201 21.8(10) . .
C202 C2T C201 107.0(11) . .
C206 C2T C201 88.2(10) . .
C203 C2T C201 107.8(10) . .
C204 C2T C201 127.3(11) . .
O3 C3T C303 113.7(8) . .
O3 C3T C301 105.3(9) . .
C303 C3T C301 107.2(11) . .
O3 C3T C302 110.5(8) . .
C303 C3T C302 109.4(10) . .
C301 C3T C302 110.6(9) . .
O4 C4T C402 112.3(8) . .
O4 C4T C401 108.2(7) . .
C402 C4T C401 109.0(9) . .
O4 C4T C403 110.2(8) . .
C402 C4T C403 109.6(8) . .
C401 C4T C403 107.5(9) . .
F11C C101 F11B 107.2(7) . .
F11C C101 F11A 108.2(8) . .
F11B C101 F11A 107.2(8) . .
F11C C101 C1T 114.0(8) . .
F11B C101 C1T 109.4(8) . .
F11A C101 C1T 110.6(7) . .
F12B C102 F12C 109.4(11) . .
F12B C102 F12A 109.6(12) . .
F12C C102 F12A 107.0(10) . .
F12B C102 C1T 113.1(9) . .
F12C C102 C1T 109.7(11) . .
F12A C102 C1T 107.7(9) . .
F13C C103 F13A 107.3(9) . .
F13C C103 F13B 106.4(11) . .
F13A C103 F13B 105.9(9) . .
F13C C103 C1T 113.0(9) . .
F13A C103 C1T 112.5(10) . .
F13B C103 C1T 111.3(9) . .
C203 F23C C206 24.6(9) . .
F21A C201 F21C 115.9(16) . .
F21A C201 F21B 114.8(16) . .
F21C C201 F21B 104.6(16) . .
F21A C201 C2T 110.4(13) . .
F21C C201 C2T 106.3(13) . .
F21B C201 C2T 103.8(14) . .
F22B C202 F22C 113.8(15) . .
F22B C202 F22A 103.6(15) . .
F22C C202 F22A 99.7(16) . .
F22B C202 C2T 115.0(14) . .
F22C C202 C2T 114.3(15) . .
F22A C202 C2T 108.5(13) . .
F23A C203 F23B 108.8(12) . .
F23A C203 F23C 105.9(12) . .
F23B C203 F23C 107.2(11) . .
F23A C203 C2T 110.6(12) . .
F23B C203 C2T 110.3(11) . .
F23C C203 C2T 113.8(10) . .
F24C C204 F24A 113(2) . .
F24C C204 F24B 116(2) . .
F24A C204 F24B 105.2(19) . .
F24C C204 C2T 108.4(17) . .
F24A C204 C2T 108.8(17) . .
F24B C204 C2T 105.0(17) . .
F25C C205 F25B 103(2) . .
F25C C205 F25A 110(2) . .
F25B C205 F25A 98.2(19) . .
F25C C205 C2T 121(2) . .
F25B C205 C2T 113.3(18) . .
F25A C205 C2T 109(2) . .
F26A C206 F23C 104.8(16) . .
F26A C206 F26B 114.7(19) . .
F23C C206 F26B 103.8(16) . .
F26A C206 C2T 110.6(16) . .
F23C C206 C2T 113.0(13) . .
F26B C206 C2T 109.8(16) . .
F31A C301 F31B 105.8(12) . .
F31A C301 F31C 106.8(10) . .
F31B C301 F31C 104.2(11) . .
F31A C301 C3T 112.2(11) . .
F31B C301 C3T 114.2(10) . .
F31C C301 C3T 113.0(11) . .
F32A C302 F32C 109.2(10) . .
F32A C302 F32B 107.6(10) . .
F32C C302 F32B 103.6(9) . .
F32A C302 C3T 112.8(10) . .
F32C C302 C3T 113.2(9) . .
F32B C302 C3T 109.8(10) . .
F33A C303 F33F 84.8(19) . .
F33A C303 F33E 90.0(19) . .
F33F C303 F33E 111(2) . .
F33A C303 F33C 112.9(15) . .
F33F C303 F33C 110(2) . .
F33E C303 F33C 22.9(15) . .
F33A C303 F33B 108.7(16) . .
F33F C303 F33B 23.9(15) . .
F33E C303 F33B 111(2) . .
F33C C303 F33B 100.6(15) . .
F33A C303 C3T 118.7(16) . .
F33F C303 C3T 121.8(17) . .
F33E C303 C3T 120.4(17) . .
F33C C303 C3T 107.5(15) . .
F33B C303 C3T 106.8(13) . .
F33A C303 F33D 19.2(14) . .
F33F C303 F33D 95(2) . .
F33E C303 F33D 101.3(18) . .
F33C C303 F33D 123.7(14) . .
F33B C303 F33D 117.6(15) . .
C3T C303 F33D 99.5(13) . .
F41A C401 F41B 108.4(10) . .
F41A C401 F41C 106.7(10) . .
F41B C401 F41C 107.9(10) . .
F41A C401 C4T 110.5(10) . .
F41B C401 C4T 110.4(10) . .
F41C C401 C4T 112.7(9) . .
F42C C402 F42A 109.7(9) . .
F42C C402 F42B 104.3(10) . .
F42A C402 F42B 107.1(9) . .
F42C C402 C4T 111.2(8) . .
F42A C402 C4T 113.3(10) . .
F42B C402 C4T 110.8(9) . .
F43B C403 F43C 110.4(11) . .
F43B C403 F43A 107.5(9) . .
F43C C403 F43A 106.2(9) . .
F43B C403 C4T 112.0(9) . .
F43C C403 C4T 111.5(9) . .
F43A C403 C4T 108.9(10) . .
O7TA Al2 O8 137.1(13) . .
O7TA Al2 O5 107.5(12) . .
O8 Al2 O5 110.7(5) . .
O7TA Al2 O6 70.2(13) . .
O8 Al2 O6 110.9(5) . .
O5 Al2 O6 112.5(5) . .
O7TA Al2 O7 40.4(13) . .
O8 Al2 O7 105.9(4) . .
O5 Al2 O7 110.9(4) . .
O6 Al2 O7 105.7(4) . .
C5T O5 Al2 156.7(11) . .
C8T O8 Al2 163.2(9) . .
O5 C5T C502 110.6(11) . .
O5 C5T C506 121(2) . .
C502 C5T C506 128(2) . .
O5 C5T C501 109.1(12) . .
C502 C5T C501 112.9(14) . .
C506 C5T C501 48(2) . .
O5 C5T C505 130(3) . .
C502 C5T C505 35(3) . .
C506 C5T C505 104(4) . .
C501 C5T C505 118(2) . .
O5 C5T C504 99(2) . .
C502 C5T C504 60(2) . .
C506 C5T C504 106(3) . .
C501 C5T C504 62(2) . .
C505 C5T C504 89(3) . .
O5 C5T C503 103.3(12) . .
C502 C5T C503 117.3(13) . .
C506 C5T C503 56(2) . .
C501 C5T C503 102.9(12) . .
C505 C5T C503 83(2) . .
C504 C5T C503 157(2) . .
O6 C6T C603 113.0(12) . .
O6 C6T C604 98.0(12) . .
C603 C6T C604 149.0(14) . .
O6 C6T C602 109.9(13) . .
C603 C6T C602 111.8(16) . .
C604 C6T C602 53.6(13) . .
O6 C6T C606 115.2(16) . .
C603 C6T C606 58.2(17) . .
C604 C6T C606 109.5(18) . .
C602 C6T C606 133.8(18) . .
O6 C6T C601 109.8(13) . .
C603 C6T C601 108.1(18) . .
C604 C6T C601 58.7(18) . .
C602 C6T C601 104(2) . .
C606 C6T C601 52.0(19) . .
O6 C6T C605 104.6(16) . .
C603 C6T C605 47.5(16) . .
C604 C6T C605 125.6(17) . .
C602 C6T C605 72.2(17) . .
C606 C6T C605 104.4(19) . .
C601 C6T C605 144.4(17) . .
O8 C8T C802 116.4(11) . .
O8 C8T C803 112.0(14) . .
C802 C8T C803 109.1(14) . .
O8 C8T C801 111.7(14) . .
C802 C8T C801 103.5(13) . .
C803 C8T C801 103.0(14) . .
F51D C501 F51A 91(2) . .
F51D C501 F51B 125(2) . .
F51A C501 F51B 110.1(18) . .
F51D C501 F51F 111(2) . .
F51A C501 F51F 123(2) . .
F51B C501 F51F 16.7(15) . .
F51D C501 F51C 28.3(16) . .
F51A C501 F51C 118.1(18) . .
F51B C501 F51C 103.8(15) . .
F51F C501 F51C 87.6(18) . .
F51D C501 F51E 105(2) . .
F51A C501 F51E 21.0(16) . .
F51B C501 F51E 89(2) . .
F51F C501 F51E 103(2) . .
F51C C501 F51E 127(2) . .
F51D C501 C5T 111(2) . .
F51A C501 C5T 107.2(16) . .
F51B C501 C5T 109.8(15) . .
F51F C501 C5T 112(2) . .
F51C C501 C5T 107.7(15) . .
F51E C501 C5T 115(2) . .
F51E F51A C501 91(5) . .
F51D F51C C501 66(3) . .
F51C F51D C501 86(4) . .
F51A F51E C501 68(5) . .
F52C C502 F52A 112.7(16) . .
F52C C502 F52B 112.9(15) . .
F52A C502 F52B 105.9(15) . .
F52C C502 C5T 111.5(16) . .
F52A C502 C5T 108.7(15) . .
F52B C502 C5T 104.6(14) . .
F53B C503 F53A 108.7(16) . .
F53B C503 F53C 106.5(15) . .
F53A C503 F53C 106.3(15) . .
F53B C503 C5T 111.0(14) . .
F53A C503 C5T 116.9(15) . .
F53C C503 C5T 106.8(14) . .
F54C C504 F54A 100(4) . .
F54C C504 C5T 133(4) . .
F54A C504 C5T 99(3) . .
F54C C504 F54B 102(3) . .
F54A C504 F54B 94(3) . .
C5T C504 F54B 119(4) . .
F55C C505 F55A 105(4) . .
F55C C505 F55B 102(2) . .
F55A C505 F55B 101(4) . .
F55C C505 C5T 115(4) . .
F55A C505 C5T 120(3) . .
F55B C505 C5T 112(4) . .
F56C C506 F56B 125(4) . .
F56C C506 F56A 109(4) . .
F56B C506 F56A 105(4) . .
F56C C506 C5T 102(3) . .
F56B C506 C5T 106(3) . .
F56A C506 C5T 109(3) . .
C6T O6 Al2 149.9(9) . .
F61B C601 F61C 104(2) . .
F61B C601 F61A 103.7(17) . .
F61C C601 F61A 104(2) . .
F61B C601 C6T 115(2) . .
F61C C601 C6T 117.6(16) . .
F61A C601 C6T 111(2) . .
F62C C602 F62B 106.4(17) . .
F62C C602 F62A 100.8(18) . .
F62B C602 F62A 102.4(18) . .
F62C C602 C6T 120.5(19) . .
F62B C602 C6T 117.8(18) . .
F62A C602 C6T 106.0(17) . .
F63B C603 F63A 120(2) . .
F63B C603 C6T 111.3(18) . .
F63A C603 C6T 113.7(13) . .
F63B C603 F63C 106.6(15) . .
F63A C603 F63C 94.6(18) . .
C6T C603 F63C 108.0(18) . .
F64B C604 F64A 109.8(17) . .
F64B C604 F64C 110.3(15) . .
F64A C604 F64C 107.4(15) . .
F64B C604 C6T 105(2) . .
F64A C604 C6T 99.3(18) . .
F64C C604 C6T 124(2) . .
F65C C605 F65B 103(2) . .
F65C C605 F65A 103(2) . .
F65B C605 F65A 102(2) . .
F65C C605 C6T 117(2) . .
F65B C605 C6T 120(2) . .
F65A C605 C6T 109(2) . .
F66C C606 F66B 114(2) . .
F66C C606 F66A 108(2) . .
F66B C606 F66A 103(2) . .
F66C C606 C6T 118(2) . .
F66B C606 C6T 109(2) . .
F66A C606 C6T 103(2) . .
C7T O7 Al2 154.9(8) . .
O7 C7T C703 110.5(10) . .
O7 C7T C701 107.5(9) . .
C703 C7T C701 104.8(9) . .
O7 C7T C702 113.5(9) . .
C703 C7T C702 110.4(9) . .
C701 C7T C702 109.7(10) . .
F71C C701 F71A 110.1(12) . .
F71C C701 F71B 107.9(12) . .
F71A C701 F71B 107.8(12) . .
F71C C701 C7T 108.5(12) . .
F71A C701 C7T 111.9(11) . .
F71B C701 C7T 110.5(13) . .
F72B C702 F72A 109.4(11) . .
F72B C702 F72C 109.6(11) . .
F72A C702 F72C 109.3(11) . .
F72B C702 C7T 111.4(11) . .
F72A C702 C7T 106.8(10) . .
F72C C702 C7T 110.3(11) . .
F73A C703 F73C 106.3(11) . .
F73A C703 F73B 110.1(12) . .
F73C C703 F73B 109.2(12) . .
F73A C703 C7T 111.2(12) . .
F73C C703 C7T 112.3(12) . .
F73B C703 C7T 107.7(12) . .
C7TA O7TA Al2 148(3) . .
O7TA C7TA C705 106(3) . .
O7TA C7TA C704 85(3) . .
C705 C7TA C704 143(4) . .
O7TA C7TA C706 118(4) . .
C705 C7TA C706 107(3) . .
C704 C7TA C706 97(3) . .
F74B C704 F74C 97(2) . .
F74B C704 F74A 95.8(15) . .
F74C C704 F74A 96.5(19) . .
F74B C704 C7TA 146(4) . .
F74C C704 C7TA 99(4) . .
F74A C704 C7TA 112(3) . .
F75C C705 F75B 99(2) . .
F75C C705 F75A 98.2(19) . .
F75B C705 F75A 96.0(19) . .
F75C C705 C7TA 124(4) . .
F75B C705 C7TA 119(4) . .
F75A C705 C7TA 116(4) . .
F76C C706 F76A 103(2) . .
F76C C706 F76B 102(2) . .
F76A C706 F76B 102(2) . .
F76C C706 C7TA 121(4) . .
F76A C706 C7TA 107(4) . .
F76B C706 C7TA 118(3) . .
F81B C801 F81C 114(2) . .
F81B C801 F81A 107.0(19) . .
F81C C801 F81A 93.2(16) . .
F81B C801 C8T 125(2) . .
F81C C801 C8T 108.6(17) . .
F81A C801 C8T 103.3(16) . .
F82B C802 F82C 110.7(16) . .
F82B C802 F82A 118.0(17) . .
F82C C802 F82A 106.9(16) . .
F82B C802 C8T 108.8(16) . .
F82C C802 C8T 107.0(16) . .
F82A C802 C8T 104.8(14) . .
F83C C803 F83B 116(2) . .
F83C C803 F83A 102.6(18) . .
F83B C803 F83A 101.2(18) . .
F83C C803 C8T 111.1(19) . .
F83B C803 C8T 119(2) . .
F83A C803 C8T 104.6(16) . .
Cl12 C1SA Cl11 118(2) . .
Cl12 C1SA H1SA 107.7 . .
Cl11 C1SA H1SA 107.7 . .
Cl12 C1SA H1SB 107.7 . .
Cl11 C1SA H1SB 107.7 . .
H1SA C1SA H1SB 107.1 . .
Cl13 C1S Cl14 104(3) . .
Cl13 C1S H1SC 110.9 . .
Cl14 C1S H1SC 110.9 . .
Cl13 C1S H1SD 110.9 . .
Cl14 C1S H1SD 110.9 . .
H1SC C1S H1SD 109.0 . .
Cl21 C2S Cl23 41.6(19) . .
Cl21 C2S Cl24 65(2) . .
Cl23 C2S Cl24 100(2) . .
Cl21 C2S Cl22 101(3) . .
Cl23 C2S Cl22 120(3) . .
Cl24 C2S Cl22 39.8(17) . .
Cl21 C2S H2SA 145.9 . .
Cl23 C2S H2SA 110.2 . .
Cl24 C2S H2SA 115.7 . .
Cl22 C2S H2SA 76.2 . .
Cl21 C2S H2SB 101.6 . .
Cl23 C2S H2SB 109.1 . .
Cl24 C2S H2SB 114.1 . .
Cl22 C2S H2SB 125.6 . .
H2SA C2S H2SB 107.6 . .
Cl21 C2S H2SC 109.5 . .
Cl23 C2S H2SC 68.0 . .
Cl24 C2S H2SC 142.0 . .
Cl22 C2S H2SC 114.1 . .
H2SA C2S H2SC 46.7 . .
H2SB C2S H2SC 103.8 . .
Cl21 C2S H2SD 111.6 . .
Cl23 C2S H2SD 121.3 . .
Cl24 C2S H2SD 110.7 . .
Cl22 C2S H2SD 115.0 . .
H2SA C2S H2SD 99.9 . .
H2SB C2S H2SD 12.3 . .
H2SC C2S H2SD 105.9 . .
C2S Cl23 H2SC 33.7 . .
C14S C12S C11S 117.4(18) 3_665 .
C14S C12S C13S 121.8(13) 3_665 .
C11S C12S C13S 120.7(18) . .
C14S C12S H11E 119.1 3_665 .
C11S C12S H11E 2.6 . .
C13S C12S H11E 119.1 . .
C12S C11S H11B 109.5 . .
C12S C11S H11C 109.5 . .
H11B C11S H11C 109.5 . .
C12S C11S H11D 109.5 . .
H11B C11S H11D 109.5 . .
H11C C11S H11D 109.5 . .
C14S C13S C12S 117.8(15) . .
C14S C13S H13B 121.1 . .
C12S C13S H13B 121.1 . .
C13S C14S C12S 120.3(15) . 3_665
C13S C14S H14B 119.8 . .
C12S C14S H14B 119.8 3_665 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N12 2.283(6) 4_565
Ag1 N13 2.337(6) .
Ag1 P1 2.3849(18) .
Ag1 N11 2.406(6) .
Ag2 N16 2.337(6) 4_566
Ag2 N15 2.340(6) .
Ag2 N14 2.346(7) 1_455
Ag2 P2 2.3961(18) .
Mo1 C2C 1.987(8) .
Mo1 C1C 2.000(8) .
Mo1 C11 2.288(8) .
Mo1 C15 2.305(9) .
Mo1 C12 2.326(8) .
Mo1 C14 2.342(8) .
Mo1 C13 2.370(7) .
Mo1 P1 2.4292(17) .
Mo1 P2 2.543(2) .
Mo1 Mo2 3.0526(8) .
Mo2 C3C 1.978(9) .
Mo2 C4C 1.991(9) .
Mo2 C25 2.288(9) .
Mo2 C21 2.299(9) .
Mo2 C23 2.321(8) .
Mo2 C22 2.349(9) .
Mo2 C24 2.365(8) .
Mo2 P2 2.4603(18) .
Mo2 P1 2.5170(19) .
P1 P2 2.087(3) .
C1C O1C 1.136(10) .
C2C O2C 1.130(10) .
C3C O3CA 1.17(3) .
C3C O3C 1.22(2) .
C4C O4C 1.147(11) .
O3C O3CA 0.68(2) .
C11 C12 1.421(14) .
C11 C15 1.424(14) .
C11 H11A 1.0000 .
C12 C13 1.407(12) .
C12 H12A 1.0000 .
C13 C14 1.389(12) .
C13 H13A 1.0000 .
C14 C15 1.437(13) .
C14 H14A 1.0000 .
C15 H15A 1.0000 .
C21 C22 1.408(16) .
C21 C25 1.425(14) .
C21 H21A 1.0000 .
C22 C24 1.412(16) .
C22 H22A 1.0000 .
C23 C25 1.398(15) .
C23 C24 1.404(13) .
C23 H23A 1.0000 .
C24 H24A 1.0000 .
C25 H25A 1.0000 .
N11 C31 1.334(9) .
N11 C35 1.345(11) .
N12 C42 1.304(11) .
N12 C44 1.337(12) .
N12 Ag1 2.283(6) 4_566
N13 C48 1.322(10) .
N13 C46 1.330(11) .
N14 C55 1.331(12) .
N14 C57 1.334(11) .
N14 Ag2 2.346(7) 1_655
N15 C62 1.324(11) .
N15 C58 1.329(11) .
N16 C68 1.315(11) .
N16 C67 1.339(11) .
N16 Ag2 2.337(6) 4_565
C31 C32 1.368(11) .
C31 H31A 0.9500 .
C32 C37 1.369(11) .
C32 H32A 0.9500 .
C35 C36 1.373(11) .
C35 H35A 0.9500 .
C36 C37 1.403(11) .
C36 H36A 0.9500 .
C37 C38 1.470(10) .
C38 C39 1.316(12) .
C38 H38A 0.9500 .
C39 C40 1.483(10) .
C39 H39A 0.9500 .
C40 C43 1.350(12) .
C40 C41 1.381(12) .
C41 C42 1.376(12) .
C41 H41A 0.9500 .
C42 H42A 0.9500 .
C43 C44 1.382(13) .
C43 H43A 0.9500 .
C44 H44A 0.9500 .
C46 C47 1.367(12) .
C46 H46A 0.9500 .
C47 C50 1.381(11) .
C47 H47A 0.9500 .
C48 C49 1.387(12) .
C48 H48A 0.9500 .
C49 C50 1.386(11) .
C49 H49A 0.9500 .
C50 C51 1.439(11) .
C51 C52 1.322(12) .
C51 H51A 0.9500 .
C52 C53 1.464(11) .
C52 H52A 0.9500 .
C53 C56 1.378(12) .
C53 C54 1.401(12) .
C54 C55 1.369(13) .
C54 H54A 0.9500 .
C55 H55A 0.9500 .
C56 C57 1.385(12) .
C56 H56A 0.9500 .
C57 H57A 0.9500 .
C58 C59 1.396(13) .
C58 H58A 0.9500 .
C59 C70 1.368(14) .
C59 H59A 0.9500 .
C61 C62 1.386(12) .
C61 C70 1.395(12) .
C61 H61A 0.9500 .
C62 H62A 0.9500 .
C63 C64 1.308(13) .
C63 C70 1.462(12) .
C63 H63A 0.9500 .
C64 C65 1.456(12) .
C64 H64A 0.9500 .
C65 C66 1.389(13) .
C65 C69 1.394(13) .
C66 C67 1.381(11) .
C66 H66A 0.9500 .
C67 H67A 0.9500 .
C68 C69 1.382(12) .
C68 H68A 0.9500 .
C69 H69A 0.9500 .
Al1 O1 1.721(6) .
Al1 O4 1.721(5) .
Al1 O2 1.727(5) .
Al1 O3 1.735(7) .
O1 C1T 1.352(11) .
O2 C2T 1.343(9) .
O3 C3T 1.354(10) .
O4 C4T 1.338(10) .
C1T C103 1.546(14) .
C1T C101 1.547(11) .
C1T C102 1.572(15) .
C2T C205 1.49(3) .
C2T C202 1.511(18) .
C2T C206 1.53(2) .
C2T C203 1.530(16) .
C2T C204 1.62(2) .
C2T C201 1.630(19) .
C3T C303 1.501(17) .
C3T C301 1.528(18) .
C3T C302 1.530(12) .
C4T C402 1.538(16) .
C4T C401 1.560(12) .
C4T C403 1.567(15) .
C101 F11C 1.317(11) .
C101 F11B 1.321(12) .
C101 F11A 1.326(11) .
C102 F12B 1.297(14) .
C102 F12C 1.327(14) .
C102 F12A 1.336(15) .
C103 F13C 1.319(12) .
C103 F13A 1.339(13) .
C103 F13B 1.341(15) .
F23C C203 1.344(15) .
F23C C206 1.360(16) .
C201 F21A 1.25(2) .
C201 F21C 1.32(2) .
C201 F21B 1.38(2) .
C202 F22B 1.32(2) .
C202 F22C 1.36(2) .
C202 F22A 1.37(2) .
C203 F23A 1.33(2) .
C203 F23B 1.336(16) .
C204 F24C 1.28(3) .
C204 F24A 1.31(3) .
C204 F24B 1.42(3) .
C205 F25C 1.37(4) .
C205 F25B 1.39(3) .
C205 F25A 1.40(3) .
C206 F26A 1.358(17) .
C206 F26B 1.361(17) .
C301 F31A 1.333(13) .
C301 F31B 1.337(17) .
C301 F31C 1.362(13) .
C302 F32A 1.288(14) .
C302 F32C 1.339(12) .
C302 F32B 1.370(16) .
C303 F33A 1.24(3) .
C303 F33F 1.24(3) .
C303 F33E 1.30(3) .
C303 F33C 1.39(3) .
C303 F33B 1.45(2) .
C303 F33D 1.59(3) .
C401 F41A 1.322(14) .
C401 F41B 1.332(17) .
C401 F41C 1.340(12) .
C402 F42C 1.314(12) .
C402 F42A 1.337(12) .
C402 F42B 1.359(13) .
C403 F43B 1.273(15) .
C403 F43C 1.340(12) .
C403 F43A 1.358(14) .
Al2 O7TA 1.41(3) .
Al2 O8 1.672(7) .
Al2 O5 1.682(8) .
Al2 O6 1.736(10) .
Al2 O7 1.746(9) .
O5 C5T 1.298(15) .
O8 C8T 1.292(14) .
C5T C502 1.532(15) .
C5T C506 1.551(19) .
C5T C501 1.561(16) .
C5T C505 1.571(19) .
C5T C504 1.574(19) .
C5T C503 1.582(15) .
C6T O6 1.323(14) .
C6T C603 1.478(15) .
C6T C604 1.502(18) .
C6T C602 1.516(16) .
C6T C606 1.516(17) .
C6T C601 1.519(17) .
C6T C605 1.524(17) .
C8T C802 1.575(18) .
C8T C803 1.577(18) .
C8T C801 1.606(18) .
C501 F51D 1.30(4) .
C501 F51A 1.32(3) .
C501 F51B 1.35(3) .
C501 F51F 1.353(19) .
C501 F51C 1.42(2) .
C501 F51E 1.43(4) .
F51A F51E 0.51(4) .
F51C F51D 0.68(4) .
C502 F52C 1.28(2) .
C502 F52A 1.33(2) .
C502 F52B 1.40(2) .
C503 F53B 1.32(2) .
C503 F53A 1.32(2) .
C503 F53C 1.42(2) .
C504 F54C 1.31(5) .
C504 F54A 1.47(6) .
C504 F54B 1.60(6) .
C505 F55C 1.41(7) .
C505 F55A 1.41(2) .
C505 F55B 1.50(8) .
C506 F56C 1.16(6) .
C506 F56B 1.39(6) .
C506 F56A 1.44(6) .
C601 F61B 1.27(3) .
C601 F61C 1.41(2) .
C601 F61A 1.43(4) .
C602 F62C 1.30(3) .
C602 F62B 1.32(3) .
C602 F62A 1.43(3) .
C603 F63B 1.16(3) .
C603 F63A 1.30(2) .
C603 F63C 1.49(3) .
C604 F64B 1.336(19) .
C604 F64A 1.345(19) .
C604 F64C 1.354(14) .
C605 F65C 1.37(4) .
C605 F65B 1.37(4) .
C605 F65A 1.44(4) .
C606 F66C 1.31(4) .
C606 F66B 1.38(4) .
C606 F66A 1.50(5) .
O7 C7T 1.324(13) .
C7T C703 1.551(15) .
C7T C701 1.562(15) .
C7T C702 1.567(15) .
C701 F71C 1.304(13) .
C701 F71A 1.311(12) .
C701 F71B 1.328(13) .
C702 F72B 1.319(12) .
C702 F72A 1.328(12) .
C702 F72C 1.332(12) .
C703 F73A 1.312(13) .
C703 F73C 1.321(13) .
C703 F73B 1.322(13) .
O7TA C7TA 1.32(6) .
C7TA C705 1.556(19) .
C7TA C704 1.565(19) .
C7TA C706 1.566(18) .
C704 F74B 1.314(17) .
C704 F74C 1.317(17) .
C704 F74A 1.345(14) .
C705 F75C 1.31(2) .
C705 F75B 1.32(2) .
C705 F75A 1.335(16) .
C706 F76C 1.32(2) .
C706 F76A 1.32(2) .
C706 F76B 1.33(2) .
C801 F81B 1.11(2) .
C801 F81C 1.39(3) .
C801 F81A 1.47(3) .
C802 F82B 1.297(14) .
C802 F82C 1.328(12) .
C802 F82A 1.337(14) .
C803 F83C 1.24(2) .
C803 F83B 1.24(2) .
C803 F83A 1.43(3) .
C1SA Cl12 1.70(3) .
C1SA Cl11 1.75(3) .
C1SA H1SA 0.9900 .
C1SA H1SB 0.9900 .
C1S Cl13 1.66(5) .
C1S Cl14 1.84(5) .
C1S H1SC 0.9900 .
C1S H1SD 0.9900 .
C2S Cl21 1.64(3) .
C2S Cl23 1.76(6) .
C2S Cl24 1.85(6) .
C2S Cl22 1.87(6) .
C2S H2SA 0.9945 .
C2S H2SB 1.0117 .
C2S H2SC 0.9940 .
C2S H2SD 0.9752 .
Cl23 H2SC 1.6615 .
C12S C14S 1.36(2) 3_665
C12S C11S 1.41(2) .
C12S C13S 1.43(2) .
C12S H11E 0.9500 .
C11S H11B 0.9800 .
C11S H11C 0.9800 .
C11S H11D 0.9800 .
C13S C14S 1.309(19) .
C13S H13B 0.9500 .
C14S C12S 1.36(2) 3_665
C14S H14B 0.9500 .
