# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_PTC-374(delta)
_database_code_depnum_ccdc_archive 'CCDC 2356638'
loop_
_audit_author_name
_audit_author_address
'Yan-Ping He'
;Fujian Institute of Research on the Structure of Matter
China
;

_audit_update_record             
;
2024-05-20 deposited with the CCDC.	2024-08-07 downloaded from the CCDC.
;
_publcif_datablock.id            {b19d2ac9-75d6-4af0-b72c-bb6daa5e0c4c}
_audit_creation_date             2023-07-24
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'1.5(C88 H64 Ag P4), C138 H72 O36 Zr4, C8 H12 Ag N4'
_chemical_formula_sum            'C278 H180 Ag2.50 N4 O36 P6 Zr4'
_chemical_formula_weight         4972.62
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Zr Ag P C H O 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'
Ag Ag 0.1306 4.2820 '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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zr Zr -0.1862 2.2449 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      cubic
_space_group_IT_number           197
_space_group_name_H-M_alt        'I 2 3'
_space_group_name_Hall           'I 2 2 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'z+1/2, x+1/2, y+1/2'
'z+1/2, -x+1/2, -y+1/2'
'-z+1/2, -x+1/2, y+1/2'
'-z+1/2, x+1/2, -y+1/2'
'y+1/2, z+1/2, x+1/2'
'-y+1/2, z+1/2, -x+1/2'
'y+1/2, -z+1/2, -x+1/2'
'-y+1/2, -z+1/2, x+1/2'

_cell_length_a                   38.8066(3)
_cell_length_b                   38.8066(3)
_cell_length_c                   38.8066(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     58440.9(14)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    11914
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      47.0790
_cell_measurement_theta_min      2.2580
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.241
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.89787
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.85a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.130
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             20252
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0880
_diffrn_reflns_Laue_measured_fraction_full 0.964
_diffrn_reflns_Laue_measured_fraction_max 0.964
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            47036
_diffrn_reflns_point_group_measured_fraction_full 0.943
_diffrn_reflns_point_group_measured_fraction_max 0.943
_diffrn_reflns_theta_full        54.227
_diffrn_reflns_theta_max         54.227
_diffrn_reflns_theta_min         2.277
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -77.00  27.00   0.50    0.40    --  -46.29  92.00-116.00  208
  2  ω    -22.00  80.00   0.50    0.40    --   49.41 -92.00 130.00  204
  3  ω   -105.00 -32.00   0.50    2.00    -- -105.02  92.00-116.00  146
  4  ω     80.00  95.00   0.50    2.00    --  108.15  92.00-116.00   30
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'XtaLAB Synergy, Single source at home/near, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0054506000
_diffrn_orient_matrix_UB_12      0.0361881000
_diffrn_orient_matrix_UB_13      0.0153354000
_diffrn_orient_matrix_UB_21      0.0392928000
_diffrn_orient_matrix_UB_22      0.0052586000
_diffrn_orient_matrix_UB_23      0.0015336000
_diffrn_orient_matrix_UB_31      -0.0006058000
_diffrn_orient_matrix_UB_32      0.0154341000
_diffrn_orient_matrix_UB_33      -0.0366184000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.855
_reflns_Friedel_fraction_full    0.920
_reflns_Friedel_fraction_max     0.920
_reflns_number_gt                26378
_reflns_number_total             47036
_reflns_special_details          
;
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.85a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.85a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.85a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/1 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.564
_refine_diff_density_min         -0.384
_refine_diff_density_rms         0.068
_refine_ls_abs_structure_details 
;
 Flack x determined using 2177 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.016(7)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     850
_refine_ls_number_reflns         47036
_refine_ls_number_restraints     2066
_refine_ls_R_factor_all          0.1401
_refine_ls_R_factor_gt           0.0800
_refine_ls_restrained_S_all      1.079
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1354P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2183
_refine_ls_wR_factor_ref         0.2552
_refine_special_details          ?
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0(10)
 1(10)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 C49-C50
 0.02 with sigma of 1.8
 C45-C44 = C25-C24 = C23-C21 = C1-C2
 1.52 with sigma of 0.002
 C50-C49
 1.53 with sigma of 0.002
 C65-C65_$1
 1.53 with sigma of 0.002
 O4-C23 = O12-C45
 1.2 with sigma of 0.002
 O9-C34 = O7-C24
 1.2 with sigma of 0.002
 O10-C46
 1.2 with sigma of 0.002
 C46-C44 = C46-C36
 1.392 with sigma of 0.002
 C42-C46
 2.78 with sigma of 0.002
 C37-C44
 2.78 with sigma of 0.002
4. Rigid bond restraints
 O1, Zr1, O9, O5, O8, O6, C34, C23, C24, C22, C25, C33, O4, C21, O7, C13, C26,
 C32, C35, C20, C14, C12, C27, C31, C36, C19, C15, C10, C28, C30, C37, C46, C18,
  C16, C9, C11, C29, C38, C42, C44, O10, C17, C8, C4, C2, O3, C39, C41, C43,
 C45, Zr2, C7, C5, C3, C1, C40, O12, O11, C6, O2
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 N1, C49, C50
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C65, C57, C58, C59
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 N2, C47, C48
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C88, C87, C89
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C61, C62, C63
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C85, C94, C93, C92, C91, C90, C89
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
O2 \\sim Zr1 \\sim O9 \\sim O5 \\sim O8 \\sim O6 \\sim C34 \\sim C23 \\sim C24
\\sim C22 \\sim C25 \\sim C33 \\sim O4 \\sim C21 \\sim O7 \\sim C13 \\sim C26
\\sim C32 \\sim C35 \\sim C20 \\sim C14 \\sim C12 \\sim C27 \\sim C31 \\sim C36
\\sim C19 \\sim C15 \\sim C10 \\sim C28 \\sim C30 \\sim C37 \\sim C46 \\sim C18
\\sim C16 \\sim C9 \\sim C11 \\sim C29 \\sim C38 \\sim C42 \\sim C44 \\sim O10
\\sim C17 \\sim C8 \\sim C4 \\sim C2 \\sim O3 \\sim C39 \\sim C41 \\sim C43
\\sim C45 \\sim Zr2 \\sim C7 \\sim C5 \\sim C3 \\sim C1 \\sim C40 \\sim O12
\\sim O11 \\sim C6 \\sim O1: within 1.7A with sigma of 0.04 and sigma for
terminal atoms of 0.08 within 1.7A
C65 \\sim C57 \\sim C58 \\sim C59: within 1.7A with sigma of 0.04 and sigma for
terminal atoms of 0.08 within 1.7A
N2 \\sim C47 \\sim C48: within 1.7A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 1.7A
C61 \\sim C62 \\sim C63: within 1.7A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 1.7A
C85 \\sim C94 \\sim C93 \\sim C92 \\sim C91 \\sim C90 \\sim C89: within 1.7A
with sigma of 0.04 and sigma for terminal atoms of 0.08 within 1.7A
Uanis(C16) \\sim Ueq, Uanis(Zr1) \\sim Ueq, Uanis(O9) \\sim Ueq, Uanis(O5)
\\sim Ueq, Uanis(O8) \\sim Ueq, Uanis(O6) \\sim Ueq, Uanis(C34) \\sim Ueq,
Uanis(C23) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C22) \\sim Ueq, Uanis(C25)
\\sim Ueq, Uanis(C33) \\sim Ueq, Uanis(O4) \\sim Ueq, Uanis(C21) \\sim Ueq,
Uanis(O7) \\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C26) \\sim Ueq, Uanis(C32)
\\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C20) \\sim Ueq, Uanis(C14) \\sim Ueq,
Uanis(C12) \\sim Ueq, Uanis(C27) \\sim Ueq, Uanis(C31) \\sim Ueq, Uanis(C36)
\\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C15) \\sim Ueq, Uanis(C10) \\sim Ueq,
Uanis(C28) \\sim Ueq, Uanis(C30) \\sim Ueq, Uanis(C37) \\sim Ueq, Uanis(C46)
\\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C9) \\sim Ueq, Uanis(C11) \\sim Ueq,
Uanis(C29) \\sim Ueq, Uanis(C38) \\sim Ueq, Uanis(C42) \\sim Ueq, Uanis(C44)
\\sim Ueq, Uanis(O10) \\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C8) \\sim Ueq,
Uanis(C4) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(O3) \\sim Ueq, Uanis(C39) \\sim
Ueq, Uanis(C41) \\sim Ueq, Uanis(C43) \\sim Ueq, Uanis(C45) \\sim Ueq,
Uanis(Zr2) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C3) \\sim
Ueq, Uanis(C1) \\sim Ueq, Uanis(C40) \\sim Ueq, Uanis(O12) \\sim Ueq,
Uanis(O11) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(O2) \\sim Ueq, Uanis(O1) \\sim
Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C51) \\sim Ueq, Uanis(C55) \\sim Ueq, Uanis(C54) \\sim Ueq, Uanis(C52)
\\sim Ueq, Uanis(C56) \\sim Ueq, Uanis(C53) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C67) \\sim Ueq, Uanis(C71) \\sim Ueq, Uanis(C70) \\sim Ueq, Uanis(C68)
\\sim Ueq, Uanis(C72) \\sim Ueq, Uanis(C69) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C76) \\sim Ueq, Uanis(C78) \\sim Ueq, Uanis(C73) \\sim Ueq, Uanis(C75)
\\sim Ueq, Uanis(C77) \\sim Ueq, Uanis(C74) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C79) \\sim Ueq, Uanis(C81) \\sim Ueq, Uanis(C82) \\sim Ueq, Uanis(C84)
\\sim Ueq, Uanis(C80) \\sim Ueq, Uanis(C83) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(N1) \\sim Ueq, Uanis(C49) \\sim Ueq, Uanis(C50) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C65) \\sim Ueq, Uanis(C57) \\sim Ueq, Uanis(C58) \\sim Ueq, Uanis(C59)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N2) \\sim Ueq, Uanis(C47) \\sim Ueq, Uanis(C48) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C88) \\sim Ueq, Uanis(C87) \\sim Ueq, Uanis(C89) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C61) \\sim Ueq, Uanis(C62) \\sim Ueq, Uanis(C63) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C92) \\sim Ueq, Uanis(C91) \\sim Ueq, Uanis(C90) \\sim Ueq, Uanis(C89)
\\sim Ueq, Uanis(C93) \\sim Ueq, Uanis(C94) \\sim Ueq, Uanis(C85) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
6. Rigid body (RIGU) restrains
 O2, Zr1, O9, O5, O8, O6, C34, C23, C24, C22, C25, C33, O4, C21, O7, C13, C26,
 C32, C35, C20, C14, C12, C27, C31, C36, C19, C15, C10, C28, C30, C37, C46, C18,
  C16, C9, C11, C29, C38, C42, C44, O10, C17, C8, C4, C2, O3, C39, C41, C43,
 C45, Zr2, C7, C5, C3, C1, C40, O12, O11, C6, O1
 with sigma for 1-2 distances of 0.0002 and sigma for 1-3 distances of 0.0004
 C51, C55, C54, C52, C56, C53
 with sigma for 1-2 distances of 0.0002 and sigma for 1-3 distances of 0.0004
 C67, C71, C70, C68, C72, C69
 with sigma for 1-2 distances of 0.0002 and sigma for 1-3 distances of 0.0004
 C76, C78, C73, C75, C77, C74
 with sigma for 1-2 distances of 0.0002 and sigma for 1-3 distances of 0.0004
 C79, C81, C82, C84, C80, C83
 with sigma for 1-2 distances of 0.0002 and sigma for 1-3 distances of 0.0004
 N1, C49, C50
 with sigma for 1-2 distances of 0.0002 and sigma for 1-3 distances of 0.0004
 C65, C57, C58, C59
 with sigma for 1-2 distances of 0.0002 and sigma for 1-3 distances of 0.0004
 C88, N2, C47, C48
 with sigma for 1-2 distances of 0.0002 and sigma for 1-3 distances of 0.0004
 C88, C87, C89
 with sigma for 1-2 distances of 0.0002 and sigma for 1-3 distances of 0.0004
 C61, C62, C63
 with sigma for 1-2 distances of 0.0002 and sigma for 1-3 distances of 0.0004
 C92, C91, C90, C89, C93, C94, C85
 with sigma for 1-2 distances of 0.0002 and sigma for 1-3 distances of 0.0004
7. Others
 Fixed Sof: H50A(0.333333) H50B(0.333333) H50C(0.333333)
8.a Riding coordinates:
 C48(H48A,H48B,H48C), C50(H50A,H50B,H50C)
8.b Secondary CH2 refined with riding coordinates:
 C12(H12A,H12B), C35(H35A,H35B)
8.c Aromatic/amide H refined with riding coordinates:
 C59(H59), C64(H64), C90(H90), C89(H89), C88(H88), C91(H91), C61(H61),
 C94(H94), C63(H63), C58(H58), C72(H72), C71(H71), C70(H70), C69(H69), C68(H68),
  C93(H93), C76(H76), C77(H77), C78(H78), C73(H73), C74(H74), C62(H62),
 C28(H28), C29(H29), C30(H30), C31(H31), C26(H26), C5(H5), C6(H6), C7(H7),
 C8(H8), C3(H3), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C53(H53),
 C54(H54), C55(H55), C56(H56), C52(H52), C83(H83), C82(H82), C81(H81), C80(H80),
  C84(H84), C38(H38), C41(H41), C40(H40), C39(H39), C43(H43)
8.d Fitted hexagon refined as free rotating group:
 C90(C89,C88,C87,C92,C91), C67(C72,C71,C70,C69,C68), C76(C77,C78,C73,C74,C75),
 C53(C54,C55,C56,C51,C52), C83(C82,C81,C80,C79,C84), C38(C37,C42,C41,C40,C39)
8.e Naphthalene refined as free rotating group:
 C28(C29,C30,C31,C32,C27,C26,C25,C34,C33), C5(C6,C7,C8,C9,C4,C3,C2,C11,C10),
 C15(C16,C17,C18,C19,C14,C13,C22,C21,C20)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Ag2 Ag 0.500000 0.76242(5) 1.000000 0.0899(6) Uani 1 2 d S T P . .
Zr1 Zr 0.46264(6) 0.68071(7) 0.72089(8) 0.1406(10) Uani 1 1 d . U . . .
Ag1 Ag 0.32430(7) 0.67570(7) 0.67570(7) 0.1588(15) Uani 1 3 d S T P . .
Zr2 Zr 0.24169(6) 0.75831(6) 0.75831(6) 0.1433(16) Uani 1 3 d S TU P . .
P1 P 0.54639(11) 0.71417(13) 0.99961(15) 0.0828(14) Uani 1 1 d . . . . .
P2 P 0.49809(18) 0.80989(13) 0.95276(12) 0.0908(15) Uani 1 1 d . . . . .
O9 O 0.4236(4) 0.7034(4) 0.7478(3) 0.137(4) Uani 1 1 d D U . . .
C66 C 0.4586(5) 0.8961(5) 1.0032(5) 0.079(5) Uani 1 1 d . . . . .
O10 O 0.2938(4) 0.7590(4) 0.7650(4) 0.140(5) Uani 1 1 d D U . . .
C60 C 0.4260(6) 0.8974(5) 0.9896(5) 0.088(6) Uani 1 1 d . . . . .
C85 C 0.5326(5) 0.6797(5) 1.0276(5) 0.080(5) Uani 1 1 d . U . . .
C86 C 0.5075(5) 0.6536(5) 1.0174(5) 0.083(6) Uani 1 1 d . . . . .
C59 C 0.4150(6) 0.8733(6) 0.9674(6) 0.101(6) Uani 1 1 d . U . . .
H59 H 0.392601 0.873923 0.958898 0.121 Uiso 1 1 calc R U . . .
O3 O 0.3251(5) 0.5507(4) 0.6998(5) 0.144(5) Uani 1 1 d . U . . .
C64 C 0.4687(6) 0.9230(6) 1.0256(5) 0.098(7) Uani 1 1 d . . . . .
H64 H 0.490920 0.923294 1.034641 0.117 Uiso 1 1 calc R U . . .
O5 O 0.5059(5) 0.6509(6) 0.7008(6) 0.175(5) Uani 1 1 d . U . . .
C90 C 0.4721(4) 0.5813(3) 1.0898(3) 0.104(6) Uani 1 1 d G U . . .
H90 H 0.464240 0.565353 1.105924 0.124 Uiso 1 1 calc R U . . .
C89 C 0.4597(3) 0.5804(3) 1.0562(3) 0.099(6) Uani 1 1 d G U . . .
H89 H 0.443535 0.563917 1.049858 0.118 Uiso 1 1 calc R U . . .
C88 C 0.4715(3) 0.6042(3) 1.0322(3) 0.094(6) Uani 1 1 d G U . . .
H88 H 0.463210 0.603596 1.009702 0.113 Uiso 1 1 calc R U . . .
C87 C 0.4957(3) 0.6288(3) 1.0417(3) 0.078(5) Uani 1 1 d G U . . .
C92 C 0.5081(3) 0.6297(3) 1.0753(3) 0.087(5) Uani 1 1 d G U . . .
C91 C 0.4963(4) 0.6059(4) 1.0994(2) 0.105(6) Uani 1 1 d G U . . .
H91 H 0.504622 0.606468 1.121832 0.127 Uiso 1 1 calc R U . . .
C65 C 0.4818(2) 0.8698(5) 0.9925(5) 0.085(5) Uani 1 1 d D U . . .
C57 C 0.4707(5) 0.8462(5) 0.9685(5) 0.087(5) Uani 1 1 d . U . . .
C61 C 0.4032(6) 0.9252(5) 1.0000(7) 0.108(6) Uani 1 1 d . U . . .
H61 H 0.380547 0.925750 0.992091 0.130 Uiso 1 1 calc R U . . .
C12 C 0.3833(7) 0.5900(7) 0.7085(8) 0.164(6) Uani 1 1 d . U . . .
H12A H 0.382743 0.613930 0.715845 0.197 Uiso 1 1 calc R U . . .
H12B H 0.366728 0.587380 0.689990 0.197 Uiso 1 1 calc R U . . .
C94 C 0.5447(5) 0.6790(5) 1.0605(5) 0.082(5) Uani 1 1 d . U . . .
H94 H 0.561456 0.694787 1.067323 0.098 Uiso 1 1 calc R U . . .
C63 C 0.4463(6) 0.9484(6) 1.0339(6) 0.107(6) Uani 1 1 d . U . . .
H63 H 0.453366 0.965394 1.049313 0.128 Uiso 1 1 calc R U . . .
N1 N 0.3592(7) 0.6408(7) 0.6408(7) 0.172(13) Uani 1 3 d S TU P . .
C58 C 0.4373(5) 0.8474(6) 0.9571(5) 0.096(5) Uani 1 1 d . U . . .
H58 H 0.429454 0.830399 0.942174 0.115 Uiso 1 1 calc R U . . .
C67 C 0.5386(4) 0.8275(5) 0.9376(4) 0.119(6) Uani 1 1 d G U . . .
C72 C 0.5393(4) 0.8599(4) 0.9224(4) 0.137(7) Uani 1 1 d G U . . .
H72 H 0.519225 0.872887 0.920964 0.164 Uiso 1 1 calc R U . . .
C71 C 0.5701(5) 0.8729(4) 0.9095(5) 0.151(8) Uani 1 1 d G U . . .
H71 H 0.570526 0.894636 0.899303 0.182 Uiso 1 1 calc R U . . .
C70 C 0.6001(4) 0.8535(5) 0.9116(5) 0.166(9) Uani 1 1 d G U . . .
H70 H 0.620639 0.862242 0.902963 0.200 Uiso 1 1 calc R U . . .
C69 C 0.5994(4) 0.8211(5) 0.9268(5) 0.161(9) Uani 1 1 d G U . . .
H69 H 0.619451 0.808099 0.928286 0.193 Uiso 1 1 calc R U . . .
C68 C 0.5686(5) 0.8081(4) 0.9398(5) 0.153(9) Uani 1 1 d G U . . .
H68 H 0.568150 0.786350 0.949947 0.184 Uiso 1 1 calc R U . . .
C93 C 0.5324(6) 0.6552(6) 1.0838(6) 0.102(6) Uani 1 1 d . U . . .
H93 H 0.540503 0.656129 1.106375 0.123 Uiso 1 1 calc R U . . .
O8 O 0.4795(5) 0.6707(6) 0.7721(5) 0.171(5) Uani 1 1 d . U . . .
C47 C 0.3289(6) 0.6422(7) 0.7584(8) 0.118(8) Uani 1 1 d . U . . .
C76 C 0.6156(4) 0.7027(3) 1.0223(4) 0.122(6) Uani 1 1 d G U . . .
H76 H 0.611238 0.679197 1.020870 0.146 Uiso 1 1 calc R U . . .
C77 C 0.6483(4) 0.7143(4) 1.0313(4) 0.136(7) Uani 1 1 d G U . . .
H77 H 0.665772 0.698538 1.035906 0.163 Uiso 1 1 calc R U . . .
C78 C 0.6549(3) 0.7494(5) 1.0335(4) 0.133(7) Uani 1 1 d G U . . .
H78 H 0.676742 0.757195 1.039518 0.160 Uiso 1 1 calc R U . . .
C73 C 0.6288(4) 0.7730(3) 1.0266(4) 0.140(8) Uani 1 1 d G U . . .
H73 H 0.633179 0.796512 1.028096 0.168 Uiso 1 1 calc R U . . .
C74 C 0.5961(4) 0.7614(4) 1.0176(4) 0.121(6) Uani 1 1 d G U . . .
H74 H 0.578645 0.777172 1.013061 0.145 Uiso 1 1 calc R U . . .
C75 C 0.5895(3) 0.7263(5) 1.0155(4) 0.112(6) Uani 1 1 d G U . . .
C62 C 0.4145(6) 0.9500(7) 1.0210(6) 0.116(7) Uani 1 1 d . U . . .
H62 H 0.400250 0.968414 1.026543 0.139 Uiso 1 1 calc R U . . .
N2 N 0.3275(6) 0.6545(6) 0.7316(6) 0.133(7) Uani 1 1 d . U . . .
O11 O 0.2488(6) 0.8124(5) 0.7702(6) 0.186(7) Uani 1 1 d . U . . .
O6 O 0.4392(4) 0.6340(5) 0.7149(5) 0.157(5) Uani 1 1 d . U . . .
O1 O 0.2783(6) 0.5032(6) 0.7233(5) 0.185(7) Uani 1 1 d . U . . .
C48 C 0.3294(7) 0.6279(8) 0.7928(7) 0.157(10) Uani 1 1 d . U . . .
H48A H 0.320968 0.645492 0.808013 0.236 Uiso 1 1 d R U . . .
H48B H 0.352428 0.621582 0.799503 0.236 Uiso 1 1 d R U . . .
H48C H 0.314737 0.608042 0.794133 0.236 Uiso 1 1 d R U . . .
C28 C 0.3679(5) 0.6816(4) 0.8728(3) 0.181(9) Uani 1 1 d G U . . .
H28 H 0.380399 0.669733 0.889398 0.218 Uiso 1 1 calc R U . . .
C29 C 0.3345(5) 0.6925(4) 0.8799(4) 0.193(10) Uani 1 1 d G U . . .
H29 H 0.324652 0.687803 0.901224 0.232 Uiso 1 1 calc R U . . .
C30 C 0.3158(4) 0.7103(4) 0.8551(4) 0.167(8) Uani 1 1 d G U . . .
H30 H 0.293441 0.717527 0.859794 0.200 Uiso 1 1 calc R U . . .
C31 C 0.3305(3) 0.7173(4) 0.8231(4) 0.154(7) Uani 1 1 d G U . . .
H31 H 0.317977 0.729183 0.806539 0.185 Uiso 1 1 calc R U . . .
C32 C 0.3639(3) 0.7064(3) 0.8161(3) 0.130(5) Uani 1 1 d G U . . .
C27 C 0.3826(3) 0.6886(3) 0.8409(3) 0.154(7) Uani 1 1 d G U . . .
C26 C 0.4160(3) 0.6778(4) 0.8338(4) 0.154(7) Uani 1 1 d G U . . .
H26 H 0.428499 0.665890 0.850406 0.185 Uiso 1 1 calc R U . . .
C25 C 0.4307(3) 0.6848(4) 0.8019(4) 0.153(7) Uani 1 1 d DG U . . .
C34 C 0.4120(4) 0.7026(4) 0.7771(3) 0.152(7) Uani 1 1 d DG U . . .
C33 C 0.3786(4) 0.7134(4) 0.7842(3) 0.130(5) Uani 1 1 d G U . . .
O2 O 0.2960(7) 0.4757(7) 0.7698(8) 0.247(11) Uani 1 1 d . U . . .
C5 C 0.3919(5) 0.5436(5) 0.8279(4) 0.207(10) Uani 1 1 d G U . . .
H5 H 0.383385 0.529040 0.844944 0.249 Uiso 1 1 calc R U . . .
C6 C 0.4204(5) 0.5641(6) 0.8344(5) 0.235(12) Uani 1 1 d G U . . .
H6 H 0.431085 0.563383 0.855869 0.282 Uiso 1 1 calc R U . . .
C7 C 0.4331(4) 0.5858(5) 0.8089(6) 0.216(11) Uani 1 1 d G U . . .
H7 H 0.452224 0.599610 0.813269 0.260 Uiso 1 1 calc R U . . .
C8 C 0.4172(4) 0.5870(4) 0.7768(5) 0.197(10) Uani 1 1 d G U . . .
H8 H 0.425664 0.601494 0.759743 0.237 Uiso 1 1 calc R U . . .
C9 C 0.3886(3) 0.5664(3) 0.7703(4) 0.166(7) Uani 1 1 d G U . . .
C4 C 0.3759(4) 0.5447(3) 0.7958(4) 0.197(10) Uani 1 1 d G U . . .
C3 C 0.3474(4) 0.5241(4) 0.7893(5) 0.186(9) Uani 1 1 d G U . . .
H3 H 0.338894 0.509591 0.806329 0.224 Uiso 1 1 calc R U . . .
C2 C 0.3315(4) 0.5252(4) 0.7572(6) 0.169(8) Uani 1 1 d DG U . . .
C11 C 0.3441(5) 0.5469(5) 0.7317(4) 0.157(7) Uani 1 1 d G U . . .
C10 C 0.3727(5) 0.5675(4) 0.7382(4) 0.174(7) Uani 1 1 d G U . . .
O7 O 0.4831(6) 0.6588(7) 0.8257(6) 0.213(9) Uani 1 1 d D U . . .
C24 C 0.4665(5) 0.6687(9) 0.8016(7) 0.179(9) Uani 1 1 d D U . . .
C15 C 0.3999(5) 0.5331(6) 0.6612(6) 0.254(12) Uani 1 1 d G U . . .
H15 H 0.379600 0.534590 0.673852 0.305 Uiso 1 1 calc R U . . .
C16 C 0.4034(7) 0.5081(6) 0.6358(7) 0.283(14) Uani 1 1 d G U . . .
H16 H 0.385456 0.492862 0.631443 0.340 Uiso 1 1 calc R U . . .
C17 C 0.4338(8) 0.5059(6) 0.6169(6) 0.295(14) Uani 1 1 d G U . . .
H17 H 0.436114 0.489193 0.599910 0.354 Uiso 1 1 calc R U . . .
C18 C 0.4606(7) 0.5287(6) 0.6234(5) 0.297(14) Uani 1 1 d G U . . .
H18 H 0.480917 0.527252 0.610787 0.356 Uiso 1 1 calc R U . . .
C19 C 0.4571(4) 0.5537(5) 0.6488(4) 0.275(12) Uani 1 1 d G U . . .
C14 C 0.4268(4) 0.5559(4) 0.6677(4) 0.235(11) Uani 1 1 d G U . . .
C13 C 0.4232(5) 0.5809(5) 0.6931(5) 0.196(7) Uani 1 1 d G U . . .
C22 C 0.4501(7) 0.6037(5) 0.6997(5) 0.196(8) Uani 1 1 d G U . . .
C21 C 0.4804(6) 0.6015(5) 0.6808(7) 0.235(10) Uani 1 1 d DG U . . .
C20 C 0.4839(4) 0.5765(6) 0.6554(6) 0.261(12) Uani 1 1 d G U . . .
H20 H 0.504251 0.575058 0.642714 0.313 Uiso 1 1 calc R U . . .
C53 C 0.4481(5) 0.7542(4) 0.8789(5) 0.171(10) Uani 1 1 d G U . . .
H53 H 0.438988 0.732068 0.877358 0.205 Uiso 1 1 calc R U . . .
C54 C 0.4458(5) 0.7765(5) 0.8511(4) 0.159(9) Uani 1 1 d G U . . .
H54 H 0.435133 0.769420 0.830839 0.191 Uiso 1 1 calc R U . . .
C55 C 0.4595(5) 0.8096(5) 0.8534(4) 0.172(10) Uani 1 1 d G U . . .
H55 H 0.457951 0.824536 0.834787 0.207 Uiso 1 1 calc R U . . .
C56 C 0.4755(5) 0.8202(4) 0.8837(5) 0.160(10) Uani 1 1 d G U . . .
H56 H 0.484623 0.842302 0.885255 0.192 Uiso 1 1 calc R U . . .
C51 C 0.4778(4) 0.7978(5) 0.9115(4) 0.125(7) Uani 1 1 d G U . . .
C52 C 0.4641(5) 0.7648(4) 0.9092(4) 0.140(8) Uani 1 1 d G U . . .
H52 H 0.465661 0.749834 0.927827 0.168 Uiso 1 1 calc R U . . .
C83 C 0.5862(4) 0.6560(4) 0.9198(5) 0.126(6) Uani 1 1 d G U . . .
H83 H 0.601387 0.637718 0.916766 0.151 Uiso 1 1 calc R U . . .
C82 C 0.5704(4) 0.6710(4) 0.8913(3) 0.136(7) Uani 1 1 d G U . . .
H82 H 0.574910 0.662673 0.869329 0.164 Uiso 1 1 calc R U . . .
C81 C 0.5477(4) 0.6984(4) 0.8958(3) 0.141(8) Uani 1 1 d G U . . .
H81 H 0.537112 0.708384 0.876801 0.169 Uiso 1 1 calc R U . . .
C80 C 0.5409(4) 0.7108(3) 0.9287(4) 0.120(6) Uani 1 1 d G U . . .
H80 H 0.525788 0.729139 0.931711 0.144 Uiso 1 1 calc R U . . .
C79 C 0.5568(4) 0.6959(4) 0.9571(3) 0.100(5) Uani 1 1 d G U . . .
C84 C 0.5795(4) 0.6685(4) 0.9527(4) 0.125(6) Uani 1 1 d G U . . .
H84 H 0.590064 0.658474 0.971677 0.150 Uiso 1 1 calc R U . . .
O12 O 0.2691(7) 0.8613(6) 0.7868(9) 0.277(13) Uani 1 1 d D U . . .
C1 C 0.3019(7) 0.5015(9) 0.7474(9) 0.190(10) Uani 1 1 d D U . . .
C35 C 0.3586(6) 0.7327(6) 0.7567(6) 0.124(4) Uani 1 1 d . U . . .
H35A H 0.336549 0.721216 0.754086 0.148 Uiso 1 1 calc R U . . .
H35B H 0.370884 0.729782 0.735109 0.148 Uiso 1 1 calc R U . . .
O4 O 0.5383(8) 0.6186(8) 0.6705(9) 0.281(13) Uani 1 1 d D U . . .
C38 C 0.4136(5) 0.7847(4) 0.7578(4) 0.144(6) Uani 1 1 d G U . . .
H38 H 0.419503 0.761730 0.754250 0.172 Uiso 1 1 calc R U . . .
C37 C 0.3794(4) 0.7936(4) 0.7637(5) 0.139(6) Uani 1 1 d DG U . . .
C42 C 0.3705(3) 0.8279(4) 0.7690(5) 0.163(7) Uani 1 1 d DG U . . .
C41 C 0.3958(5) 0.8533(3) 0.7684(5) 0.163(7) Uani 1 1 d G U . . .
H41 H 0.389906 0.876225 0.771889 0.196 Uiso 1 1 calc R U . . .
C40 C 0.4300(4) 0.8443(5) 0.7624(5) 0.172(8) Uani 1 1 d G U . . .
H40 H 0.446945 0.861272 0.762033 0.206 Uiso 1 1 calc R U . . .
C39 C 0.4389(3) 0.8100(5) 0.7572(5) 0.154(7) Uani 1 1 d G U . . .
H39 H 0.461744 0.804025 0.753214 0.185 Uiso 1 1 calc R U . . .
C46 C 0.3167(5) 0.7805(5) 0.7646(9) 0.161(8) Uani 1 1 d D U . . .
C43 C 0.3397(9) 0.8406(8) 0.7721(8) 0.168(8) Uani 1 1 d . U . . .
H43 H 0.335821 0.864018 0.775600 0.202 Uiso 1 1 calc R U . . .
C36 C 0.3513(6) 0.7713(7) 0.7609(6) 0.135(5) Uani 1 1 d D U . . .
C44 C 0.3115(5) 0.8157(6) 0.7699(9) 0.170(8) Uani 1 1 d D U . . .
C45 C 0.2771(6) 0.8325(7) 0.7784(10) 0.194(9) Uani 1 1 d D U . . .
C49 C 0.3756(7) 0.6244(7) 0.6244(7) 0.162(15) Uani 1 3 d DS TU P . .
C23 C 0.5099(6) 0.6274(8) 0.6794(13) 0.234(10) Uani 1 1 d D U . . .
C50 C 0.3983(7) 0.6017(7) 0.6017(7) 0.24(2) Uani 1 3 d DS TU P . .
H50A H 0.393580 0.579470 0.608040 0.358 Uiso 0.3333 1 d R U P A -1
H50B H 0.422140 0.608040 0.608040 0.358 Uiso 0.3333 1 d R U P A -1
H50C H 0.393580 0.608040 0.579470 0.358 Uiso 0.3333 1 d R U P A -1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag2 P1 2.597(5) 3_657 ?
Ag2 P1 2.598(5) . ?
Ag2 P2 2.600(5) . ?
Ag2 P2 2.600(5) 3_657 ?
Zr1 O9 2.041(15) . ?
Zr1 O3 2.001(19) 10_656 ?
Zr1 O5 2.18(2) . ?
Zr1 O8 2.130(19) . ?
Zr1 O6 2.04(2) . ?
Zr1 O1 2.12(2) 10_656 ?
Ag1 N1 2.34(5) . ?
Ag1 N2 2.32(2) 10_656 ?
Ag1 N2 2.32(2) . ?
Ag1 N2 2.32(2) 7_665 ?
Zr2 O10 2.040(16) 7_665 ?
Zr2 O10 2.040(16) 10_656 ?
Zr2 O10 2.040(16) . ?
Zr2 O11 2.17(2) . ?
Zr2 O11 2.17(2) 10_656 ?
Zr2 O11 2.17(2) 7_665 ?
P1 C85 1.80(2) . ?
P1 C75 1.845(13) . ?
P1 C79 1.840(13) . ?
P2 C57 1.87(2) . ?
P2 C67 1.812(15) . ?
P2 C51 1.843(13) . ?
O9 C34 1.222(6) . ?
C66 C60 1.37(2) . ?
C66 C64 1.42(3) . ?
C66 C65 1.42(2) . ?
O10 C46 1.218(6) . ?
C60 C59 1.34(3) . ?
C60 C61 1.45(3) . ?
C85 C86 1.46(2) . ?
C85 C94 1.36(2) . ?
C86 C86 1.47(4) 3_657 ?
C86 C87 1.42(2) . ?
C59 H59 0.9300 . ?
C59 C58 1.38(3) . ?
O3 C11 1.45(2) . ?
C64 H64 0.9300 . ?
C64 C63 1.35(3) . ?
O5 C23 1.24(4) . ?
C90 H90 0.9300 . ?
C90 C89 1.3900 . ?
C90 C91 1.3900 . ?
C89 H89 0.9300 . ?
C89 C88 1.3900 . ?
C88 H88 0.9300 . ?
C88 C87 1.3900 . ?
C87 C92 1.3900 . ?
C92 C91 1.3900 . ?
C92 C93 1.41(2) . ?
C91 H91 0.9300 . ?
C65 C65 1.530(6) 3_657 ?
C65 C57 1.37(2) . ?
C57 C58 1.37(3) . ?
C61 H61 0.9300 . ?
C61 C62 1.33(3) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C10 1.50(3) . ?
C12 C13 1.70(3) . ?
C94 H94 0.9300 . ?
C94 C93 1.38(3) . ?
C63 H63 0.9300 . ?
C63 C62 1.33(3) . ?
N1 C49 1.10(5) . ?
C58 H58 0.9300 . ?
C67 C72 1.3900 . ?
C67 C68 1.3900 . ?
C72 H72 0.9300 . ?
C72 C71 1.3900 . ?
C71 H71 0.9300 . ?
C71 C70 1.3900 . ?
C70 H70 0.9300 . ?
C70 C69 1.3900 . ?
C69 H69 0.9300 . ?
C69 C68 1.3900 . ?
C68 H68 0.9300 . ?
C93 H93 0.9300 . ?
O8 C24 1.25(3) . ?
C47 N2 1.15(3) . ?
C47 C48 1.45(3) . ?
C76 H76 0.9300 . ?
C76 C77 1.3900 . ?
C76 C75 1.3900 . ?
C77 H77 0.9300 . ?
C77 C78 1.3900 . ?
C78 H78 0.9300 . ?
C78 C73 1.3900 . ?
C73 H73 0.9300 . ?
C73 C74 1.3900 . ?
C74 H74 0.9300 . ?
C74 C75 1.3900 . ?
C62 H62 0.9300 . ?
O11 C45 1.38(3) . ?
O6 C22 1.38(2) . ?
O1 C1 1.31(3) . ?
C48 H48A 0.9603 . ?
C48 H48B 0.9606 . ?
C48 H48C 0.9605 . ?
C28 H28 0.9300 . ?
C28 C29 1.3900 . ?
C28 C27 1.3900 . ?
C29 H29 0.9300 . ?
C29 C30 1.3900 . ?
C30 H30 0.9300 . ?
C30 C31 1.3900 . ?
C31 H31 0.9300 . ?
C31 C32 1.3900 . ?
C32 C27 1.3900 . ?
C32 C33 1.3900 . ?
C27 C26 1.3900 . ?
C26 H26 0.9300 . ?
C26 C25 1.3900 . ?
C25 C34 1.3900 . ?
C25 C24 1.522(6) . ?
C34 C33 1.3900 . ?
C33 C35 1.52(2) . ?
O2 C1 1.35(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.3900 . ?
C5 C4 1.3900 . ?
C6 H6 0.9300 . ?
C6 C7 1.3900 . ?
C7 H7 0.9300 . ?
C7 C8 1.3900 . ?
C8 H8 0.9300 . ?
C8 C9 1.3900 . ?
C9 C4 1.3900 . ?
C9 C10 1.3900 . ?
C4 C3 1.3900 . ?
C3 H3 0.9300 . ?
C3 C2 1.3900 . ?
C2 C11 1.3900 . ?
C2 C1 1.521(6) . ?
C11 C10 1.3900 . ?
O7 C24 1.202(6) . ?
C15 H15 0.9300 . ?
C15 C16 1.3900 . ?
C15 C14 1.3900 . ?
C16 H16 0.9300 . ?
C16 C17 1.3900 . ?
C17 H17 0.9300 . ?
C17 C18 1.3900 . ?
C18 H18 0.9300 . ?
C18 C19 1.3900 . ?
C19 C14 1.3900 . ?
C19 C20 1.3900 . ?
C14 C13 1.3900 . ?
C13 C22 1.3900 . ?
C22 C21 1.3900 . ?
C21 C20 1.3900 . ?
C21 C23 1.524(6) . ?
C20 H20 0.9300 . ?
C53 H53 0.9300 . ?
C53 C54 1.3900 . ?
C53 C52 1.3900 . ?
C54 H54 0.9300 . ?
C54 C55 1.3900 . ?
C55 H55 0.9300 . ?
C55 C56 1.3900 . ?
C56 H56 0.9300 . ?
C56 C51 1.3900 . ?
C51 C52 1.3900 . ?
C52 H52 0.9300 . ?
C83 H83 0.9300 . ?
C83 C82 1.3900 . ?
C83 C84 1.3900 . ?
C82 H82 0.9300 . ?
C82 C81 1.3900 . ?
C81 H81 0.9300 . ?
C81 C80 1.3900 . ?
C80 H80 0.9300 . ?
C80 C79 1.3900 . ?
C79 C84 1.3900 . ?
C84 H84 0.9300 . ?
O12 C45 1.206(6) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 C36 1.53(3) . ?
O4 C23 1.205(6) . ?
C38 H38 0.9300 . ?
C38 C37 1.3900 . ?
C38 C39 1.3900 . ?
C37 C42 1.3900 . ?
C37 C36 1.40(3) . ?
C42 C41 1.3900 . ?
C42 C43 1.30(3) . ?
C41 H41 0.9300 . ?
C41 C40 1.3900 . ?
C40 H40 0.9300 . ?
C40 C39 1.3900 . ?
C39 H39 0.9300 . ?
C46 C36 1.395(6) . ?
C46 C44 1.397(6) . ?
C43 H43 0.9300 . ?
C43 C44 1.46(3) . ?
C44 C45 1.522(6) . ?
C49 C50 1.529(6) . ?
C50 H50A 0.9150 . ?
C50 H50B 0.9879 . ?
C50 H50C 0.9150 . ?

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
_geom_angle_publ_flag
P1 Ag2 P1 87.7(2) 3_657 . ?
P1 Ag2 P2 119.68(18) . 3_657 ?
P1 Ag2 P2 121.77(18) 3_657 3_657 ?
P1 Ag2 P2 119.68(18) 3_657 . ?
P1 Ag2 P2 121.77(18) . . ?
P2 Ag2 P2 89.8(2) . 3_657 ?
O9 Zr1 O5 169.4(7) . . ?
O9 Zr1 O8 80.2(7) . . ?
O9 Zr1 O6 96.4(7) . . ?
O9 Zr1 O1 97.0(8) . 10_656 ?
O3 Zr1 O9 96.0(6) 10_656 . ?
O3 Zr1 O5 94.4(7) 10_656 . ?
O3 Zr1 O8 168.6(8) 10_656 . ?
O3 Zr1 O6 96.4(7) 10_656 . ?
O3 Zr1 O1 83.5(8) 10_656 10_656 ?
O8 Zr1 O5 90.1(8) . . ?
O6 Zr1 O5 80.3(8) . . ?
O6 Zr1 O8 94.7(8) . . ?
O6 Zr1 O1 166.6(9) . 10_656 ?
O1 Zr1 O5 86.3(9) 10_656 . ?
O1 Zr1 O8 86.3(8) 10_656 . ?
N2 Ag1 N1 107.7(5) . . ?
N2 Ag1 N1 107.7(5) 10_656 . ?
N2 Ag1 N1 107.7(5) 7_665 . ?
N2 Ag1 N2 111.2(5) . 7_665 ?
N2 Ag1 N2 111.2(5) 10_656 7_665 ?
N2 Ag1 N2 111.2(5) . 10_656 ?
O10 Zr2 O10 97.9(6) 7_665 10_656 ?
O10 Zr2 O10 97.9(6) 7_665 . ?
O10 Zr2 O10 97.9(6) 10_656 . ?
O10 Zr2 O11 95.1(8) 7_665 10_656 ?
O10 Zr2 O11 95.1(8) . 7_665 ?
O10 Zr2 O11 80.4(7) 7_665 7_665 ?
O10 Zr2 O11 80.4(7) 10_656 10_656 ?
O10 Zr2 O11 167.0(8) 7_665 . ?
O10 Zr2 O11 167.0(8) 10_656 7_665 ?
O10 Zr2 O11 95.1(8) 10_656 . ?
O10 Zr2 O11 80.4(7) . . ?
O10 Zr2 O11 167.0(8) . 10_656 ?
O11 Zr2 O11 86.8(9) . 7_665 ?
O11 Zr2 O11 86.8(9) . 10_656 ?
O11 Zr2 O11 86.8(9) 10_656 7_665 ?
C85 P1 Ag2 109.0(6) . . ?
C85 P1 C75 104.9(8) . . ?
C85 P1 C79 108.5(8) . . ?
C75 P1 Ag2 116.3(6) . . ?
C79 P1 Ag2 115.8(6) . . ?
C79 P1 C75 101.4(7) . . ?
C57 P2 Ag2 108.6(6) . . ?
C67 P2 Ag2 118.1(7) . . ?
C67 P2 C57 108.5(9) . . ?
C67 P2 C51 100.7(8) . . ?
C51 P2 Ag2 116.4(6) . . ?
C51 P2 C57 103.5(9) . . ?
C34 O9 Zr1 137.6(15) . . ?
C60 C66 C64 117.7(19) . . ?
C60 C66 C65 119.8(17) . . ?
C64 C66 C65 122.3(17) . . ?
C46 O10 Zr2 137.0(18) . . ?
C66 C60 C61 119(2) . . ?
C59 C60 C66 121(2) . . ?
C59 C60 C61 120(2) . . ?
C86 C85 P1 123.4(14) . . ?
C94 C85 P1 118.5(16) . . ?
C94 C85 C86 118.1(19) . . ?
C85 C86 C86 120.8(16) . 3_657 ?
C87 C86 C85 120.4(16) . . ?
C87 C86 C86 118.8(15) . 3_657 ?
C60 C59 H59 120.3 . . ?
C60 C59 C58 119(2) . . ?
C58 C59 H59 120.3 . . ?
C11 O3 Zr1 138.2(14) . 7_665 ?
C66 C64 H64 119.8 . . ?
C63 C64 C66 120(2) . . ?
C63 C64 H64 119.8 . . ?
C23 O5 Zr1 136(2) . . ?
C89 C90 H90 120.0 . . ?
C89 C90 C91 120.0 . . ?
C91 C90 H90 120.0 . . ?
C90 C89 H89 120.0 . . ?
C90 C89 C88 120.0 . . ?
C88 C89 H89 120.0 . . ?
C89 C88 H88 120.0 . . ?
C87 C88 C89 120.0 . . ?
C87 C88 H88 120.0 . . ?
C88 C87 C86 120.4(11) . . ?
C92 C87 C86 119.6(11) . . ?
C92 C87 C88 120.0 . . ?
C87 C92 C91 120.0 . . ?
C87 C92 C93 118.0(12) . . ?
C91 C92 C93 122.0(12) . . ?
C90 C91 H91 120.0 . . ?
C92 C91 C90 120.0 . . ?
C92 C91 H91 120.0 . . ?
C66 C65 C65 118.3(14) . 3_657 ?
C57 C65 C66 118.6(12) . . ?
C57 C65 C65 123.1(15) . 3_657 ?
C65 C57 P2 123.1(15) . . ?
C58 C57 P2 117.3(17) . . ?
C58 C57 C65 119.4(18) . . ?
C60 C61 H61 119.9 . . ?
C62 C61 C60 120(2) . . ?
C62 C61 H61 119.9 . . ?
H12A C12 H12B 107.7 . . ?
C10 C12 H12A 108.9 . . ?
C10 C12 H12B 108.9 . . ?
C10 C12 C13 113(2) . . ?
C13 C12 H12A 108.9 . . ?
C13 C12 H12B 108.9 . . ?
C85 C94 H94 119.7 . . ?
C85 C94 C93 120.6(19) . . ?
C93 C94 H94 119.7 . . ?
C64 C63 H63 118.7 . . ?
C62 C63 C64 123(3) . . ?
C62 C63 H63 118.7 . . ?
C49 N1 Ag1 180(5) . . ?
C59 C58 H58 119.2 . . ?
C57 C58 C59 122(2) . . ?
C57 C58 H58 119.2 . . ?
C72 C67 P2 119.7(12) . . ?
C72 C67 C68 120.0 . . ?
C68 C67 P2 120.2(12) . . ?
C67 C72 H72 120.0 . . ?
C71 C72 C67 120.0 . . ?
C71 C72 H72 120.0 . . ?
C72 C71 H71 120.0 . . ?
C72 C71 C70 120.0 . . ?
C70 C71 H71 120.0 . . ?
C71 C70 H70 120.0 . . ?
C69 C70 C71 120.0 . . ?
C69 C70 H70 120.0 . . ?
C70 C69 H69 120.0 . . ?
C68 C69 C70 120.0 . . ?
C68 C69 H69 120.0 . . ?
C67 C68 H68 120.0 . . ?
C69 C68 C67 120.0 . . ?
C69 C68 H68 120.0 . . ?
C92 C93 H93 118.3 . . ?
C94 C93 C92 123.3(18) . . ?
C94 C93 H93 118.3 . . ?
C24 O8 Zr1 137.6(15) . . ?
N2 C47 C48 177(3) . . ?
C77 C76 H76 120.0 . . ?
C77 C76 C75 120.0 . . ?
C75 C76 H76 120.0 . . ?
C76 C77 H77 120.0 . . ?
C76 C77 C78 120.0 . . ?
C78 C77 H77 120.0 . . ?
C77 C78 H78 120.0 . . ?
C77 C78 C73 120.0 . . ?
C73 C78 H78 120.0 . . ?
C78 C73 H73 120.0 . . ?
C74 C73 C78 120.0 . . ?
C74 C73 H73 120.0 . . ?
C73 C74 H74 120.0 . . ?
C73 C74 C75 120.0 . . ?
C75 C74 H74 120.0 . . ?
C76 C75 P1 123.9(10) . . ?
C74 C75 P1 115.9(10) . . ?
C74 C75 C76 120.0 . . ?
C61 C62 C63 120(3) . . ?
C61 C62 H62 119.9 . . ?
C63 C62 H62 119.9 . . ?
C47 N2 Ag1 176(2) . . ?
C45 O11 Zr2 134.1(16) . . ?
C22 O6 Zr1 132.0(17) . . ?
C1 O1 Zr1 125(2) . 7_665 ?
C47 C48 H48A 106.7 . . ?
C47 C48 H48B 111.2 . . ?
C47 C48 H48C 110.4 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.4 . . ?
C29 C28 H28 120.0 . . ?
C29 C28 C27 120.0 . . ?
C27 C28 H28 120.0 . . ?
C28 C29 H29 120.0 . . ?
C28 C29 C30 120.0 . . ?
C30 C29 H29 120.0 . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 120.0 . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 120.0 . . ?
C32 C31 C30 120.0 . . ?
C32 C31 H31 120.0 . . ?
C27 C32 C31 120.0 . . ?
C32 C27 C28 120.0 . . ?
C26 C27 C28 120.0 . . ?
C26 C27 C32 120.0 . . ?
C27 C26 H26 120.0 . . ?
C27 C26 C25 120.0 . . ?
C25 C26 H26 120.0 . . ?
C26 C25 C34 120.0 . . ?
C26 C25 C24 107.6(15) . . ?
C34 C25 C24 132.4(15) . . ?
O9 C34 C25 117.7(15) . . ?
O9 C34 C33 121.3(14) . . ?
C33 C34 C25 120.0 . . ?
C32 C33 C35 120.8(13) . . ?
C34 C33 C32 120.0 . . ?
C34 C33 C35 119.2(13) . . ?
C6 C5 H5 120.0 . . ?
C6 C5 C4 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C6 H6 120.0 . . ?
C5 C6 C7 120.0 . . ?
C7 C6 H6 120.0 . . ?
C6 C7 H7 120.0 . . ?
C6 C7 C8 120.0 . . ?
C8 C7 H7 120.0 . . ?
C7 C8 H8 120.0 . . ?
C9 C8 C7 120.0 . . ?
C9 C8 H8 120.0 . . ?
C8 C9 C4 120.0 . . ?
C9 C4 C5 120.0 . . ?
C3 C4 C5 120.0 . . ?
C3 C4 C9 120.0 . . ?
C4 C3 H3 120.0 . . ?
C4 C3 C2 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C2 C1 122.7(19) . . ?
C11 C2 C3 120.0 . . ?
C11 C2 C1 117.1(19) . . ?
C2 C11 O3 119.3(15) . . ?
C2 C11 C10 120.0 . . ?
C10 C11 O3 120.3(15) . . ?
C9 C10 C12 125.6(16) . . ?
C11 C10 C12 114.4(15) . . ?
C11 C10 C9 120.0 . . ?
O8 C24 C25 110.6(17) . . ?
O7 C24 O8 121(2) . . ?
O7 C24 C25 128(3) . . ?
C16 C15 H15 120.0 . . ?
C16 C15 C14 120.0 . . ?
C14 C15 H15 120.0 . . ?
C15 C16 H16 120.0 . . ?
C17 C16 C15 120.0 . . ?
C17 C16 H16 120.0 . . ?
C16 C17 H17 120.0 . . ?
C16 C17 C18 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C18 H18 120.0 . . ?
C17 C18 C19 120.0 . . ?
C19 C18 H18 120.0 . . ?
C14 C19 C18 120.0 . . ?
C19 C14 C15 120.0 . . ?
C13 C14 C15 120.0 . . ?
C13 C14 C19 120.0 . . ?
C14 C13 C12 119.0(16) . . ?
C14 C13 C22 120.0 . . ?
C22 C13 C12 119.2(15) . . ?
O6 C22 C13 113.0(18) . . ?
O6 C22 C21 122.4(19) . . ?
C13 C22 C21 120.0 . . ?
C22 C21 C23 128(2) . . ?
C20 C21 C22 120.0 . . ?
C20 C21 C23 111(2) . . ?
C19 C20 H20 120.0 . . ?
C21 C20 C19 120.0 . . ?
C21 C20 H20 120.0 . . ?
C54 C53 H53 120.0 . . ?
C54 C53 C52 120.0 . . ?
C52 C53 H53 120.0 . . ?
C53 C54 H54 120.0 . . ?
C55 C54 C53 120.0 . . ?
C55 C54 H54 120.0 . . ?
C54 C55 H55 120.0 . . ?
C54 C55 C56 120.0 . . ?
C56 C55 H55 120.0 . . ?
C55 C56 H56 120.0 . . ?
C51 C56 C55 120.0 . . ?
C51 C56 H56 120.0 . . ?
C56 C51 P2 123.0(11) . . ?
C52 C51 P2 117.0(11) . . ?
C52 C51 C56 120.0 . . ?
C53 C52 H52 120.0 . . ?
C51 C52 C53 120.0 . . ?
C51 C52 H52 120.0 . . ?
C82 C83 H83 120.0 . . ?
C82 C83 C84 120.0 . . ?
C84 C83 H83 120.0 . . ?
C83 C82 H82 120.0 . . ?
C83 C82 C81 120.0 . . ?
C81 C82 H82 120.0 . . ?
C82 C81 H81 120.0 . . ?
C82 C81 C80 120.0 . . ?
C80 C81 H81 120.0 . . ?
C81 C80 H80 120.0 . . ?
C79 C80 C81 120.0 . . ?
C79 C80 H80 120.0 . . ?
C80 C79 P1 116.9(10) . . ?
C80 C79 C84 120.0 . . ?
C84 C79 P1 123.1(10) . . ?
C83 C84 H84 120.0 . . ?
C79 C84 C83 120.0 . . ?
C79 C84 H84 120.0 . . ?
O1 C1 O2 112.3(19) . . ?
O1 C1 C2 133(3) . . ?
O2 C1 C2 115(3) . . ?
C33 C35 H35A 107.3 . . ?
C33 C35 H35B 107.3 . . ?
C33 C35 C36 120.2(18) . . ?
H35A C35 H35B 106.9 . . ?
C36 C35 H35A 107.3 . . ?
C36 C35 H35B 107.3 . . ?
C37 C38 H38 120.0 . . ?
C37 C38 C39 120.0 . . ?
C39 C38 H38 120.0 . . ?
C38 C37 C36 125.2(16) . . ?
C42 C37 C38 120.0 . . ?
C42 C37 C36 114.4(16) . . ?
C37 C42 C41 120.0 . . ?
C43 C42 C37 127.2(18) . . ?
C43 C42 C41 112.6(18) . . ?
C42 C41 H41 120.0 . . ?
C40 C41 C42 120.0 . . ?
C40 C41 H41 120.0 . . ?
C41 C40 H40 120.0 . . ?
C41 C40 C39 120.0 . . ?
C39 C40 H40 120.0 . . ?
C38 C39 H39 120.0 . . ?
C40 C39 C38 120.0 . . ?
C40 C39 H39 120.0 . . ?
O10 C46 C36 122(2) . . ?
O10 C46 C44 124(2) . . ?
C36 C46 C44 113.9(17) . . ?
C42 C43 H43 122.2 . . ?
C42 C43 C44 116(2) . . ?
C44 C43 H43 122.2 . . ?
C37 C36 C35 118(2) . . ?
C46 C36 C35 116(2) . . ?
C46 C36 C37 126(2) . . ?
C46 C44 C43 123.2(19) . . ?
C46 C44 C45 125(2) . . ?
C43 C44 C45 111(2) . . ?
O11 C45 C44 114(2) . . ?
O12 C45 O11 112(2) . . ?
O12 C45 C44 133(3) . . ?
N1 C49 C50 180(7) . . ?
O5 C23 C21 112(3) . . ?
O4 C23 O5 121(3) . . ?
O4 C23 C21 121(3) . . ?
C49 C50 H50A 105.7 . . ?
C49 C50 H50B 104.5 . . ?
C49 C50 H50C 105.7 . . ?
H50A C50 H50B 110.9 . . ?
H50A C50 H50C 117.9 . . ?
H50B C50 H50C 110.9 . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag2 P1 C85 C86 79.8(15) . . . . ?
Ag2 P1 C85 C94 -96.3(15) . . . . ?
Ag2 P1 C75 C76 169.1(7) . . . . ?
Ag2 P1 C75 C74 -16.3(9) . . . . ?
Ag2 P1 C79 C80 4.3(9) . . . . ?
Ag2 P1 C79 C84 -176.0(7) . . . . ?
Ag2 P2 C57 C65 76.3(18) . . . . ?
Ag2 P2 C57 C58 -99.1(16) . . . . ?
Ag2 P2 C67 C72 -157.2(8) . . . . ?
Ag2 P2 C67 C68 25.5(11) . . . . ?
Ag2 P2 C51 C56 -178.7(8) . . . . ?
Ag2 P2 C51 C52 2.0(12) . . . . ?
Zr1 O9 C34 C25 9(2) . . . . ?
Zr1 O9 C34 C33 -159.8(12) . . . . ?
Zr1 O3 C11 C2 10(2) 7_665 . . . ?
Zr1 O3 C11 C10 -163.5(12) 7_665 . . . ?
Zr1 O5 C23 C21 -38(6) . . . . ?
Zr1 O5 C23 O4 171(3) . . . . ?
Zr1 O8 C24 C25 -16(5) . . . . ?
Zr1 O8 C24 O7 172(2) . . . . ?
Zr1 O6 C22 C13 -164.1(12) . . . . ?
Zr1 O6 C22 C21 -8(3) . . . . ?
Zr1 O1 C1 O2 -175(2) 7_665 . . . ?
Zr1 O1 C1 C2 13(6) 7_665 . . . ?
Zr2 O10 C46 C36 -161.9(19) . . . . ?
Zr2 O10 C46 C44 22(5) . . . . ?
Zr2 O11 C45 O12 -173(3) . . . . ?
Zr2 O11 C45 C44 16(5) . . . . ?
P1 C85 C86 C86 2(3) . . . 3_657 ?
P1 C85 C86 C87 -174.8(12) . . . . ?
P1 C85 C94 C93 173.6(15) . . . . ?
P1 C79 C84 C83 -179.7(11) . . . . ?
P2 C57 C58 C59 -180.0(17) . . . . ?
P2 C67 C72 C71 -177.3(13) . . . . ?
P2 C67 C68 C69 177.3(13) . . . . ?
P2 C51 C52 C53 179.4(13) . . . . ?
O9 C34 C33 C32 168.1(15) . . . . ?
O9 C34 C33 C35 -11.7(16) . . . . ?
C66 C60 C59 C58 -2(3) . . . . ?
C66 C60 C61 C62 4(3) . . . . ?
C66 C64 C63 C62 -2(4) . . . . ?
C66 C65 C57 P2 -179.0(15) . . . . ?
C66 C65 C57 C58 -4(3) . . . . ?
O10 C46 C36 C35 1(5) . . . . ?
O10 C46 C36 C37 -173(3) . . . . ?
O10 C46 C44 C43 175(3) . . . . ?
O10 C46 C44 C45 3(6) . . . . ?
C60 C66 C64 C63 2(3) . . . . ?
C60 C66 C65 C65 178.4(19) . . . 3_657 ?
C60 C66 C65 C57 0(3) . . . . ?
C60 C59 C58 C57 -2(3) . . . . ?
C60 C61 C62 C63 -4(4) . . . . ?
C85 P1 C75 C76 48.6(11) . . . . ?
C85 P1 C75 C74 -136.8(9) . . . . ?
C85 P1 C79 C80 127.3(10) . . . . ?
C85 P1 C79 C84 -53.0(11) . . . . ?
C85 C86 C87 C88 179.3(13) . . . . ?
C85 C86 C87 C92 0(2) . . . . ?
C85 C94 C93 C92 3(3) . . . . ?
C86 C85 C94 C93 -3(3) . . . . ?
C86 C86 C87 C88 3(2) 3_657 . . . ?
C86 C86 C87 C92 -176.4(13) 3_657 . . . ?
C86 C87 C92 C91 179.0(13) . . . . ?
C86 C87 C92 C93 -0.5(17) . . . . ?
C59 C60 C61 C62 -177(2) . . . . ?
O3 C11 C10 C12 -6.1(17) . . . . ?
O3 C11 C10 C9 173.1(14) . . . . ?
C64 C66 C60 C59 178(2) . . . . ?
C64 C66 C60 C61 -3(3) . . . . ?
C64 C66 C65 C65 3(3) . . . 3_657 ?
C64 C66 C65 C57 -174.8(19) . . . . ?
C64 C63 C62 C61 3(4) . . . . ?
C90 C89 C88 C87 0.0 . . . . ?
C89 C90 C91 C92 0.0 . . . . ?
C89 C88 C87 C86 -179.0(13) . . . . ?
C89 C88 C87 C92 0.0 . . . . ?
C88 C87 C92 C91 0.0 . . . . ?
C88 C87 C92 C93 -179.5(16) . . . . ?
C87 C92 C91 C90 0.0 . . . . ?
C87 C92 C93 C94 -1(3) . . . . ?
C91 C90 C89 C88 0.0 . . . . ?
C91 C92 C93 C94 179.6(15) . . . . ?
C65 C66 C60 C59 3(3) . . . . ?
C65 C66 C60 C61 -178.0(18) . . . . ?
C65 C66 C64 C63 177(2) . . . . ?
C65 C65 C57 P2 3(3) 3_657 . . . ?
C65 C65 C57 C58 178(2) 3_657 . . . ?
C65 C57 C58 C59 5(3) . . . . ?
C57 P2 C67 C72 -33.2(13) . . . . ?
C57 P2 C67 C68 149.5(10) . . . . ?
C57 P2 C51 C56 62.3(13) . . . . ?
C57 P2 C51 C52 -117.0(11) . . . . ?
C61 C60 C59 C58 179(2) . . . . ?
C12 C13 C22 O6 -7.6(18) . . . . ?
C12 C13 C22 C21 -164(2) . . . . ?
C94 C85 C86 C86 177.9(19) . . . 3_657 ?
C94 C85 C86 C87 1(3) . . . . ?
C67 P2 C57 C65 -53.2(19) . . . . ?
C67 P2 C57 C58 131.4(17) . . . . ?
C67 P2 C51 C56 -49.8(12) . . . . ?
C67 P2 C51 C52 130.9(11) . . . . ?
C67 C72 C71 C70 0.0 . . . . ?
C72 C67 C68 C69 0.0 . . . . ?
C72 C71 C70 C69 0.0 . . . . ?
C71 C70 C69 C68 0.0 . . . . ?
C70 C69 C68 C67 0.0 . . . . ?
C68 C67 C72 C71 0.0 . . . . ?
C93 C92 C91 C90 179.5(16) . . . . ?
C76 C77 C78 C73 0.0 . . . . ?
C77 C76 C75 P1 174.4(11) . . . . ?
C77 C76 C75 C74 0.0 . . . . ?
C77 C78 C73 C74 0.0 . . . . ?
C78 C73 C74 C75 0.0 . . . . ?
C73 C74 C75 P1 -174.8(10) . . . . ?
C73 C74 C75 C76 0.0 . . . . ?
C75 P1 C85 C86 -155.0(15) . . . . ?
C75 P1 C85 C94 28.9(17) . . . . ?
C75 P1 C79 C80 -122.6(9) . . . . ?
C75 P1 C79 C84 57.1(10) . . . . ?
C75 C76 C77 C78 0.0 . . . . ?
O6 C22 C21 C20 -154.4(18) . . . . ?
O6 C22 C21 C23 14(3) . . . . ?
C28 C29 C30 C31 0.0 . . . . ?
C28 C27 C26 C25 180.0 . . . . ?
C29 C28 C27 C32 0.0 . . . . ?
C29 C28 C27 C26 180.0 . . . . ?
C29 C30 C31 C32 0.0 . . . . ?
C30 C31 C32 C27 0.0 . . . . ?
C30 C31 C32 C33 180.0 . . . . ?
C31 C32 C27 C28 0.0 . . . . ?
C31 C32 C27 C26 180.0 . . . . ?
C31 C32 C33 C34 180.0 . . . . ?
C31 C32 C33 C35 -0.2(15) . . . . ?
C32 C27 C26 C25 0.0 . . . . ?
C32 C33 C35 C36 71(2) . . . . ?
C27 C28 C29 C30 0.0 . . . . ?
C27 C32 C33 C34 0.0 . . . . ?
C27 C32 C33 C35 179.8(15) . . . . ?
C27 C26 C25 C34 0.0 . . . . ?
C27 C26 C25 C24 -178.0(18) . . . . ?
C26 C25 C34 O9 -168.5(14) . . . . ?
C26 C25 C34 C33 0.0 . . . . ?
C26 C25 C24 O8 172(2) . . . . ?
C26 C25 C24 O7 -16(4) . . . . ?
C25 C34 C33 C32 0.0 . . . . ?
C25 C34 C33 C35 -179.8(15) . . . . ?
C34 C25 C24 O8 -5(4) . . . . ?
C34 C25 C24 O7 166(3) . . . . ?
C34 C33 C35 C36 -109(2) . . . . ?
C33 C32 C27 C28 180.0 . . . . ?
C33 C32 C27 C26 0.0 . . . . ?
C33 C35 C36 C37 60(3) . . . . ?
C33 C35 C36 C46 -115(3) . . . . ?
C5 C6 C7 C8 0.0 . . . . ?
C5 C4 C3 C2 180.0 . . . . ?
C6 C5 C4 C9 0.0 . . . . ?
C6 C5 C4 C3 180.0 . . . . ?
C6 C7 C8 C9 0.0 . . . . ?
C7 C8 C9 C4 0.0 . . . . ?
C7 C8 C9 C10 180.0 . . . . ?
C8 C9 C4 C5 0.0 . . . . ?
C8 C9 C4 C3 180.0 . . . . ?
C8 C9 C10 C12 -1(2) . . . . ?
C8 C9 C10 C11 180.0 . . . . ?
C9 C4 C3 C2 0.0 . . . . ?
C4 C5 C6 C7 0.0 . . . . ?
C4 C9 C10 C12 179(2) . . . . ?
C4 C9 C10 C11 0.0 . . . . ?
C4 C3 C2 C11 0.0 . . . . ?
C4 C3 C2 C1 175(2) . . . . ?
C3 C2 C11 O3 -173.2(14) . . . . ?
C3 C2 C11 C10 0.0 . . . . ?
C3 C2 C1 O1 161(3) . . . . ?
C3 C2 C1 O2 -10(4) . . . . ?
C2 C11 C10 C12 -179.2(18) . . . . ?
C2 C11 C10 C9 0.0 . . . . ?
C11 C2 C1 O1 -24(5) . . . . ?
C11 C2 C1 O2 165(3) . . . . ?
C10 C12 C13 C14 88(2) . . . . ?
C10 C12 C13 C22 -107.6(19) . . . . ?
C10 C9 C4 C5 180.0 . . . . ?
C10 C9 C4 C3 0.0 . . . . ?
C24 C25 C34 O9 9(2) . . . . ?
C24 C25 C34 C33 177(2) . . . . ?
C15 C16 C17 C18 0.0 . . . . ?
C15 C14 C13 C12 -15.7(19) . . . . ?
C15 C14 C13 C22 180.0 . . . . ?
C16 C15 C14 C19 0.0 . . . . ?
C16 C15 C14 C13 180.0 . . . . ?
C16 C17 C18 C19 0.0 . . . . ?
C17 C18 C19 C14 0.0 . . . . ?
C17 C18 C19 C20 180.0 . . . . ?
C18 C19 C14 C15 0.0 . . . . ?
C18 C19 C14 C13 180.0 . . . . ?
C18 C19 C20 C21 180.0 . . . . ?
C19 C14 C13 C12 164.3(19) . . . . ?
C19 C14 C13 C22 0.0 . . . . ?
C14 C15 C16 C17 0.0 . . . . ?
C14 C19 C20 C21 0.0 . . . . ?
C14 C13 C22 O6 156.7(18) . . . . ?
C14 C13 C22 C21 0.0 . . . . ?
C13 C12 C10 C9 64(3) . . . . ?
C13 C12 C10 C11 -117.1(18) . . . . ?
C13 C22 C21 C20 0.0 . . . . ?
C13 C22 C21 C23 168(3) . . . . ?
C22 C21 C20 C19 0.0 . . . . ?
C22 C21 C23 O5 7(5) . . . . ?
C22 C21 C23 O4 158(4) . . . . ?
C20 C19 C14 C15 180.0 . . . . ?
C20 C19 C14 C13 0.0 . . . . ?
C20 C21 C23 O5 176(3) . . . . ?
C20 C21 C23 O4 -33(6) . . . . ?
C53 C54 C55 C56 0.0 . . . . ?
C54 C53 C52 C51 0.0 . . . . ?
C54 C55 C56 C51 0.0 . . . . ?
C55 C56 C51 P2 -179.3(14) . . . . ?
C55 C56 C51 C52 0.0 . . . . ?
C56 C51 C52 C53 0.0 . . . . ?
C51 P2 C57 C65 -159.5(17) . . . . ?
C51 P2 C57 C58 25.2(19) . . . . ?
C51 P2 C67 C72 75.0(12) . . . . ?
C51 P2 C67 C68 -102.3(11) . . . . ?
C52 C53 C54 C55 0.0 . . . . ?
C83 C82 C81 C80 0.0 . . . . ?
C82 C83 C84 C79 0.0 . . . . ?
C82 C81 C80 C79 0.0 . . . . ?
C81 C80 C79 P1 179.8(10) . . . . ?
C81 C80 C79 C84 0.0 . . . . ?
C80 C79 C84 C83 0.0 . . . . ?
C79 P1 C85 C86 -47.3(17) . . . . ?
C79 P1 C85 C94 136.7(15) . . . . ?
C79 P1 C75 C76 -64.3(10) . . . . ?
C79 P1 C75 C74 110.3(9) . . . . ?
C84 C83 C82 C81 0.0 . . . . ?
C1 C2 C11 O3 11(2) . . . . ?
C1 C2 C11 C10 -175(2) . . . . ?
C38 C37 C42 C41 0.0 . . . . ?
C38 C37 C42 C43 174(3) . . . . ?
C38 C37 C36 C35 10(3) . . . . ?
C38 C37 C36 C46 -176(2) . . . . ?
C37 C38 C39 C40 0.0 . . . . ?
C37 C42 C41 C40 0.0 . . . . ?
C37 C42 C43 C44 0(4) . . . . ?
C42 C37 C36 C35 -177.2(16) . . . . ?
C42 C37 C36 C46 -3(3) . . . . ?
C42 C41 C40 C39 0.0 . . . . ?
C42 C43 C44 C46 0(5) . . . . ?
C42 C43 C44 C45 173(3) . . . . ?
C41 C42 C43 C44 175(2) . . . . ?
C41 C40 C39 C38 0.0 . . . . ?
C39 C38 C37 C42 0.0 . . . . ?
C39 C38 C37 C36 172(2) . . . . ?
C46 C44 C45 O11 -19(5) . . . . ?
C46 C44 C45 O12 172(4) . . . . ?
C43 C42 C41 C40 -175(2) . . . . ?
C43 C44 C45 O11 168(3) . . . . ?
C43 C44 C45 O12 -1(7) . . . . ?
C36 C37 C42 C41 -172.8(18) . . . . ?
C36 C37 C42 C43 2(3) . . . . ?
C36 C46 C44 C43 -1(5) . . . . ?
C36 C46 C44 C45 -173(3) . . . . ?
C44 C46 C36 C35 177(2) . . . . ?
C44 C46 C36 C37 3(5) . . . . ?
C23 C21 C20 C19 -170(2) . . . . ?

_platon_squeeze_details          ?
_platon_squeeze_special_details  ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 8836 2490 ' '
2 0.500 0.000 0.000 28 0 ' '
3 0.000 0.000 0.500 28 0 ' '
4 0.500 0.000 0.500 28 0 ' '
5 0.500 0.500 0.500 8837 2490 ' '
6 0.500 0.500 0.000 28 0 ' '
7 0.000 0.500 0.000 28 0 ' '
8 1.000 0.500 0.500 28 0 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.138
_oxdiff_exptl_absorpt_empirical_full_min 0.877
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0(10)
2 1(10)

loop_
_publcif_info_exptl_table_extra_item
sin_theta_over_lambda_max

loop_
_publcif_info_exptl_table_header_item
?



_publcif_funding_html            
;
;
# start Validation Reply Form
_vrf_THETM01_PTC-374delta        
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: The crystal under investigation showed no significant intensity
above 1\A resolution.
;
_vrf_PLAT881_PTC-374delta        
;
PROBLEM: No Datum for _diffrn_reflns_av_R_equivalents ...     Please Do !  
RESPONSE: The absorption correction was severe and finally all equivalent data
were merged, because of the bad crystal. The structure considered to be correct. 
;
# end Validation Reply Form
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_R-Ag
_database_code_depnum_ccdc_archive 'CCDC 2356640'
loop_
_audit_author_name
_audit_author_address
'Yan-Ping He'
;Fujian Institute of Research on the Structure of Matter
China
;

_audit_update_record             
;
2024-05-20 deposited with the CCDC.	2024-08-07 downloaded from the CCDC.
;
_publcif_datablock.id            {685fc5c8-0edd-4847-ae41-ba79fe0dc486}
_audit_creation_date             2024-03-12
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C88 H64 Ag P4, Cl O4'
_chemical_formula_sum            'C88 H64 Ag Cl O4 P4'
_chemical_formula_weight         1452.59
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O N P Ag'
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'
Ag Ag 0.1306 4.2820 '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'
O O 0.0492 0.0322 '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'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   12.02620(10)
_cell_length_b                   21.6512(3)
_cell_length_c                   28.7849(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7495.06(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    25507
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      75.5040
_cell_measurement_theta_min      2.5380
_shelx_estimated_absorpt_T_max   0.709
_shelx_estimated_absorpt_T_min   0.404
_exptl_absorpt_coefficient_mu    3.689
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.78557
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.85a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.287
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2992
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0424
_diffrn_reflns_av_unetI/netI     0.0443
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            39103
_diffrn_reflns_point_group_measured_fraction_full 0.939
_diffrn_reflns_point_group_measured_fraction_max 0.896
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.558
_diffrn_reflns_theta_min         2.554
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -71.00 -33.00   0.38    0.40    -- -106.00  61.00-180.00  100
  2  ω    -71.00 -33.00   0.38    0.40    -- -106.00  61.00 -90.00  100
  3  ω    -27.00  36.84   0.38    0.10    --  -42.67  19.00 -30.00  168
  4  ω    -71.00 -33.00   0.38    0.40    -- -106.00  61.00   0.00  100
  5  ω    -71.00 -33.00   0.38    0.40    -- -106.00  61.00  30.00  100
  6  ω   -116.00 -23.28   0.38    0.10    --  -42.67 -53.00 170.00  244
  7  ω   -116.00 -30.88   0.38    0.10    --  -42.67 -57.00  30.00  224
  8  ω   -121.00 -42.34   0.38    0.10    --  -42.67-178.00 -30.00  207
  9  ω    -37.00  25.70   0.38    0.10    --   42.67 -19.00  60.00  165
 10  ω     35.00  69.96   0.38    0.40    --  109.40 -61.00 -30.00   92
 11  ω     35.00  69.96   0.38    0.40    --  109.40 -61.00  30.00   92
 12  ω     35.00  69.96   0.38    0.40    --  109.40 -61.00  90.00   92
 13  ω     89.00 176.78   0.38    0.40    --  109.40  53.00 -44.00  231
 14  ω     79.00 176.66   0.38    0.40    --  109.40  84.00  72.00  257
 15  ω     79.00 176.66   0.38    0.40    --  109.40  88.00 175.00  257
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'XtaLAB Synergy, Single source at home/near, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0538980000
_diffrn_orient_matrix_UB_12      -0.0612813000
_diffrn_orient_matrix_UB_13      -0.0152752000
_diffrn_orient_matrix_UB_21      -0.1019196000
_diffrn_orient_matrix_UB_22      -0.0141506000
_diffrn_orient_matrix_UB_23      -0.0306167000
_diffrn_orient_matrix_UB_31      0.0558449000
_diffrn_orient_matrix_UB_32      0.0332474000
_diffrn_orient_matrix_UB_33      -0.0411642000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.673
_reflns_Friedel_fraction_full    0.866
_reflns_Friedel_fraction_max     0.797
_reflns_number_gt                12398
_reflns_number_total             13924
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.85a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.85a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.85a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.975
_refine_diff_density_min         -0.720
_refine_diff_density_rms         0.105
_refine_ls_abs_structure_details 
;
 Flack x determined using 4507 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.024(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     868
_refine_ls_number_reflns         13924
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0520
_refine_ls_restrained_S_all      1.062
_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)+(0.1133P)²+3.4193P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1559
_refine_ls_wR_factor_ref         0.1706
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C00G(H00G), C00N(H00N), C00P(H00P), C00S(H00S), C00U(H00U), C00V(H00V),
 C00Y(H00Y), C00Z(H00Z), C010(H010), C011(H011), C012(H012), C013(H013),
 C014(H014), C015(H015), C016(H016), C017(H017), C018(H018), C019(H019),
 C01A(H01A), C01B(H01B), C01C(H01C), C01E(H01E), C01F(H01F), C01G(H01G),
 C01H(H01H), C01J(H01J), C01K(H01K), C01L(H01L), C01M(H01M), C01N(H01N),
 C01O(H01O), C01P(H01P), C01Q(H01Q), C01S(H01S), C01T(H01T), C01U(H01U),
 C01W(H01W), C01X(H01X), C01Y(H01Y), C01Z(H01Z), C020(H020), C021(H021),
 C022(H022), C023(H023), C024(H024), C025(H025), C026(H026), C027(H027),
 C028(H028), C029(H029), C02A(H02A), C02B(H02B), C02C(H02C), C02D(H02D),
 C02E(H02E), C02F(H02F), C02G(H02G), C02H(H02H), C02I(H02I), C02J(H02J),
 C02K(H02K), C02L(H02L), C02M(H02M), C02N(H02N)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Ag01 Ag 0.71985(4) 0.39190(2) 0.28957(2) 0.04325(14) Uani 1 1 d . . . . .
P002 P 0.72208(16) 0.28286(7) 0.25289(6) 0.0439(3) Uani 1 1 d . . . . .
P003 P 0.57995(13) 0.41199(8) 0.35527(6) 0.0408(3) Uani 1 1 d . . . . .
P004 P 0.87820(13) 0.42586(8) 0.34378(6) 0.0400(3) Uani 1 1 d . . . . .
P005 P 0.70065(15) 0.43902(7) 0.20779(6) 0.0460(4) Uani 1 1 d . . . . .
C007 C 0.4469(6) 0.3705(3) 0.3505(3) 0.0493(16) Uani 1 1 d . . . . .
C008 C 0.5593(7) 0.4405(4) 0.1843(3) 0.059(2) Uani 1 1 d . . . . .
C009 C 0.9315(6) 0.3640(4) 0.3806(3) 0.0482(15) Uani 1 1 d . . . . .
C00A C 0.7240(7) 0.5320(3) 0.4470(2) 0.0486(14) Uani 1 1 d . . . . .
C00B C 0.6762(7) 0.2164(3) 0.2876(3) 0.0548(16) Uani 1 1 d . . . . .
C00C C 0.8289(5) 0.4881(3) 0.3824(2) 0.0385(12) Uani 1 1 d . . . . .
C00D C 0.7215(6) 0.4163(3) 0.4350(2) 0.0423(13) Uani 1 1 d . . . . .
C00E C 0.7601(5) 0.4791(3) 0.4202(2) 0.0420(14) Uani 1 1 d . . . . .
C00F C 0.8597(7) 0.2590(3) 0.2313(3) 0.0501(16) Uani 1 1 d . . . . .
C00G C 0.8962(7) 0.4220(4) 0.1574(3) 0.0593(19) Uani 1 1 d . . . . .
H00G H 0.914106 0.461022 0.168569 0.071 Uiso 1 1 calc R U . . .
C00H C 0.8425(8) 0.3049(4) 0.1219(3) 0.0579(19) Uani 1 1 d . . . . .
C00I C 0.6395(5) 0.3849(3) 0.4110(2) 0.0415(13) Uani 1 1 d . . . . .
C00J C 0.7530(7) 0.5920(3) 0.4326(3) 0.0533(17) Uani 1 1 d . . . . .
C00K C 0.5361(6) 0.4918(3) 0.3633(3) 0.0484(15) Uani 1 1 d . . . . .
C00L C 0.6277(6) 0.2821(3) 0.2026(3) 0.0484(15) Uani 1 1 d . . . . .
C00M C 0.7689(6) 0.3895(4) 0.4766(2) 0.0495(14) Uani 1 1 d . . . . .
C00N C 0.9896(6) 0.3726(5) 0.4211(3) 0.060(2) Uani 1 1 d . . . . .
H00N H 1.002077 0.412589 0.431677 0.072 Uiso 1 1 calc R U . . .
C00O C 0.6520(7) 0.3085(3) 0.1602(3) 0.0485(16) Uani 1 1 d . . . . .
C00P C 0.9482(7) 0.2992(4) 0.2383(3) 0.0580(18) Uani 1 1 d . . . . .
H00P H 0.936949 0.336168 0.253988 0.070 Uiso 1 1 calc R U . . .
C00Q C 1.0053(6) 0.4594(4) 0.3192(3) 0.0505(16) Uani 1 1 d . . . . .
C00R C 0.5705(8) 0.3106(4) 0.1239(3) 0.061(2) Uani 1 1 d . . . . .
C00S C 0.9731(7) 0.3893(6) 0.1317(3) 0.070(2) Uani 1 1 d . . . . .
H00S H 1.043118 0.406149 0.126580 0.084 Uiso 1 1 calc R U . . .
C00T C 0.7894(6) 0.3963(3) 0.1668(2) 0.0457(14) Uani 1 1 d . . . . .
C00U C 0.5170(7) 0.2603(4) 0.2109(3) 0.0610(19) Uani 1 1 d . . . . .
H00U H 0.498668 0.243798 0.239746 0.073 Uiso 1 1 calc R U . . .
C00V C 0.5548(9) 0.5329(4) 0.3270(3) 0.068(2) Uani 1 1 d . . . . .
H00V H 0.590872 0.519249 0.300340 0.082 Uiso 1 1 calc R U . . .
C00W C 0.7376(7) 0.3288(4) 0.4895(3) 0.0586(19) Uani 1 1 d . . . . .
C00X C 0.7648(7) 0.3372(3) 0.1504(2) 0.0486(15) Uani 1 1 d . . . . .
C00Y C 0.8559(7) 0.5493(4) 0.3688(3) 0.0553(18) Uani 1 1 d . . . . .
H00Y H 0.900141 0.555621 0.342697 0.066 Uiso 1 1 calc R U . . .
C00Z C 1.0892(8) 0.4827(7) 0.3467(4) 0.091(4) Uani 1 1 d . . . . .
H00Z H 1.082678 0.481166 0.378866 0.109 Uiso 1 1 calc R U . . .
C010 C 0.8189(10) 0.2463(4) 0.1026(3) 0.070(2) Uani 1 1 d . . . . .
H010 H 0.750026 0.227938 0.107680 0.084 Uiso 1 1 calc R U . . .
C011 C 0.6068(6) 0.3246(4) 0.4256(3) 0.0527(17) Uani 1 1 d . . . . .
H011 H 0.551153 0.303570 0.409640 0.063 Uiso 1 1 calc R U . . .
C012 C 0.9157(8) 0.3041(4) 0.3652(3) 0.0610(19) Uani 1 1 d . . . . .
H012 H 0.877674 0.296829 0.337572 0.073 Uiso 1 1 calc R U . . .
C013 C 0.6580(8) 0.2974(4) 0.4632(3) 0.0591(19) Uani 1 1 d . . . . .
H013 H 0.638997 0.257217 0.471358 0.071 Uiso 1 1 calc R U . . .
C014 C 1.0698(8) 0.2312(5) 0.1988(4) 0.077(3) Uani 1 1 d . . . . .
H014 H 1.140247 0.221842 0.187512 0.093 Uiso 1 1 calc R U . . .
C015 C 1.0520(8) 0.2845(5) 0.2222(3) 0.072(2) Uani 1 1 d . . . . .
H015 H 1.110922 0.311456 0.227299 0.087 Uiso 1 1 calc R U . . .
C016 C 0.8189(8) 0.5980(4) 0.3926(3) 0.0601(19) Uani 1 1 d . . . . .
H016 H 0.837473 0.637436 0.382375 0.072 Uiso 1 1 calc R U . . .
C017 C 0.4797(7) 0.5132(4) 0.4023(3) 0.063(2) Uani 1 1 d . . . . .
H017 H 0.466093 0.486609 0.427016 0.076 Uiso 1 1 calc R U . . .
C018 C 0.5345(10) 0.4552(4) 0.1386(4) 0.077(3) Uani 1 1 d . . . . .
H018 H 0.590674 0.464380 0.117432 0.092 Uiso 1 1 calc R U . . .
C019 C 0.6549(8) 0.5254(4) 0.4871(3) 0.065(2) Uani 1 1 d . . . . .
H019 H 0.634390 0.486272 0.497282 0.078 Uiso 1 1 calc R U . . .
C01A C 0.6706(10) 0.2238(4) 0.3352(3) 0.073(2) Uani 1 1 d . . . . .
H01A H 0.687935 0.261856 0.348246 0.087 Uiso 1 1 calc R U . . .
C01B C 0.8937(9) 0.3927(6) 0.5417(3) 0.075(2) Uani 1 1 d . . . . .
H01B H 0.945521 0.414037 0.559497 0.090 Uiso 1 1 calc R U . . .
C01C C 1.1913(10) 0.5145(6) 0.2805(5) 0.101(4) Uani 1 1 d . . . . .
H01C H 1.252840 0.533938 0.267479 0.121 Uiso 1 1 calc R U . . .
C01D C 0.9481(7) 0.3320(5) 0.1136(3) 0.066(2) Uani 1 1 d . . . . .
C01E C 0.8475(7) 0.4204(5) 0.5043(3) 0.065(2) Uani 1 1 d . . . . .
H01E H 0.868149 0.460606 0.496700 0.078 Uiso 1 1 calc R U . . .
C01F C 1.1094(12) 0.4924(7) 0.2523(4) 0.103(4) Uani 1 1 d . . . . .
H01F H 1.116039 0.495804 0.220211 0.123 Uiso 1 1 calc R U . . .
C01G C 0.8787(8) 0.2045(4) 0.2080(4) 0.066(2) Uani 1 1 d . . . . .
H01G H 0.820811 0.176853 0.202941 0.079 Uiso 1 1 calc R U . . .
C01H C 0.4391(8) 0.2634(5) 0.1772(4) 0.072(2) Uani 1 1 d . . . . .
H01H H 0.368073 0.248512 0.183336 0.086 Uiso 1 1 calc R U . . .
C01I C 0.7449(8) 0.5194(4) 0.2009(3) 0.067(2) Uani 1 1 d . . . . .
C01J C 0.6192(10) 0.5761(5) 0.5105(4) 0.084(3) Uani 1 1 d . . . . .
H01J H 0.574008 0.571174 0.536433 0.100 Uiso 1 1 calc R U . . .
C01K C 0.5211(12) 0.5926(5) 0.3299(4) 0.094(4) Uani 1 1 d . . . . .
H01K H 0.536521 0.619467 0.305536 0.112 Uiso 1 1 calc R U . . .
C01L C 0.3804(10) 0.2928(6) 0.0979(5) 0.090(4) Uani 1 1 d . . . . .
H01L H 0.308905 0.278265 0.103612 0.109 Uiso 1 1 calc R U . . .
C01M C 0.3611(9) 0.3790(7) 0.3798(6) 0.122(6) Uani 1 1 d . . . . .
H01M H 0.369335 0.406453 0.404376 0.147 Uiso 1 1 calc R U . . .
C01N C 1.1840(9) 0.5085(7) 0.3265(5) 0.100(4) Uani 1 1 d . . . . .
H01N H 1.242360 0.521605 0.345198 0.120 Uiso 1 1 calc R U . . .
C01O C 0.7881(9) 0.3007(5) 0.5287(3) 0.075(3) Uani 1 1 d . . . . .
H01O H 0.769154 0.260536 0.537042 0.090 Uiso 1 1 calc R U . . .
C01P C 0.5942(10) 0.3353(5) 0.0788(3) 0.074(3) Uani 1 1 d . . . . .
H01P H 0.665915 0.348361 0.071851 0.089 Uiso 1 1 calc R U . . .
C01Q C 0.7728(13) 0.5503(5) 0.2410(5) 0.095(3) Uani 1 1 d . . . . .
H01Q H 0.766359 0.529650 0.269201 0.114 Uiso 1 1 calc R U . . .
C01S C 0.4755(9) 0.4262(5) 0.2145(5) 0.081(3) Uani 1 1 d . . . . .
H01S H 0.494390 0.415993 0.244843 0.097 Uiso 1 1 calc R U . . .
C01T C 0.8977(13) 0.2165(6) 0.0765(4) 0.097(4) Uani 1 1 d . . . . .
H01T H 0.880832 0.178147 0.063773 0.116 Uiso 1 1 calc R U . . .
C01U C 1.0143(8) 0.4644(5) 0.2719(3) 0.069(2) Uani 1 1 d . . . . .
H01U H 0.958124 0.449357 0.252839 0.082 Uiso 1 1 calc R U . . .
C01V C 0.4621(8) 0.2887(5) 0.1327(4) 0.073(3) Uani 1 1 d . . . . .
C01W C 0.9840(9) 0.1913(5) 0.1921(4) 0.080(3) Uani 1 1 d . . . . .
H01W H 0.996668 0.154341 0.176435 0.096 Uiso 1 1 calc R U . . .
C01X C 0.4439(9) 0.5734(5) 0.4043(4) 0.080(3) Uani 1 1 d . . . . .
H01X H 0.405180 0.587357 0.430226 0.097 Uiso 1 1 calc R U . . .
C01Y C 0.6475(11) 0.1597(4) 0.2693(4) 0.083(3) Uani 1 1 d . . . . .
H01Y H 0.651974 0.152964 0.237450 0.099 Uiso 1 1 calc R U . . .
C01Z C 0.7150(10) 0.6433(4) 0.4583(3) 0.071(2) Uani 1 1 d . . . . .
H01Z H 0.735238 0.682949 0.449229 0.085 Uiso 1 1 calc R U . . .
C020 C 0.6486(12) 0.6354(5) 0.4964(4) 0.090(3) Uani 1 1 d . . . . .
H020 H 0.623280 0.669509 0.512924 0.108 Uiso 1 1 calc R U . . .
C021 C 0.4337(9) 0.3281(7) 0.3171(5) 0.105(5) Uani 1 1 d . . . . .
H021 H 0.491986 0.320886 0.296528 0.126 Uiso 1 1 calc R U . . .
C022 C 1.0296(8) 0.3240(6) 0.4465(4) 0.075(3) Uani 1 1 d . . . . .
H022 H 1.068799 0.331395 0.473758 0.090 Uiso 1 1 calc R U . . .
C023 C 0.4657(10) 0.6136(5) 0.3675(5) 0.095(4) Uani 1 1 d . . . . .
H023 H 0.442164 0.654477 0.368822 0.114 Uiso 1 1 calc R U . . .
C024 C 0.9567(10) 0.2547(5) 0.3909(4) 0.086(3) Uani 1 1 d . . . . .
H024 H 0.946379 0.214581 0.380214 0.103 Uiso 1 1 calc R U . . .
C025 C 0.4050(13) 0.3177(7) 0.0562(5) 0.109(5) Uani 1 1 d . . . . .
H025 H 0.349840 0.320413 0.033593 0.131 Uiso 1 1 calc R U . . .
C026 C 1.0008(12) 0.2416(8) 0.0685(4) 0.100(5) Uani 1 1 d . . . . .
H026 H 1.053137 0.219978 0.051072 0.120 Uiso 1 1 calc R U . . .
C027 C 1.0122(9) 0.2646(5) 0.4319(4) 0.079(3) Uani 1 1 d . . . . .
H027 H 1.037627 0.231433 0.449552 0.095 Uiso 1 1 calc R U . . .
C028 C 1.0263(10) 0.2991(7) 0.0864(3) 0.090(4) Uani 1 1 d . . . . .
H028 H 1.095710 0.316435 0.080535 0.108 Uiso 1 1 calc R U . . .
C029 C 0.3408(12) 0.4423(7) 0.1557(9) 0.142(9) Uani 1 1 d . . . . .
H029 H 0.266988 0.443493 0.146149 0.170 Uiso 1 1 calc R U . . .
C02A C 0.8647(10) 0.3327(6) 0.5540(3) 0.086(3) Uani 1 1 d . . . . .
H02A H 0.897854 0.314300 0.579688 0.104 Uiso 1 1 calc R U . . .
C02B C 0.5132(13) 0.3398(6) 0.0460(4) 0.098(4) Uani 1 1 d . . . . .
H02B H 0.528651 0.357269 0.017230 0.118 Uiso 1 1 calc R U . . .
C02C C 0.6117(13) 0.1121(4) 0.2990(6) 0.114(5) Uani 1 1 d . . . . .
H02C H 0.588675 0.074620 0.286543 0.136 Uiso 1 1 calc R U . . .
C02D C 0.6394(16) 0.1752(6) 0.3637(5) 0.112(5) Uani 1 1 d . . . . .
H02D H 0.638555 0.180636 0.395730 0.135 Uiso 1 1 calc R U . . .
C02E C 0.4217(15) 0.4558(6) 0.1249(6) 0.114(6) Uani 1 1 d . . . . .
H02E H 0.403003 0.465689 0.094463 0.137 Uiso 1 1 calc R U . . .
C02F C 0.8094(19) 0.6397(7) 0.2009(9) 0.165(10) Uani 1 1 d . . . . .
H02F H 0.828158 0.681356 0.201119 0.199 Uiso 1 1 calc R U . . .
C02G C 0.3657(10) 0.4261(7) 0.2026(7) 0.111(5) Uani 1 1 d . . . . .
H02G H 0.310309 0.416137 0.223832 0.133 Uiso 1 1 calc R U . . .
C02H C 0.6105(15) 0.1207(5) 0.3455(5) 0.115(5) Uani 1 1 d . . . . .
H02H H 0.589470 0.088489 0.365013 0.138 Uiso 1 1 calc R U . . .
C02I C 0.2476(9) 0.3075(7) 0.3389(6) 0.113(5) Uani 1 1 d . . . . .
H02I H 0.179406 0.288861 0.333072 0.136 Uiso 1 1 calc R U . . .
C02J C 0.808(2) 0.6082(7) 0.2412(7) 0.152(8) Uani 1 1 d . . . . .
H02J H 0.831964 0.626754 0.268646 0.182 Uiso 1 1 calc R U . . .
C02K C 0.7835(19) 0.6117(8) 0.1593(7) 0.163(9) Uani 1 1 d . . . . .
H02K H 0.787154 0.633649 0.131526 0.196 Uiso 1 1 calc R U . . .
C02L C 0.7519(16) 0.5504(6) 0.1597(5) 0.136(7) Uani 1 1 d . . . . .
H02L H 0.735480 0.530236 0.131972 0.163 Uiso 1 1 calc R U . . .
C02M C 0.2608(9) 0.3482(7) 0.3746(7) 0.127(6) Uani 1 1 d . . . . .
H02M H 0.202941 0.355205 0.395306 0.153 Uiso 1 1 calc R U . . .
C02N C 0.3379(14) 0.2954(11) 0.3121(7) 0.170(10) Uani 1 1 d . . . . .
H02N H 0.334257 0.264069 0.290026 0.204 Uiso 1 1 calc R U . . .
O1 O 1.2205(12) 0.4787(7) 0.4532(4) 0.151(5) Uani 1 1 d . . . . .
Cl2 Cl 1.1674(4) 0.5219(2) 0.48131(13) 0.1166(12) Uani 1 1 d . . . . .
O2 O 1.2339(19) 0.5526(10) 0.5099(7) 0.215(8) Uiso 1 1 d . . . . .
O3 O 1.061(2) 0.5497(13) 0.4611(9) 0.272(11) Uiso 1 1 d . . . . .
O5 O 1.121(2) 0.4837(12) 0.5172(9) 0.253(10) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag01 P002 2.5863(16) . ?
Ag01 P003 2.5682(17) . ?
Ag01 P004 2.5695(17) . ?
Ag01 P005 2.5761(19) . ?
P002 C00B 1.836(8) . ?
P002 C00F 1.841(8) . ?
P002 C00L 1.840(8) . ?
P003 C007 1.839(7) . ?
P003 C00I 1.853(7) . ?
P003 C00K 1.822(8) . ?
P004 C009 1.825(8) . ?
P004 C00C 1.845(7) . ?
P004 C00Q 1.835(7) . ?
P005 C008 1.829(8) . ?
P005 C00T 1.840(7) . ?
P005 C01I 1.831(8) . ?
C007 C01M 1.345(13) . ?
C007 C021 1.339(13) . ?
C008 C018 1.388(13) . ?
C008 C01S 1.365(15) . ?
C009 C00N 1.372(11) . ?
C009 C012 1.385(12) . ?
C00A C00E 1.445(10) . ?
C00A C00J 1.408(11) . ?
C00A C019 1.431(11) . ?
C00B C01A 1.380(13) . ?
C00B C01Y 1.380(12) . ?
C00C C00E 1.381(9) . ?
C00C C00Y 1.421(10) . ?
C00D C00E 1.498(9) . ?
C00D C00I 1.383(10) . ?
C00D C00M 1.447(10) . ?
C00F C00P 1.390(12) . ?
C00F C01G 1.376(12) . ?
C00G H00G 0.9300 . ?
C00G C00S 1.379(13) . ?
C00G C00T 1.426(11) . ?
C00H C00X 1.427(11) . ?
C00H C010 1.414(13) . ?
C00H C01D 1.419(14) . ?
C00I C011 1.427(10) . ?
C00J C016 1.403(12) . ?
C00J C01Z 1.411(11) . ?
C00K C00V 1.390(12) . ?
C00K C017 1.390(11) . ?
C00L C00O 1.380(11) . ?
C00L C00U 1.433(11) . ?
C00M C00W 1.416(11) . ?
C00M C01E 1.406(12) . ?
C00N H00N 0.9300 . ?
C00N C022 1.367(14) . ?
C00O C00R 1.432(11) . ?
C00O C00X 1.517(11) . ?
C00P H00P 0.9300 . ?
C00P C015 1.369(13) . ?
C00Q C00Z 1.378(13) . ?
C00Q C01U 1.368(11) . ?
C00R C01P 1.432(14) . ?
C00R C01V 1.410(15) . ?
C00S H00S 0.9300 . ?
C00S C01D 1.377(16) . ?
C00T C00X 1.395(10) . ?
C00U H00U 0.9300 . ?
C00U C01H 1.350(13) . ?
C00V H00V 0.9300 . ?
C00V C01K 1.356(14) . ?
C00W C013 1.395(13) . ?
C00W C01O 1.419(12) . ?
C00Y H00Y 0.9300 . ?
C00Y C016 1.335(12) . ?
C00Z H00Z 0.9300 . ?
C00Z C01N 1.397(13) . ?
C010 H010 0.9300 . ?
C010 C01T 1.372(14) . ?
C011 H011 0.9300 . ?
C011 C013 1.378(12) . ?
C012 H012 0.9300 . ?
C012 C024 1.391(13) . ?
C013 H013 0.9300 . ?
C014 H014 0.9300 . ?
C014 C015 1.352(16) . ?
C014 C01W 1.360(16) . ?
C015 H015 0.9300 . ?
C016 H016 0.9300 . ?
C017 H017 0.9300 . ?
C017 C01X 1.374(13) . ?
C018 H018 0.9300 . ?
C018 C02E 1.413(18) . ?
C019 H019 0.9300 . ?
C019 C01J 1.357(13) . ?
C01A H01A 0.9300 . ?
C01A C02D 1.385(15) . ?
C01B H01B 0.9300 . ?
C01B C01E 1.353(13) . ?
C01B C02A 1.389(17) . ?
C01C H01C 0.9300 . ?
C01C C01F 1.362(19) . ?
C01C C01N 1.333(19) . ?
C01D C028 1.416(14) . ?
C01E H01E 0.9300 . ?
C01F H01F 0.9300 . ?
C01F C01U 1.412(13) . ?
C01G H01G 0.9300 . ?
C01G C01W 1.376(13) . ?
C01H H01H 0.9300 . ?
C01H C01V 1.420(16) . ?
C01I C01Q 1.377(15) . ?
C01I C02L 1.365(16) . ?
C01J H01J 0.9300 . ?
C01J C020 1.390(16) . ?
C01K H01K 0.9300 . ?
C01K C023 1.350(18) . ?
C01L H01L 0.9300 . ?
C01L C01V 1.408(14) . ?
C01L C025 1.35(2) . ?
C01M H01M 0.9300 . ?
C01M C02M 1.386(16) . ?
C01N H01N 0.9300 . ?
C01O H01O 0.9300 . ?
C01O C02A 1.365(17) . ?
C01P H01P 0.9300 . ?
C01P C02B 1.360(15) . ?
C01Q H01Q 0.9300 . ?
C01Q C02J 1.325(17) . ?
C01S H01S 0.9300 . ?
C01S C02G 1.364(15) . ?
C01T H01T 0.9300 . ?
C01T C026 1.37(2) . ?
C01U H01U 0.9300 . ?
C01W H01W 0.9300 . ?
C01X H01X 0.9300 . ?
C01X C023 1.397(17) . ?
C01Y H01Y 0.9300 . ?
C01Y C02C 1.406(15) . ?
C01Z H01Z 0.9300 . ?
C01Z C020 1.367(15) . ?
C020 H020 0.9300 . ?
C021 H021 0.9300 . ?
C021 C02N 1.361(16) . ?
C022 H022 0.9300 . ?
C022 C027 1.369(17) . ?
C023 H023 0.9300 . ?
C024 H024 0.9300 . ?
C024 C027 1.374(16) . ?
C025 H025 0.9300 . ?
C025 C02B 1.42(2) . ?
C026 H026 0.9300 . ?
C026 C028 1.38(2) . ?
C027 H027 0.9300 . ?
C028 H028 0.9300 . ?
C029 H029 0.9300 . ?
C029 C02E 1.35(3) . ?
C029 C02G 1.43(3) . ?
C02A H02A 0.9300 . ?
C02B H02B 0.9300 . ?
C02C H02C 0.9300 . ?
C02C C02H 1.35(2) . ?
C02D H02D 0.9300 . ?
C02D C02H 1.337(19) . ?
C02E H02E 0.9300 . ?
C02F H02F 0.9300 . ?
C02F C02J 1.35(3) . ?
C02F C02K 1.38(3) . ?
C02G H02G 0.9300 . ?
C02H H02H 0.9300 . ?
C02I H02I 0.9300 . ?
C02I C02M 1.36(2) . ?
C02I C02N 1.36(2) . ?
C02J H02J 0.9300 . ?
C02K H02K 0.9300 . ?
C02K C02L 1.38(2) . ?
C02L H02L 0.9300 . ?
C02M H02M 0.9300 . ?
C02N H02N 0.9300 . ?
O1 Cl2 1.391(11) . ?
Cl2 O2 1.33(2) . ?
Cl2 O3 1.53(3) . ?
Cl2 O5 1.43(3) . ?

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
_geom_angle_publ_flag
P003 Ag01 P002 117.52(6) . . ?
P003 Ag01 P004 89.42(5) . . ?
P003 Ag01 P005 123.17(6) . . ?
P004 Ag01 P002 120.10(6) . . ?
P004 Ag01 P005 120.54(6) . . ?
P005 Ag01 P002 89.39(5) . . ?
C00B P002 Ag01 119.3(3) . . ?
C00B P002 C00F 103.5(3) . . ?
C00B P002 C00L 103.6(4) . . ?
C00F P002 Ag01 113.8(3) . . ?
C00L P002 Ag01 108.9(2) . . ?
C00L P002 C00F 106.6(3) . . ?
C007 P003 Ag01 115.6(2) . . ?
C007 P003 C00I 104.2(3) . . ?
C00I P003 Ag01 109.3(2) . . ?
C00K P003 Ag01 116.3(3) . . ?
C00K P003 C007 102.8(3) . . ?
C00K P003 C00I 107.6(3) . . ?
C009 P004 Ag01 113.8(3) . . ?
C009 P004 C00C 107.4(3) . . ?
C009 P004 C00Q 102.8(3) . . ?
C00C P004 Ag01 109.7(2) . . ?
C00Q P004 Ag01 119.8(3) . . ?
C00Q P004 C00C 102.2(3) . . ?
C008 P005 Ag01 115.3(3) . . ?
C008 P005 C00T 108.1(3) . . ?
C008 P005 C01I 102.3(4) . . ?
C00T P005 Ag01 109.5(2) . . ?
C01I P005 Ag01 116.7(3) . . ?
C01I P005 C00T 103.9(4) . . ?
C01M C007 P003 123.7(7) . . ?
C021 C007 P003 119.4(6) . . ?
C021 C007 C01M 116.9(9) . . ?
C018 C008 P005 123.6(8) . . ?
C01S C008 P005 116.6(7) . . ?
C01S C008 C018 119.8(9) . . ?
C00N C009 P004 125.0(7) . . ?
C00N C009 C012 118.0(8) . . ?
C012 C009 P004 116.9(6) . . ?
C00J C00A C00E 120.0(6) . . ?
C00J C00A C019 118.2(7) . . ?
C019 C00A C00E 121.7(7) . . ?
C01A C00B P002 117.7(6) . . ?
C01A C00B C01Y 118.0(8) . . ?
C01Y C00B P002 124.4(7) . . ?
C00E C00C P004 124.5(5) . . ?
C00E C00C C00Y 119.0(6) . . ?
C00Y C00C P004 116.2(5) . . ?
C00I C00D C00E 121.7(6) . . ?
C00I C00D C00M 119.7(6) . . ?
C00M C00D C00E 118.5(6) . . ?
C00A C00E C00D 118.3(6) . . ?
C00C C00E C00A 119.3(6) . . ?
C00C C00E C00D 122.4(6) . . ?
C00P C00F P002 117.6(6) . . ?
C01G C00F P002 123.7(7) . . ?
C01G C00F C00P 118.6(7) . . ?
C00S C00G H00G 119.8 . . ?
C00S C00G C00T 120.4(9) . . ?
C00T C00G H00G 119.8 . . ?
C010 C00H C00X 122.3(9) . . ?
C010 C00H C01D 119.0(9) . . ?
C01D C00H C00X 118.7(8) . . ?
C00D C00I P003 123.5(5) . . ?
C00D C00I C011 120.0(6) . . ?
C011 C00I P003 115.9(5) . . ?
C00A C00J C01Z 119.5(7) . . ?
C016 C00J C00A 117.8(7) . . ?
C016 C00J C01Z 122.7(8) . . ?
C00V C00K P003 117.7(6) . . ?
C017 C00K P003 124.0(6) . . ?
C017 C00K C00V 118.2(8) . . ?
C00O C00L P002 124.2(6) . . ?
C00O C00L C00U 118.8(7) . . ?
C00U C00L P002 116.4(6) . . ?
C00W C00M C00D 118.9(7) . . ?
C01E C00M C00D 122.8(7) . . ?
C01E C00M C00W 118.3(7) . . ?
C009 C00N H00N 119.1 . . ?
C022 C00N C009 121.9(10) . . ?
C022 C00N H00N 119.1 . . ?
C00L C00O C00R 120.9(8) . . ?
C00L C00O C00X 121.5(6) . . ?
C00R C00O C00X 117.7(7) . . ?
C00F C00P H00P 119.9 . . ?
C015 C00P C00F 120.3(8) . . ?
C015 C00P H00P 119.9 . . ?
C00Z C00Q P004 122.2(6) . . ?
C01U C00Q P004 118.8(6) . . ?
C01U C00Q C00Z 119.0(8) . . ?
C00O C00R C01P 122.4(9) . . ?
C01V C00R C00O 119.4(9) . . ?
C01V C00R C01P 118.1(9) . . ?
C00G C00S H00S 119.4 . . ?
C01D C00S C00G 121.2(9) . . ?
C01D C00S H00S 119.4 . . ?
C00G C00T P005 116.6(6) . . ?
C00X C00T P005 123.7(6) . . ?
C00X C00T C00G 119.0(7) . . ?
C00L C00U H00U 119.7 . . ?
C01H C00U C00L 120.5(9) . . ?
C01H C00U H00U 119.7 . . ?
C00K C00V H00V 119.5 . . ?
C01K C00V C00K 121.0(10) . . ?
C01K C00V H00V 119.5 . . ?
C00M C00W C01O 119.5(9) . . ?
C013 C00W C00M 119.5(7) . . ?
C013 C00W C01O 121.0(8) . . ?
C00H C00X C00O 119.4(7) . . ?
C00T C00X C00H 120.3(8) . . ?
C00T C00X C00O 120.2(6) . . ?
C00C C00Y H00Y 119.4 . . ?
C016 C00Y C00C 121.3(7) . . ?
C016 C00Y H00Y 119.4 . . ?
C00Q C00Z H00Z 119.9 . . ?
C00Q C00Z C01N 120.3(10) . . ?
C01N C00Z H00Z 119.9 . . ?
C00H C010 H010 120.1 . . ?
C01T C010 C00H 119.9(12) . . ?
C01T C010 H010 120.1 . . ?
C00I C011 H011 120.1 . . ?
C013 C011 C00I 119.9(7) . . ?
C013 C011 H011 120.1 . . ?
C009 C012 H012 120.0 . . ?
C009 C012 C024 120.0(9) . . ?
C024 C012 H012 120.0 . . ?
C00W C013 H013 119.2 . . ?
C011 C013 C00W 121.6(7) . . ?
C011 C013 H013 119.2 . . ?
C015 C014 H014 120.2 . . ?
C015 C014 C01W 119.6(9) . . ?
C01W C014 H014 120.2 . . ?
C00P C015 H015 119.6 . . ?
C014 C015 C00P 120.7(10) . . ?
C014 C015 H015 119.6 . . ?
C00J C016 H016 118.8 . . ?
C00Y C016 C00J 122.5(7) . . ?
C00Y C016 H016 118.8 . . ?
C00K C017 H017 119.9 . . ?
C01X C017 C00K 120.2(9) . . ?
C01X C017 H017 119.9 . . ?
C008 C018 H018 120.9 . . ?
C008 C018 C02E 118.2(14) . . ?
C02E C018 H018 120.9 . . ?
C00A C019 H019 119.9 . . ?
C01J C019 C00A 120.2(9) . . ?
C01J C019 H019 119.9 . . ?
C00B C01A H01A 119.5 . . ?
C00B C01A C02D 120.9(10) . . ?
C02D C01A H01A 119.5 . . ?
C01E C01B H01B 119.5 . . ?
C01E C01B C02A 121.0(10) . . ?
C02A C01B H01B 119.5 . . ?
C01F C01C H01C 119.7 . . ?
C01N C01C H01C 119.7 . . ?
C01N C01C C01F 120.6(9) . . ?
C00S C01D C00H 120.3(8) . . ?
C00S C01D C028 121.1(11) . . ?
C028 C01D C00H 118.6(11) . . ?
C00M C01E H01E 119.5 . . ?
C01B C01E C00M 121.0(10) . . ?
C01B C01E H01E 119.5 . . ?
C01C C01F H01F 120.1 . . ?
C01C C01F C01U 119.9(10) . . ?
C01U C01F H01F 120.1 . . ?
C00F C01G H01G 120.2 . . ?
C00F C01G C01W 119.6(10) . . ?
C01W C01G H01G 120.2 . . ?
C00U C01H H01H 118.9 . . ?
C00U C01H C01V 122.1(9) . . ?
C01V C01H H01H 118.9 . . ?
C01Q C01I P005 116.2(8) . . ?
C02L C01I P005 125.4(8) . . ?
C02L C01I C01Q 118.4(10) . . ?
C019 C01J H01J 119.3 . . ?
C019 C01J C020 121.4(9) . . ?
C020 C01J H01J 119.3 . . ?
C00V C01K H01K 119.4 . . ?
C023 C01K C00V 121.2(11) . . ?
C023 C01K H01K 119.4 . . ?
C01V C01L H01L 119.8 . . ?
C025 C01L H01L 119.8 . . ?
C025 C01L C01V 120.4(13) . . ?
C007 C01M H01M 118.9 . . ?
C007 C01M C02M 122.3(12) . . ?
C02M C01M H01M 118.9 . . ?
C00Z C01N H01N 119.8 . . ?
C01C C01N C00Z 120.5(12) . . ?
C01C C01N H01N 119.8 . . ?
C00W C01O H01O 120.1 . . ?
C02A C01O C00W 119.7(10) . . ?
C02A C01O H01O 120.1 . . ?
C00R C01P H01P 119.5 . . ?
C02B C01P C00R 120.9(12) . . ?
C02B C01P H01P 119.5 . . ?
C01I C01Q H01Q 118.6 . . ?
C02J C01Q C01I 122.9(14) . . ?
C02J C01Q H01Q 118.6 . . ?
C008 C01S H01S 118.1 . . ?
C02G C01S C008 123.8(14) . . ?
C02G C01S H01S 118.1 . . ?
C010 C01T H01T 119.0 . . ?
C026 C01T C010 122.1(13) . . ?
C026 C01T H01T 119.0 . . ?
C00Q C01U C01F 119.7(10) . . ?
C00Q C01U H01U 120.1 . . ?
C01F C01U H01U 120.1 . . ?
C00R C01V C01H 118.2(8) . . ?
C01L C01V C00R 119.8(11) . . ?
C01L C01V C01H 122.1(11) . . ?
C014 C01W C01G 121.2(10) . . ?
C014 C01W H01W 119.4 . . ?
C01G C01W H01W 119.4 . . ?
C017 C01X H01X 120.0 . . ?
C017 C01X C023 120.0(10) . . ?
C023 C01X H01X 120.0 . . ?
C00B C01Y H01Y 120.1 . . ?
C00B C01Y C02C 119.8(10) . . ?
C02C C01Y H01Y 120.1 . . ?
C00J C01Z H01Z 119.6 . . ?
C020 C01Z C00J 120.7(9) . . ?
C020 C01Z H01Z 119.6 . . ?
C01J C020 H020 120.1 . . ?
C01Z C020 C01J 119.9(9) . . ?
C01Z C020 H020 120.1 . . ?
C007 C021 H021 118.9 . . ?
C007 C021 C02N 122.2(11) . . ?
C02N C021 H021 118.9 . . ?
C00N C022 H022 119.8 . . ?
C00N C022 C027 120.4(9) . . ?
C027 C022 H022 119.8 . . ?
C01K C023 C01X 119.4(9) . . ?
C01K C023 H023 120.3 . . ?
C01X C023 H023 120.3 . . ?
C012 C024 H024 119.6 . . ?
C027 C024 C012 120.7(11) . . ?
C027 C024 H024 119.6 . . ?
C01L C025 H025 119.3 . . ?
C01L C025 C02B 121.3(11) . . ?
C02B C025 H025 119.3 . . ?
C01T C026 H026 120.2 . . ?
C01T C026 C028 119.6(11) . . ?
C028 C026 H026 120.2 . . ?
C022 C027 C024 118.9(9) . . ?
C022 C027 H027 120.6 . . ?
C024 C027 H027 120.6 . . ?
C01D C028 H028 119.6 . . ?
C026 C028 C01D 120.8(13) . . ?
C026 C028 H028 119.6 . . ?
C02E C029 H029 119.2 . . ?
C02E C029 C02G 121.6(12) . . ?
C02G C029 H029 119.2 . . ?
C01B C02A H02A 119.7 . . ?
C01O C02A C01B 120.6(9) . . ?
C01O C02A H02A 119.7 . . ?
C01P C02B C025 119.4(13) . . ?
C01P C02B H02B 120.3 . . ?
C025 C02B H02B 120.3 . . ?
C01Y C02C H02C 119.8 . . ?
C02H C02C C01Y 120.3(11) . . ?
C02H C02C H02C 119.8 . . ?
C01A C02D H02D 119.7 . . ?
C02H C02D C01A 120.6(12) . . ?
C02H C02D H02D 119.7 . . ?
C018 C02E H02E 119.7 . . ?
C029 C02E C018 120.6(14) . . ?
C029 C02E H02E 119.7 . . ?
C02J C02F H02F 119.2 . . ?
C02J C02F C02K 121.7(13) . . ?
C02K C02F H02F 119.2 . . ?
C01S C02G C029 116.1(16) . . ?
C01S C02G H02G 121.9 . . ?
C029 C02G H02G 121.9 . . ?
C02C C02H H02H 119.8 . . ?
C02D C02H C02C 120.3(10) . . ?
C02D C02H H02H 119.8 . . ?
C02M C02I H02I 121.3 . . ?
C02N C02I H02I 121.3 . . ?
C02N C02I C02M 117.4(10) . . ?
C01Q C02J C02F 118.6(15) . . ?
C01Q C02J H02J 120.7 . . ?
C02F C02J H02J 120.7 . . ?
C02F C02K H02K 120.8 . . ?
C02F C02K C02L 118.5(15) . . ?
C02L C02K H02K 120.8 . . ?
C01I C02L C02K 119.8(15) . . ?
C01I C02L H02L 120.1 . . ?
C02K C02L H02L 120.1 . . ?
C01M C02M H02M 120.2 . . ?
C02I C02M C01M 119.6(11) . . ?
C02I C02M H02M 120.2 . . ?
C021 C02N H02N 119.5 . . ?
C02I C02N C021 121.1(13) . . ?
C02I C02N H02N 119.5 . . ?
O1 Cl2 O3 115.3(12) . . ?
O1 Cl2 O5 102.0(13) . . ?
O2 Cl2 O1 114.9(11) . . ?
O2 Cl2 O3 122.9(14) . . ?
O2 Cl2 O5 94.3(13) . . ?
O5 Cl2 O3 100.3(15) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag01 P002 C00B C01A -17.1(9) . . . . ?
Ag01 P002 C00B C01Y 163.3(8) . . . . ?
Ag01 P002 C00F C00P 2.8(7) . . . . ?
Ag01 P002 C00F C01G -175.8(6) . . . . ?
Ag01 P002 C00L C00O 75.4(6) . . . . ?
Ag01 P002 C00L C00U -95.4(6) . . . . ?
Ag01 P003 C007 C01M -174.9(11) . . . . ?
Ag01 P003 C007 C021 7.0(11) . . . . ?
Ag01 P003 C00I C00D 75.4(6) . . . . ?
Ag01 P003 C00I C011 -96.5(5) . . . . ?
Ag01 P003 C00K C00V 17.4(8) . . . . ?
Ag01 P003 C00K C017 -166.4(6) . . . . ?
Ag01 P004 C009 C00N -159.2(6) . . . . ?
Ag01 P004 C009 C012 23.6(7) . . . . ?
Ag01 P004 C00C C00E 75.3(6) . . . . ?
Ag01 P004 C00C C00Y -98.1(5) . . . . ?
Ag01 P004 C00Q C00Z 175.0(9) . . . . ?
Ag01 P004 C00Q C01U -1.6(9) . . . . ?
Ag01 P005 C008 C018 -169.8(6) . . . . ?
Ag01 P005 C008 C01S 10.3(8) . . . . ?
Ag01 P005 C00T C00G -96.7(5) . . . . ?
Ag01 P005 C00T C00X 73.6(6) . . . . ?
Ag01 P005 C01I C01Q -7.2(11) . . . . ?
Ag01 P005 C01I C02L 172.9(12) . . . . ?
P002 C00B C01A C02D -178.3(11) . . . . ?
P002 C00B C01Y C02C -179.0(10) . . . . ?
P002 C00F C00P C015 -178.6(7) . . . . ?
P002 C00F C01G C01W 178.4(8) . . . . ?
P002 C00L C00O C00R -174.6(5) . . . . ?
P002 C00L C00O C00X 4.4(9) . . . . ?
P002 C00L C00U C01H 173.8(7) . . . . ?
P003 C007 C01M C02M 178.3(14) . . . . ?
P003 C007 C021 C02N 179.1(18) . . . . ?
P003 C00I C011 C013 171.5(6) . . . . ?
P003 C00K C00V C01K 177.8(10) . . . . ?
P003 C00K C017 C01X -176.2(8) . . . . ?
P004 C009 C00N C022 -178.3(7) . . . . ?
P004 C009 C012 C024 178.4(8) . . . . ?
P004 C00C C00E C00A -177.9(5) . . . . ?
P004 C00C C00E C00D 2.6(10) . . . . ?
P004 C00C C00Y C016 176.0(7) . . . . ?
P004 C00Q C00Z C01N -179.2(11) . . . . ?
P004 C00Q C01U C01F 177.4(9) . . . . ?
P005 C008 C018 C02E -178.8(8) . . . . ?
P005 C008 C01S C02G 179.0(9) . . . . ?
P005 C00T C00X C00H -174.4(5) . . . . ?
P005 C00T C00X C00O 9.6(9) . . . . ?
P005 C01I C01Q C02J 178.6(16) . . . . ?
P005 C01I C02L C02K 178.1(15) . . . . ?
C007 P003 C00I C00D -160.5(6) . . . . ?
C007 P003 C00I C011 27.7(6) . . . . ?
C007 P003 C00K C00V -109.9(7) . . . . ?
C007 P003 C00K C017 66.2(8) . . . . ?
C007 C01M C02M C02I 0(3) . . . . ?
C007 C021 C02N C02I 5(4) . . . . ?
C008 P005 C00T C00G 136.9(6) . . . . ?
C008 P005 C00T C00X -52.8(7) . . . . ?
C008 P005 C01I C01Q 119.6(10) . . . . ?
C008 P005 C01I C02L -60.3(14) . . . . ?
C008 C018 C02E C029 -0.2(17) . . . . ?
C008 C01S C02G C029 -0.2(18) . . . . ?
C009 P004 C00C C00E -48.8(6) . . . . ?
C009 P004 C00C C00Y 137.8(6) . . . . ?
C009 P004 C00Q C00Z -57.6(10) . . . . ?
C009 P004 C00Q C01U 125.8(8) . . . . ?
C009 C00N C022 C027 -0.2(15) . . . . ?
C009 C012 C024 C027 0.6(17) . . . . ?
C00A C00J C016 C00Y -1.3(13) . . . . ?
C00A C00J C01Z C020 -1.2(15) . . . . ?
C00A C019 C01J C020 -0.3(19) . . . . ?
C00B P002 C00F C00P -128.3(6) . . . . ?
C00B P002 C00F C01G 53.2(8) . . . . ?
C00B P002 C00L C00O -156.6(6) . . . . ?
C00B P002 C00L C00U 32.6(6) . . . . ?
C00B C01A C02D C02H -2(2) . . . . ?
C00B C01Y C02C C02H -3(2) . . . . ?
C00C P004 C009 C00N -37.6(7) . . . . ?
C00C P004 C009 C012 145.2(6) . . . . ?
C00C P004 C00Q C00Z 53.6(10) . . . . ?
C00C P004 C00Q C01U -122.9(8) . . . . ?
C00C C00Y C016 C00J 0.8(14) . . . . ?
C00D C00I C011 C013 -0.7(11) . . . . ?
C00D C00M C00W C013 -3.1(11) . . . . ?
C00D C00M C00W C01O 176.5(8) . . . . ?
C00D C00M C01E C01B -177.0(8) . . . . ?
C00E C00A C00J C016 -1.2(12) . . . . ?
C00E C00A C00J C01Z 178.4(8) . . . . ?
C00E C00A C019 C01J -177.6(10) . . . . ?
C00E C00C C00Y C016 2.2(12) . . . . ?
C00E C00D C00I P003 7.0(9) . . . . ?
C00E C00D C00I C011 178.5(6) . . . . ?
C00E C00D C00M C00W -176.5(6) . . . . ?
C00E C00D C00M C01E 1.5(10) . . . . ?
C00F P002 C00B C01A 110.6(8) . . . . ?
C00F P002 C00B C01Y -69.1(10) . . . . ?
C00F P002 C00L C00O -47.7(7) . . . . ?
C00F P002 C00L C00U 141.5(6) . . . . ?
C00F C00P C015 C014 0.7(14) . . . . ?
C00F C01G C01W C014 -0.3(16) . . . . ?
C00G C00S C01D C00H -1.3(13) . . . . ?
C00G C00S C01D C028 178.5(8) . . . . ?
C00G C00T C00X C00H -4.4(10) . . . . ?
C00G C00T C00X C00O 179.7(6) . . . . ?
C00H C010 C01T C026 0.6(16) . . . . ?
C00H C01D C028 C026 -0.4(14) . . . . ?
C00I P003 C007 C01M 65.1(12) . . . . ?
C00I P003 C007 C021 -113.1(10) . . . . ?
C00I P003 C00K C00V 140.4(7) . . . . ?
C00I P003 C00K C017 -43.4(8) . . . . ?
C00I C00D C00E C00A 104.9(8) . . . . ?
C00I C00D C00E C00C -75.6(9) . . . . ?
C00I C00D C00M C00W 5.9(10) . . . . ?
C00I C00D C00M C01E -176.0(7) . . . . ?
C00I C011 C013 C00W 3.5(12) . . . . ?
C00J C00A C00E C00C 4.2(11) . . . . ?
C00J C00A C00E C00D -176.3(7) . . . . ?
C00J C00A C019 C01J -0.2(15) . . . . ?
C00J C01Z C020 C01J 1(2) . . . . ?
C00K P003 C007 C01M -47.0(12) . . . . ?
C00K P003 C007 C021 134.8(10) . . . . ?
C00K P003 C00I C00D -51.9(6) . . . . ?
C00K P003 C00I C011 136.3(5) . . . . ?
C00K C00V C01K C023 -2(2) . . . . ?
C00K C017 C01X C023 -1.0(17) . . . . ?
C00L P002 C00B C01A -138.3(8) . . . . ?
C00L P002 C00B C01Y 42.1(10) . . . . ?
C00L P002 C00F C00P 122.8(6) . . . . ?
C00L P002 C00F C01G -55.8(8) . . . . ?
C00L C00O C00R C01P -177.3(7) . . . . ?
C00L C00O C00R C01V 3.9(11) . . . . ?
C00L C00O C00X C00H 104.7(8) . . . . ?
C00L C00O C00X C00T -79.3(8) . . . . ?
C00L C00U C01H C01V -0.7(14) . . . . ?
C00M C00D C00E C00A -72.6(8) . . . . ?
C00M C00D C00E C00C 106.9(8) . . . . ?
C00M C00D C00I P003 -175.5(5) . . . . ?
C00M C00D C00I C011 -4.0(10) . . . . ?
C00M C00W C013 C011 -1.5(12) . . . . ?
C00M C00W C01O C02A 1.2(14) . . . . ?
C00N C009 C012 C024 1.0(13) . . . . ?
C00N C022 C027 C024 1.7(17) . . . . ?
C00O C00L C00U C01H 2.5(12) . . . . ?
C00O C00R C01P C02B -176.2(9) . . . . ?
C00O C00R C01V C01H -2.0(12) . . . . ?
C00O C00R C01V C01L 177.5(8) . . . . ?
C00P C00F C01G C01W -0.2(13) . . . . ?
C00Q P004 C009 C00N 69.7(7) . . . . ?
C00Q P004 C009 C012 -107.5(7) . . . . ?
C00Q P004 C00C C00E -156.6(6) . . . . ?
C00Q P004 C00C C00Y 30.0(6) . . . . ?
C00Q C00Z C01N C01C 4(2) . . . . ?
C00R C00O C00X C00H -76.3(8) . . . . ?
C00R C00O C00X C00T 99.7(8) . . . . ?
C00R C01P C02B C025 -2.3(17) . . . . ?
C00S C00G C00T P005 171.9(6) . . . . ?
C00S C00G C00T C00X 1.2(10) . . . . ?
C00S C01D C028 C026 179.8(9) . . . . ?
C00T P005 C008 C018 -46.9(8) . . . . ?
C00T P005 C008 C01S 133.3(7) . . . . ?
C00T P005 C01I C01Q -127.9(10) . . . . ?
C00T P005 C01I C02L 52.2(14) . . . . ?
C00T C00G C00S C01D 1.7(12) . . . . ?
C00U C00L C00O C00R -4.0(10) . . . . ?
C00U C00L C00O C00X 175.0(6) . . . . ?
C00U C01H C01V C00R 0.5(14) . . . . ?
C00U C01H C01V C01L -179.0(10) . . . . ?
C00V C00K C017 C01X 0.0(14) . . . . ?
C00V C01K C023 C01X 1(2) . . . . ?
C00W C00M C01E C01B 1.1(13) . . . . ?
C00W C01O C02A C01B 0.0(16) . . . . ?
C00X C00H C010 C01T -178.3(8) . . . . ?
C00X C00H C01D C00S -1.9(11) . . . . ?
C00X C00H C01D C028 178.3(8) . . . . ?
C00X C00O C00R C01P 3.6(11) . . . . ?
C00X C00O C00R C01V -175.2(7) . . . . ?
C00Y C00C C00E C00A -4.6(10) . . . . ?
C00Y C00C C00E C00D 175.9(7) . . . . ?
C00Z C00Q C01U C01F 0.7(17) . . . . ?
C010 C00H C00X C00O -0.7(11) . . . . ?
C010 C00H C00X C00T -176.7(7) . . . . ?
C010 C00H C01D C00S 179.5(8) . . . . ?
C010 C00H C01D C028 -0.3(12) . . . . ?
C010 C01T C026 C028 -1.2(18) . . . . ?
C012 C009 C00N C022 -1.2(12) . . . . ?
C012 C024 C027 C022 -1.9(18) . . . . ?
C013 C00W C01O C02A -179.2(9) . . . . ?
C015 C014 C01W C01G 1.0(17) . . . . ?
C016 C00J C01Z C020 178.4(11) . . . . ?
C017 C00K C00V C01K 1.5(15) . . . . ?
C017 C01X C023 C01K 0.6(19) . . . . ?
C018 C008 C01S C02G -0.9(15) . . . . ?
C019 C00A C00E C00C -178.4(8) . . . . ?
C019 C00A C00E C00D 1.1(11) . . . . ?
C019 C00A C00J C016 -178.7(8) . . . . ?
C019 C00A C00J C01Z 0.9(13) . . . . ?
C019 C01J C020 C01Z 0(2) . . . . ?
C01A C00B C01Y C02C 1.4(18) . . . . ?
C01A C02D C02H C02C 0(3) . . . . ?
C01C C01F C01U C00Q 0(2) . . . . ?
C01D C00H C00X C00O -179.3(7) . . . . ?
C01D C00H C00X C00T 4.7(10) . . . . ?
C01D C00H C010 C01T 0.2(13) . . . . ?
C01E C00M C00W C013 178.7(8) . . . . ?
C01E C00M C00W C01O -1.7(12) . . . . ?
C01E C01B C02A C01O -0.6(17) . . . . ?
C01F C01C C01N C00Z -4(2) . . . . ?
C01G C00F C00P C015 0.0(13) . . . . ?
C01I P005 C008 C018 62.4(8) . . . . ?
C01I P005 C008 C01S -117.5(7) . . . . ?
C01I P005 C00T C00G 28.7(6) . . . . ?
C01I P005 C00T C00X -161.0(6) . . . . ?
C01I C01Q C02J C02F 5(3) . . . . ?
C01L C025 C02B C01P 1(2) . . . . ?
C01M C007 C021 C02N 1(3) . . . . ?
C01N C01C C01F C01U 2(2) . . . . ?
C01O C00W C013 C011 178.9(8) . . . . ?
C01P C00R C01V C01H 179.1(8) . . . . ?
C01P C00R C01V C01L -1.4(13) . . . . ?
C01Q C01I C02L C02K -2(3) . . . . ?
C01S C008 C018 C02E 1.0(13) . . . . ?
C01T C026 C028 C01D 1.1(17) . . . . ?
C01U C00Q C00Z C01N -2.7(19) . . . . ?
C01V C00R C01P C02B 2.6(13) . . . . ?
C01V C01L C025 C02B 1(2) . . . . ?
C01W C014 C015 C00P -1.1(16) . . . . ?
C01Y C00B C01A C02D 1.3(18) . . . . ?
C01Y C02C C02H C02D 3(3) . . . . ?
C01Z C00J C016 C00Y 179.1(9) . . . . ?
C021 C007 C01M C02M -3(2) . . . . ?
C025 C01L C01V C00R -0.2(17) . . . . ?
C025 C01L C01V C01H 179.3(11) . . . . ?
C02A C01B C01E C00M 0.0(15) . . . . ?
C02E C029 C02G C01S 1(2) . . . . ?
C02F C02K C02L C01I 1(3) . . . . ?
C02G C029 C02E C018 -1(2) . . . . ?
C02J C02F C02K C02L 2(4) . . . . ?
C02K C02F C02J C01Q -5(4) . . . . ?
C02L C01I C01Q C02J -1(2) . . . . ?
C02M C02I C02N C021 -8(4) . . . . ?
C02N C02I C02M C01M 5(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.192
_oxdiff_exptl_absorpt_empirical_full_min 0.839

loop_
_publcif_info_exptl_table_extra_item
sin_theta_over_lambda_max

loop_
_publcif_info_exptl_table_header_item
?



_publcif_funding_html            
;
;
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_PTC-374(lambda)
_database_code_depnum_ccdc_archive 'CCDC 2356639'
loop_
_audit_author_name
_audit_author_address
'Yan-Ping He'
;Fujian Institute of Research on the Structure of Matter
China
;

_audit_update_record             
;
2024-05-20 deposited with the CCDC.	2024-08-07 downloaded from the CCDC.
;
_publcif_datablock.id            {87a85caf-05fb-4dc0-abe5-a19ce4abfe2a}
_audit_creation_date             2024-02-27
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'1.5(C88 H64 Ag P4), C10 H12 Ag N4, C138 H72 O36 Zr4'
_chemical_formula_sum            'C280 H180 Ag2.50 N4 O36 P6 Zr4'
_chemical_formula_weight         4996.64
_chemical_absolute_configuration ?
_chemical_melting_point          ?
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'
Ag Ag 0.1306 4.2820 '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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zr Zr -0.1862 2.2449 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      cubic
_space_group_IT_number           197
_space_group_name_H-M_alt        'I 2 3'
_space_group_name_Hall           'I 2 2 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'z+1/2, x+1/2, y+1/2'
'z+1/2, -x+1/2, -y+1/2'
'-z+1/2, -x+1/2, y+1/2'
'-z+1/2, x+1/2, -y+1/2'
'y+1/2, z+1/2, x+1/2'
'-y+1/2, z+1/2, -x+1/2'
'y+1/2, -z+1/2, -x+1/2'
'-y+1/2, -z+1/2, x+1/2'

_cell_length_a                   38.8309(4)
_cell_length_b                   38.8309(4)
_cell_length_c                   38.8309(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     58550.7(18)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    10104
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      71.8880
_cell_measurement_theta_min      2.2770
_shelx_estimated_absorpt_T_max   0.738
_shelx_estimated_absorpt_T_min   0.443
_exptl_absorpt_coefficient_mu    3.237
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.87041
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.90a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.134
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             20348
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0699
_diffrn_reflns_av_unetI/netI     0.0884
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.955
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -48
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -48
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            49550
_diffrn_reflns_point_group_measured_fraction_full 0.899
_diffrn_reflns_point_group_measured_fraction_max 0.846
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.971
_diffrn_reflns_theta_min         2.276
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     24.00  74.00   0.50    0.18    --   45.84  38.00 -30.00  100
  2  ω    -34.00  26.00   0.50    0.18    --   45.84 -19.00-180.00  120
  3  ω    -34.00  26.00   0.50    0.18    --   45.84  -8.00-124.00  120
  4  ω     35.00  71.00   0.50    1.50    --  108.85 -61.00-120.00   72
  5  ω     35.00 140.00   0.50    1.50    --  108.85 -81.00-135.00  210
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'XtaLAB Synergy, Single source at home/near, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.693
_reflns_Friedel_fraction_full    0.797
_reflns_Friedel_fraction_max     0.726
_reflns_number_gt                8339
_reflns_number_total             17249
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.443
_refine_diff_density_min         -0.638
_refine_diff_density_rms         0.087
_refine_ls_abs_structure_details 
;
 Flack x determined using 2549 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.035(8)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.135
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     856
_refine_ls_number_reflns         17249
_refine_ls_number_restraints     2168
_refine_ls_R_factor_all          0.1749
_refine_ls_R_factor_gt           0.1088
_refine_ls_restrained_S_all      1.111
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3236
_refine_ls_wR_factor_ref         0.3706
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C24-C25 = C15-C16 = C1-C2 = C38-C39
 1.53 with sigma of 0.002
 O11-C39 = O12-C39
 1.28 with sigma of 0.002
 O1-C16 = O2-C16
 1.28 with sigma of 0.002
3. Rigid bond restraints
 O8, O7, C34, Zr1, C25, C33, O4, O5, C26, C24, C35, C32, C3, C1, C27, O9, C36,
 C31, C2, C4, O6, C28, C37, C46, C30, C7, C12, C5, C29, O10, C38, C45, C41, C6,
 C13, C11, Zr2, C40, C39, C44, C42, C8, C23, C14, C10, O11, O12, C43, C9, C22,
 C18, C15, O3, C21, C19, C17, C16, C20, O2, O1
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
O9 \\sim O7 \\sim C34 \\sim Zr1 \\sim C25 \\sim C33 \\sim O4 \\sim O8 \\sim O5
\\sim C26 \\sim C24 \\sim C35 \\sim C32 \\sim C3 \\sim C1 \\sim C27 \\sim C36
\\sim C31 \\sim C2 \\sim C4 \\sim O6 \\sim C28 \\sim C37 \\sim C46 \\sim C30
\\sim C7 \\sim C12 \\sim C5 \\sim C29 \\sim O10 \\sim C38 \\sim C45 \\sim C41
\\sim C6 \\sim C13 \\sim C11 \\sim Zr2 \\sim C40 \\sim C39 \\sim C44 \\sim C42
\\sim C8 \\sim C23 \\sim C14 \\sim C10 \\sim O11 \\sim O12 \\sim C43 \\sim C9
\\sim C22 \\sim C18 \\sim C15 \\sim O3 \\sim C21 \\sim C19 \\sim C17 \\sim C16
\\sim C20 \\sim O2 \\sim O1: within 1.7A with sigma of 0.04 and sigma for
terminal atoms of 0.08 within 1.7A
Uanis(O9) \\sim Ueq, Uanis(O7) \\sim Ueq, Uanis(C34) \\sim Ueq, Uanis(Zr1)
\\sim Ueq, Uanis(C25) \\sim Ueq, Uanis(C33) \\sim Ueq, Uanis(O4) \\sim Ueq,
Uanis(O8) \\sim Ueq, Uanis(O5) \\sim Ueq, Uanis(C26) \\sim Ueq, Uanis(C24)
\\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C3) \\sim Ueq,
Uanis(C1) \\sim Ueq, Uanis(C27) \\sim Ueq, Uanis(C36) \\sim Ueq, Uanis(C31)
\\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C4) \\sim Ueq, Uanis(O6) \\sim Ueq,
Uanis(C28) \\sim Ueq, Uanis(C37) \\sim Ueq, Uanis(C46) \\sim Ueq, Uanis(C30)
\\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C12) \\sim Ueq, Uanis(C5) \\sim Ueq,
Uanis(C29) \\sim Ueq, Uanis(O10) \\sim Ueq, Uanis(C38) \\sim Ueq, Uanis(C45)
\\sim Ueq, Uanis(C41) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C13) \\sim Ueq,
Uanis(C11) \\sim Ueq, Uanis(Zr2) \\sim Ueq, Uanis(C40) \\sim Ueq, Uanis(C39)
\\sim Ueq, Uanis(C44) \\sim Ueq, Uanis(C42) \\sim Ueq, Uanis(C8) \\sim Ueq,
Uanis(C23) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(O11)
\\sim Ueq, Uanis(O12) \\sim Ueq, Uanis(C43) \\sim Ueq, Uanis(C9) \\sim Ueq,
Uanis(C22) \\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C15) \\sim Ueq, Uanis(O3)
\\sim Ueq, Uanis(C21) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C17) \\sim Ueq,
Uanis(C16) \\sim Ueq, Uanis(C20) \\sim Ueq, Uanis(O2) \\sim Ueq, Uanis(O1)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C48) \\sim Ueq, Uanis(Ag2) \\sim Ueq, Uanis(P1) \\sim Ueq, Uanis(P2)
\\sim Ueq, Uanis(C53) \\sim Ueq, Uanis(C52) \\sim Ueq, Uanis(C63) \\sim Ueq,
Uanis(C79) \\sim Ueq, Uanis(C69) \\sim Ueq, Uanis(C85) \\sim Ueq, Uanis(C54)
\\sim Ueq, Uanis(C62) \\sim Ueq, Uanis(C47) \\sim Ueq, Uanis(C51) \\sim Ueq,
Uanis(C64) \\sim Ueq, Uanis(C68) \\sim Ueq, Uanis(C80) \\sim Ueq, Uanis(C84)
\\sim Ueq, Uanis(C70) \\sim Ueq, Uanis(C78) \\sim Ueq, Uanis(C86) \\sim Ueq,
Uanis(C90) \\sim Ueq, Uanis(C55) \\sim Ueq, Uanis(C61) \\sim Ueq, Uanis(C50)
\\sim Ueq, Uanis(C65) \\sim Ueq, Uanis(C67) \\sim Ueq, Uanis(C81) \\sim Ueq,
Uanis(C83) \\sim Ueq, Uanis(C71) \\sim Ueq, Uanis(C77) \\sim Ueq, Uanis(C87)
\\sim Ueq, Uanis(C89) \\sim Ueq, Uanis(C56) \\sim Ueq, Uanis(C60) \\sim Ueq,
Uanis(C49) \\sim Ueq, Uanis(C66) \\sim Ueq, Uanis(C82) \\sim Ueq, Uanis(C72)
\\sim Ueq, Uanis(C76) \\sim Ueq, Uanis(C88) \\sim Ueq, Uanis(C57) \\sim Ueq,
Uanis(C59) \\sim Ueq, Uanis(C73) \\sim Ueq, Uanis(C75) \\sim Ueq, Uanis(C58)
\\sim Ueq, Uanis(C74) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(Ag1) \\sim Ueq, Uanis(N2) \\sim Ueq, Uanis(N1) \\sim Ueq, Uanis(C91)
\\sim Ueq, Uanis(C93) \\sim Ueq, Uanis(C92) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(Ag1) \\sim Ueq, Uanis(N2) \\sim Ueq, Uanis(N1) \\sim Ueq, Uanis(C91)
\\sim Ueq, Uanis(C93) \\sim Ueq, Uanis(C92) \\sim Ueq, Uanis(C94) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
5. Rigid body (RIGU) restrains
 C21, O7, C34, Zr1, C25, C33, O4, O8, O5, C26, C24, C35, C32, C3, C1, C27, O9,
 C36, C31, C2, C4, O6, C28, C37, C46, C30, C7, C12, C5, C29, O10, C38, C45, C41,
  C6, C13, C11, Zr2, C40, C39, C44, C42, C8, C23, C14, C10, O11, O12, C43, C9,
 C22, C18, C15, O3, C19, C17, C16, C20, O2, O1
 with sigma for 1-2 distances of 0.0002 and sigma for 1-3 distances of 0.0004
 C48, Ag2, P1, P2, C53, C52, C63, C79, C69, C85, C54, C62, C47, C51, C64, C68,
 C80, C84, C70, C78, C86, C90, C55, C61, C50, C65, C67, C81, C83, C71, C77, C87,
  C89, C56, C60, C49, C66, C82, C72, C76, C88, C57, C59, C73, C75, C58, C74
 with sigma for 1-2 distances of 0.0002 and sigma for 1-3 distances of 0.0004
 Ag1, N2, N1, C91, C93, C92
 with sigma for 1-2 distances of 0.0002 and sigma for 1-3 distances of 0.0004
 Ag1, N2, N1, C91, C93, C92, C94
 with sigma for 1-2 distances of 0.0002 and sigma for 1-3 distances of 0.0004
6.a Ternary CH refined with riding coordinates:
 C94(H94)
6.b Secondary CH2 refined with riding coordinates:
 C12(H12a,H12b), C35(H35a,H35b)
6.c Aromatic/amide H refined with riding coordinates:
 C56(H56), C59(H59), C58(H58), C57(H57), C76(H76), C75(H75), C62(H62),
 C61(H61), C80(H80), C81(H81), C82(H82), C83(H83), C84(H84), C70(H70), C71(H71),
  C73(H73), C74(H74), C89(H89), C88(H88), C87(H87), C86(H86), C90(H90),
 C49(H49), C48(H48), C47(H47), C51(H51), C50(H50), C44(H44), C45(H45), C42(H42),
  C43(H43), C7(H7), C11(H11), C10(H10), C9(H9), C8(H8), C28(H28), C29(H29),
 C30(H30), C31(H31), C26(H26), C64(H64), C68(H68), C67(H67), C66(H66), C65(H65),
  C22(H22), C21(H21), C20(H20), C19(H19), C17(H17), C40(H40)
6.d Fitted hexagon refined as free rotating group:
 C79(C80,C81,C82,C83,C84), C70(C71,C72,C77,C78,C69), C89(C88,C87,C86,C85,C90),
 C49(C48,C47,C52,C51,C50), C44(C45,C46,C41,C42,C43), C64(C63,C68,C67,C66,C65)
6.e Naphthalene refined as free rotating group:
 C4(C3,C2,C7,C6,C5,C11,C10,C9,C8), C28(C29,C30,C31,C32,C27,C26,C25,C34,C33),
 C22(C21,C20,C19,C18,C23,C13,C14,C15,C17)
6.f Idealised Me refined as rotating group:
 C92(H92a,H92b,H92c)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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
Ag2 Ag 0.000000 0.500000 0.73740(5) 0.0859(5) Uani 1 2 d S TU P . .
Ag1 Ag 0.32444(7) 0.67556(7) 0.67556(7) 0.1634(15) Uani 1 3 d S TU P . .
P1 P 0.04643(10) 0.50040(13) 0.78542(11) 0.0813(10) Uani 1 1 d . U . . .
P2 P 0.00213(14) 0.45291(11) 0.68987(11) 0.0849(11) Uani 1 1 d . U . . .
O7 O 0.2969(4) 0.5754(4) 0.7451(5) 0.132(3) Uani 1 1 d . U . . .
C56 C -0.0286(5) 0.4683(5) 0.8975(5) 0.092(4) Uani 1 1 d . U . . .
H56 H -0.036855 0.490762 0.898713 0.111 Uiso 1 1 calc R U . . .
C55 C -0.0027(5) 0.4581(4) 0.8712(4) 0.085(3) Uani 1 1 d . U . . .
C53 C 0.0326(4) 0.4723(4) 0.8206(5) 0.084(3) Uani 1 1 d . U . . .
C59 C -0.0047(5) 0.4001(5) 0.8961(5) 0.093(4) Uani 1 1 d . U . . .
H59 H 0.003580 0.377661 0.896732 0.112 Uiso 1 1 calc R U . . .
O10 O 0.2424(4) 0.7083(5) 0.7642(4) 0.136(3) Uani 1 1 d . U . . .
C58 C -0.0268(5) 0.4096(5) 0.9176(5) 0.095(4) Uani 1 1 d . U . . .
H58 H -0.035122 0.393387 0.933194 0.113 Uiso 1 1 calc R U . . .
C60 C 0.0085(5) 0.4248(5) 0.8690(5) 0.088(3) Uani 1 1 d . U . . .
O4 O 0.2978(5) 0.5508(4) 0.6743(5) 0.145(3) Uani 1 1 d . U . . .
C57 C -0.0397(5) 0.4440(5) 0.9196(5) 0.097(4) Uani 1 1 d . U . . .
H57 H -0.055954 0.449573 0.936264 0.116 Uiso 1 1 calc R U . . .
C76 C 0.0315(5) 0.5242(5) 0.5764(5) 0.098(4) Uani 1 1 d . U . . .
H76 H 0.008879 0.531986 0.575937 0.118 Uiso 1 1 calc R U . . .
C54 C 0.0079(4) 0.4830(4) 0.8458(4) 0.081(3) Uani 1 1 d . U . . .
C12 C 0.2905(9) 0.5905(8) 0.6158(8) 0.161(3) Uani 1 1 d . U . . .
H12A H 0.308934 0.588427 0.632590 0.193 Uiso 1 1 calc R U . . .
H12B H 0.282949 0.614316 0.615896 0.193 Uiso 1 1 calc R U . . .
C75 C 0.0531(5) 0.5350(5) 0.5500(5) 0.099(4) Uani 1 1 d . U . . .
H75 H 0.045861 0.551022 0.533738 0.119 Uiso 1 1 calc R U . . .
C62 C 0.0437(5) 0.4396(5) 0.8209(5) 0.088(3) Uani 1 1 d . U . . .
H62 H 0.059980 0.432754 0.804717 0.106 Uiso 1 1 calc R U . . .
O8 O 0.3278(5) 0.5194(5) 0.7707(5) 0.149(3) Uani 1 1 d . U . . .
C61 C 0.0316(5) 0.4152(5) 0.8448(5) 0.093(4) Uani 1 1 d . U . . .
H61 H 0.039467 0.392616 0.844030 0.112 Uiso 1 1 calc R U . . .
C79 C -0.0379(3) 0.4370(4) 0.6710(4) 0.115(3) Uani 1 1 d G U . . .
C80 C -0.0392(4) 0.4221(4) 0.6385(4) 0.124(5) Uani 1 1 d G U . . .
H80 H -0.019169 0.420212 0.625468 0.149 Uiso 1 1 calc R U . . .
C81 C -0.0702(4) 0.4100(5) 0.6255(3) 0.135(5) Uani 1 1 d G U . . .
H81 H -0.071055 0.400043 0.603776 0.162 Uiso 1 1 calc R U . . .
C82 C -0.1001(3) 0.4129(5) 0.6450(4) 0.150(6) Uani 1 1 d G U . . .
H82 H -0.120914 0.404779 0.636353 0.179 Uiso 1 1 calc R U . . .
C83 C -0.0989(3) 0.4278(5) 0.6776(4) 0.136(5) Uani 1 1 d G U . . .
H83 H -0.118886 0.429684 0.690623 0.163 Uiso 1 1 calc R U . . .
C84 C -0.0678(4) 0.4399(4) 0.6906(3) 0.134(5) Uani 1 1 d G U . . .
H84 H -0.067000 0.449853 0.712316 0.161 Uiso 1 1 calc R U . . .
C35 C 0.2661(7) 0.6414(7) 0.7569(7) 0.131(3) Uani 1 1 d . U . . .
H35A H 0.277221 0.663441 0.753117 0.157 Uiso 1 1 calc R U . . .
H35B H 0.269280 0.628016 0.736022 0.157 Uiso 1 1 calc R U . . .
C70 C 0.0628(3) 0.4563(3) 0.6526(3) 0.100(4) Uani 1 1 d G U . . .
H70 H 0.070238 0.440741 0.669163 0.120 Uiso 1 1 calc R U . . .
C71 C 0.0852(2) 0.4670(3) 0.6268(3) 0.098(4) Uani 1 1 d G U . . .
H71 H 0.107643 0.458583 0.626127 0.118 Uiso 1 1 calc R U . . .
C72 C 0.0742(3) 0.4904(3) 0.6020(3) 0.091(3) Uani 1 1 d G U . . .
C77 C 0.0407(3) 0.5030(3) 0.6030(3) 0.085(3) Uani 1 1 d G U . . .
C78 C 0.0183(2) 0.4923(3) 0.6288(3) 0.092(3) Uani 1 1 d G U . . .
C69 C 0.0294(3) 0.4690(3) 0.6536(3) 0.095(3) Uani 1 1 d G U . . .
C73 C 0.0967(5) 0.5011(6) 0.5744(5) 0.102(4) Uani 1 1 d . U . . .
H73 H 0.119493 0.493747 0.574400 0.123 Uiso 1 1 calc R U . . .
N2 N 0.2676(7) 0.6558(6) 0.6724(6) 0.144(6) Uani 1 1 d . U . . .
O6 O 0.2279(7) 0.4767(6) 0.7021(7) 0.196(7) Uani 1 1 d . U . . .
C74 C 0.0855(5) 0.5211(6) 0.5491(6) 0.103(4) Uani 1 1 d . U . . .
H74 H 0.099847 0.525713 0.530449 0.124 Uiso 1 1 calc R U . . .
C89 C 0.0501(5) 0.3781(4) 0.7460(3) 0.146(6) Uani 1 1 d G U . . .
H89 H 0.058594 0.376240 0.768306 0.175 Uiso 1 1 calc R U . . .
C88 C 0.0522(5) 0.3502(3) 0.7237(4) 0.138(5) Uani 1 1 d G U . . .
H88 H 0.062053 0.329646 0.731069 0.165 Uiso 1 1 calc R U . . .
C87 C 0.0395(5) 0.3529(4) 0.6903(4) 0.142(6) Uani 1 1 d G U . . .
H87 H 0.040869 0.334261 0.675396 0.170 Uiso 1 1 calc R U . . .
C86 C 0.0247(5) 0.3836(4) 0.6793(3) 0.139(6) Uani 1 1 d G U . . .
H86 H 0.016225 0.385469 0.656959 0.167 Uiso 1 1 calc R U . . .
C85 C 0.0226(4) 0.4115(3) 0.7016(4) 0.112(3) Uani 1 1 d G U . . .
C90 C 0.0353(5) 0.4088(4) 0.7349(4) 0.134(5) Uani 1 1 d G U . . .
H90 H 0.033949 0.427450 0.749869 0.160 Uiso 1 1 calc R U . . .
C49 C 0.1554(3) 0.4665(4) 0.7520(4) 0.123(5) Uani 1 1 d G U . . .
H49 H 0.177458 0.460505 0.744762 0.147 Uiso 1 1 calc R U . . .
C48 C 0.1300(4) 0.4735(4) 0.7278(3) 0.122(5) Uani 1 1 d G U . . .
H48 H 0.134986 0.472140 0.704384 0.146 Uiso 1 1 calc R U . . .
C47 C 0.0971(3) 0.4825(4) 0.7385(3) 0.111(4) Uani 1 1 d G U . . .
H47 H 0.080025 0.487197 0.722331 0.133 Uiso 1 1 calc R U . . .
C52 C 0.0896(3) 0.4846(3) 0.7735(4) 0.099(3) Uani 1 1 d G U . . .
C51 C 0.1150(3) 0.4776(4) 0.7977(3) 0.109(4) Uani 1 1 d G U . . .
H51 H 0.110005 0.478985 0.821035 0.130 Uiso 1 1 calc R U . . .
C50 C 0.1479(3) 0.4686(4) 0.7869(4) 0.118(4) Uani 1 1 d G U . . .
H50 H 0.164967 0.463928 0.803089 0.141 Uiso 1 1 calc R U . . .
O9 O 0.3371(7) 0.5177(5) 0.8268(6) 0.176(6) Uani 1 1 d . U . . .
O5 O 0.2762(5) 0.5052(4) 0.7203(5) 0.151(3) Uani 1 1 d . U . . .
C37 C 0.2182(7) 0.6803(8) 0.7639(7) 0.136(4) Uani 1 1 d . U . . .
C44 C 0.1895(5) 0.5599(4) 0.7559(5) 0.141(5) Uani 1 1 d G U . . .
H44 H 0.196016 0.537211 0.751800 0.169 Uiso 1 1 calc R U . . .
C45 C 0.2142(3) 0.5858(5) 0.7566(5) 0.135(4) Uani 1 1 d G U . . .
H45 H 0.237283 0.580402 0.752893 0.163 Uiso 1 1 calc R U . . .
C46 C 0.2045(4) 0.6197(4) 0.7628(5) 0.132(4) Uani 1 1 d G U . . .
C41 C 0.1701(5) 0.6277(4) 0.7683(5) 0.144(5) Uani 1 1 d G U . . .
C42 C 0.1453(3) 0.6018(5) 0.7676(5) 0.141(5) Uani 1 1 d G U . . .
H42 H 0.122289 0.607161 0.771301 0.169 Uiso 1 1 calc R U . . .
C43 C 0.1551(4) 0.5679(4) 0.7614(5) 0.145(5) Uani 1 1 d G U . . .
H43 H 0.138519 0.550590 0.761004 0.174 Uiso 1 1 calc R U . . .
C4 C 0.2612(3) 0.5683(4) 0.6270(4) 0.155(4) Uani 1 1 d G U . . .
C3 C 0.2682(4) 0.5479(4) 0.6556(4) 0.148(5) Uani 1 1 d G U . . .
C2 C 0.2431(5) 0.5257(4) 0.6682(4) 0.152(5) Uani 1 1 d DG U . . .
C7 C 0.2111(4) 0.5239(4) 0.6523(4) 0.161(5) Uani 1 1 d G U . . .
H7 H 0.194361 0.509013 0.660803 0.193 Uiso 1 1 calc R U . . .
C6 C 0.2041(3) 0.5443(3) 0.6238(3) 0.167(5) Uani 1 1 d G U . . .
C5 C 0.2292(3) 0.5665(3) 0.6111(3) 0.160(5) Uani 1 1 d G U . . .
C11 C 0.2222(4) 0.5870(4) 0.5826(4) 0.163(6) Uani 1 1 d G U . . .
H11 H 0.238984 0.601829 0.574105 0.196 Uiso 1 1 calc R U . . .
C10 C 0.1902(5) 0.5852(5) 0.5667(4) 0.171(6) Uani 1 1 d G U . . .
H10 H 0.185532 0.598854 0.547577 0.205 Uiso 1 1 calc R U . . .
C9 C 0.1651(4) 0.5630(5) 0.5793(5) 0.180(6) Uani 1 1 d G U . . .
H9 H 0.143721 0.561772 0.568703 0.216 Uiso 1 1 calc R U . . .
C8 C 0.1721(3) 0.5425(5) 0.6079(4) 0.172(6) Uani 1 1 d G U . . .
H8 H 0.155360 0.527665 0.616357 0.207 Uiso 1 1 calc R U . . .
C28 C 0.3177(4) 0.6358(4) 0.8745(3) 0.152(5) Uani 1 1 d G U . . .
H28 H 0.329507 0.623733 0.891528 0.182 Uiso 1 1 calc R U . . .
C29 C 0.3068(4) 0.6693(4) 0.8807(3) 0.161(6) Uani 1 1 d G U . . .
H29 H 0.311401 0.679740 0.901774 0.193 Uiso 1 1 calc R U . . .
C30 C 0.2891(4) 0.6874(3) 0.8553(4) 0.156(5) Uani 1 1 d G U . . .
H30 H 0.281891 0.709816 0.859417 0.187 Uiso 1 1 calc R U . . .
C31 C 0.2823(4) 0.6718(3) 0.8238(4) 0.145(5) Uani 1 1 d G U . . .
H31 H 0.270488 0.683886 0.806813 0.174 Uiso 1 1 calc R U . . .
C32 C 0.2932(3) 0.6383(3) 0.8177(3) 0.130(4) Uani 1 1 d G U . . .
C27 C 0.3108(3) 0.6203(3) 0.8430(3) 0.144(5) Uani 1 1 d G U . . .
C26 C 0.3217(4) 0.5867(3) 0.8369(4) 0.145(5) Uani 1 1 d G U . . .
H26 H 0.333524 0.574642 0.853873 0.174 Uiso 1 1 calc R U . . .
C25 C 0.3149(4) 0.5712(3) 0.8054(4) 0.144(4) Uani 1 1 d DG U . . .
C34 C 0.2972(4) 0.5892(4) 0.7800(3) 0.142(4) Uani 1 1 d G U . . .
C33 C 0.2863(4) 0.6227(4) 0.7861(3) 0.128(3) Uani 1 1 d G U . . .
C64 C 0.0795(4) 0.5474(3) 0.8312(4) 0.122(5) Uani 1 1 d G U . . .
H64 H 0.090397 0.528416 0.840950 0.146 Uiso 1 1 calc R U . . .
C63 C 0.0571(4) 0.5429(3) 0.8036(4) 0.102(3) Uani 1 1 d G U . . .
C68 C 0.0408(4) 0.5712(4) 0.7890(3) 0.114(4) Uani 1 1 d G U . . .
H68 H 0.025843 0.568252 0.770560 0.137 Uiso 1 1 calc R U . . .
C67 C 0.0469(4) 0.6040(3) 0.8020(4) 0.126(5) Uani 1 1 d G U . . .
H67 H 0.036046 0.623003 0.792188 0.152 Uiso 1 1 calc R U . . .
C66 C 0.0693(4) 0.6085(3) 0.8295(4) 0.130(5) Uani 1 1 d G U . . .
H66 H 0.073424 0.630462 0.838198 0.156 Uiso 1 1 calc R U . . .
C65 C 0.0856(4) 0.5802(4) 0.8441(4) 0.122(5) Uani 1 1 d G U . . .
H65 H 0.100600 0.583168 0.862579 0.147 Uiso 1 1 calc R U . . .
N1 N 0.3590(8) 0.6410(8) 0.6410(8) 0.157(6) Uani 1 3 d S TU P . .
Zr1 Zr 0.31854(7) 0.53726(5) 0.72047(7) 0.1357(9) Uani 1 1 d . U . . .
Zr2 Zr 0.24164(5) 0.75836(5) 0.75836(5) 0.1299(13) Uani 1 3 d S TU P . .
C22 C 0.3352(6) 0.5315(6) 0.5998(5) 0.213(7) Uani 1 1 d G U . . .
H22 H 0.322845 0.533701 0.620202 0.255 Uiso 1 1 calc R U . . .
C21 C 0.3589(6) 0.5049(5) 0.5961(6) 0.221(7) Uani 1 1 d G U . . .
H21 H 0.362390 0.489343 0.614030 0.265 Uiso 1 1 calc R U . . .
C20 C 0.3775(6) 0.5015(5) 0.5657(7) 0.224(7) Uani 1 1 d G U . . .
H20 H 0.393328 0.483757 0.563224 0.269 Uiso 1 1 calc R U . . .
C19 C 0.3723(5) 0.5248(6) 0.5390(6) 0.218(7) Uani 1 1 d G U . . .
H19 H 0.384721 0.522530 0.518591 0.262 Uiso 1 1 calc R U . . .
C18 C 0.3486(4) 0.5513(5) 0.5427(4) 0.212(6) Uani 1 1 d G U . . .
C23 C 0.3301(4) 0.5547(4) 0.5731(4) 0.199(6) Uani 1 1 d G U . . .
C13 C 0.3064(5) 0.5813(5) 0.5768(5) 0.184(5) Uani 1 1 d G U . . .
C14 C 0.3012(5) 0.6045(5) 0.5501(6) 0.187(5) Uani 1 1 d G U . . .
C15 C 0.3198(6) 0.6012(5) 0.5196(5) 0.198(6) Uani 1 1 d DG U . . .
C17 C 0.3435(6) 0.5746(6) 0.5159(4) 0.211(6) Uani 1 1 d G U . . .
H17 H 0.355870 0.572339 0.495546 0.253 Uiso 1 1 calc R U . . .
O3 O 0.2862(6) 0.6346(6) 0.5603(5) 0.170(5) Uani 1 1 d . U . . .
C38 C 0.1835(7) 0.6903(6) 0.7698(8) 0.144(4) Uani 1 1 d D U . . .
O2 O 0.3306(8) 0.6180(8) 0.4609(6) 0.220(8) Uani 1 1 d D U . . .
O1 O 0.2994(6) 0.6531(6) 0.4944(6) 0.178(5) Uani 1 1 d D U . . .
C40 C 0.1597(8) 0.6587(8) 0.7714(8) 0.150(5) Uani 1 1 d . U . . .
H40 H 0.136287 0.662408 0.774790 0.180 Uiso 1 1 calc R U . . .
C16 C 0.3202(8) 0.6278(6) 0.4906(5) 0.188(6) Uani 1 1 d D U . . .
C24 C 0.3296(8) 0.5352(4) 0.7990(9) 0.159(5) Uani 1 1 d D U . . .
C1 C 0.2480(9) 0.5024(7) 0.6996(6) 0.162(5) Uani 1 1 d D U . . .
C36 C 0.2292(7) 0.6479(7) 0.7605(6) 0.127(3) Uani 1 1 d . U . . .
O11 O 0.1890(5) 0.7529(5) 0.7688(6) 0.157(4) Uani 1 1 d D U . . .
O12 O 0.1398(5) 0.7317(6) 0.7872(8) 0.210(8) Uani 1 1 d D U . . .
C39 C 0.1710(5) 0.7268(5) 0.7776(8) 0.158(5) Uani 1 1 d D U . . .
C91 C 0.2421(8) 0.6422(7) 0.6714(6) 0.125(6) Uani 1 1 d . U . . .
C92 C 0.2087(7) 0.6287(7) 0.6707(7) 0.135(7) Uani 1 1 d . U . . .
H92A H 0.201998 0.624566 0.647305 0.202 Uiso 1 1 calc R U . . .
H92B H 0.193089 0.644847 0.681057 0.202 Uiso 1 1 calc R U . . .
H92C H 0.208158 0.607463 0.683352 0.202 Uiso 1 1 calc R U . . .
C93 C 0.3750(11) 0.6250(11) 0.6250(11) 0.166(7) Uani 1 3 d S TU P . .
C94 C 0.3942(13) 0.5958(11) 0.6254(10) 0.197(9) Uani 1 1 d . U . . .
H94 H 0.402386 0.576429 0.639354 0.237 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag2 P1 2.594(4) . ?
Ag2 P1 2.594(4) 2_565 ?
Ag2 P2 2.599(5) . ?
Ag2 P2 2.599(5) 2_565 ?
Ag1 N2 2.34(3) . ?
Ag1 N2 2.34(3) 7_665 ?
Ag1 N2 2.34(3) 10_656 ?
Ag1 N1 2.32(5) . ?
P1 C53 1.828(18) . ?
P1 C52 1.843(11) . ?
P1 C63 1.843(11) . ?
P2 C79 1.826(13) . ?
P2 C69 1.870(9) . ?
P2 C85 1.850(12) . ?
O7 C34 1.46(2) . ?
O7 Zr1 1.952(18) . ?
C56 H56 0.9300 . ?
C56 C55 1.49(3) . ?
C56 C57 1.35(3) . ?
C55 C60 1.36(2) . ?
C55 C54 1.44(2) . ?
C53 C54 1.43(2) . ?
C53 C62 1.34(2) . ?
C59 H59 0.9300 . ?
C59 C58 1.25(2) . ?
C59 C60 1.51(3) . ?
O10 C37 1.44(3) . ?
O10 Zr2 1.957(18) . ?
C58 H58 0.9300 . ?
C58 C57 1.43(3) . ?
C60 C61 1.35(2) . ?
O4 C3 1.36(2) . ?
O4 Zr1 2.034(19) . ?
C57 H57 0.9300 . ?
C76 H76 0.9300 . ?
C76 C75 1.39(3) . ?
C76 C77 1.37(2) . ?
C54 C54 1.46(3) 2_565 ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C4 1.49(3) . ?
C12 C13 1.68(4) . ?
C75 H75 0.9300 . ?
C75 C74 1.37(3) . ?
C62 H62 0.9300 . ?
C62 C61 1.41(3) . ?
O8 Zr1 2.101(19) . ?
O8 C24 1.26(3) . ?
C61 H61 0.9300 . ?
C79 C80 1.3900 . ?
C79 C84 1.3900 . ?
C80 H80 0.9300 . ?
C80 C81 1.3900 . ?
C81 H81 0.9300 . ?
C81 C82 1.3900 . ?
C82 H82 0.9300 . ?
C82 C83 1.3900 . ?
C83 H83 0.9300 . ?
C83 C84 1.3900 . ?
C84 H84 0.9300 . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 C33 1.56(3) . ?
C35 C36 1.46(3) . ?
C70 H70 0.9300 . ?
C70 C71 1.3900 . ?
C70 C69 1.3900 . ?
C71 H71 0.9300 . ?
C71 C72 1.3900 . ?
C72 C77 1.3900 . ?
C72 C73 1.44(2) . ?
C77 C78 1.3900 . ?
C78 C78 1.541(16) 2_565 ?
C78 C69 1.3900 . ?
C73 H73 0.9300 . ?
C73 C74 1.33(3) . ?
N2 C91 1.12(3) . ?
O6 C1 1.27(3) . ?
C74 H74 0.9300 . ?
C89 H89 0.9300 . ?
C89 C88 1.3900 . ?
C89 C90 1.3900 . ?
C88 H88 0.9300 . ?
C88 C87 1.3900 . ?
C87 H87 0.9300 . ?
C87 C86 1.3900 . ?
C86 H86 0.9300 . ?
C86 C85 1.3900 . ?
C85 C90 1.3900 . ?
C90 H90 0.9300 . ?
C49 H49 0.9300 . ?
C49 C48 1.3900 . ?
C49 C50 1.3900 . ?
C48 H48 0.9300 . ?
C48 C47 1.3900 . ?
C47 H47 0.9300 . ?
C47 C52 1.3900 . ?
C52 C51 1.3900 . ?
C51 H51 0.9300 . ?
C51 C50 1.3900 . ?
C50 H50 0.9300 . ?
O9 C24 1.31(3) . ?
O5 Zr1 2.062(18) . ?
O5 C1 1.36(3) . ?
C37 C38 1.42(3) . ?
C37 C36 1.33(3) . ?
C44 H44 0.9300 . ?
C44 C45 1.3900 . ?
C44 C43 1.3900 . ?
C45 H45 0.9300 . ?
C45 C46 1.3900 . ?
C46 C41 1.3900 . ?
C46 C36 1.46(3) . ?
C41 C42 1.3900 . ?
C41 C40 1.28(3) . ?
C42 H42 0.9300 . ?
C42 C43 1.3900 . ?
C43 H43 0.9300 . ?
C4 C3 1.3900 . ?
C4 C5 1.3900 . ?
C3 C2 1.3900 . ?
C2 C7 1.3900 . ?
C2 C1 1.530(3) . ?
C7 H7 0.9300 . ?
C7 C6 1.3900 . ?
C6 C5 1.3900 . ?
C6 C8 1.3900 . ?
C5 C11 1.3900 . ?
C11 H11 0.9300 . ?
C11 C10 1.3900 . ?
C10 H10 0.9300 . ?
C10 C9 1.3900 . ?
C9 H9 0.9300 . ?
C9 C8 1.3900 . ?
C8 H8 0.9300 . ?
C28 H28 0.9300 . ?
C28 C29 1.3900 . ?
C28 C27 1.3900 . ?
C29 H29 0.9300 . ?
C29 C30 1.3900 . ?
C30 H30 0.9300 . ?
C30 C31 1.3900 . ?
C31 H31 0.9300 . ?
C31 C32 1.3900 . ?
C32 C27 1.3900 . ?
C32 C33 1.3900 . ?
C27 C26 1.3900 . ?
C26 H26 0.9300 . ?
C26 C25 1.3900 . ?
C25 C34 1.3900 . ?
C25 C24 1.530(3) . ?
C34 C33 1.3900 . ?
C64 H64 0.9300 . ?
C64 C63 1.3900 . ?
C64 C65 1.3900 . ?
C63 C68 1.3900 . ?
C68 H68 0.9300 . ?
C68 C67 1.3900 . ?
C67 H67 0.9300 . ?
C67 C66 1.3900 . ?
C66 H66 0.9300 . ?
C66 C65 1.3900 . ?
C65 H65 0.9300 . ?
N1 C93 1.08(7) . ?
Zr1 O3 2.05(2) 10_656 ?
Zr1 O1 2.14(2) 10_656 ?
Zr2 O11 2.093(18) 7_665 ?
Zr2 O11 2.093(18) . ?
Zr2 O11 2.093(18) 10_656 ?
C22 H22 0.9300 . ?
C22 C21 1.3900 . ?
C22 C23 1.3900 . ?
C21 H21 0.9300 . ?
C21 C20 1.3900 . ?
C20 H20 0.9300 . ?
C20 C19 1.3900 . ?
C19 H19 0.9300 . ?
C19 C18 1.3900 . ?
C18 C23 1.3900 . ?
C18 C17 1.3900 . ?
C23 C13 1.3900 . ?
C13 C14 1.3900 . ?
C14 C15 1.3900 . ?
C14 O3 1.37(3) . ?
C15 C17 1.3900 . ?
C15 C16 1.530(3) . ?
C17 H17 0.9300 . ?
C38 C40 1.54(4) . ?
C38 C39 1.530(3) . ?
O2 C16 1.280(3) . ?
O1 C16 1.280(3) . ?
C40 H40 0.9300 . ?
O11 C39 1.279(3) . ?
O12 C39 1.280(3) . ?
C91 C92 1.40(4) . ?
C92 H92A 0.9600 . ?
C92 H92B 0.9600 . ?
C92 H92C 0.9600 . ?
C93 C94 1.36(5) 7_665 ?
C93 C94 1.36(5) 10_656 ?
C93 C94 1.36(5) . ?
C94 C94 1.43(6) 10_656 ?
C94 C94 1.43(6) 7_665 ?
C94 H94 0.9800 . ?

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
_geom_angle_publ_flag
P1 Ag2 P1 88.07(18) . 2_565 ?
P1 Ag2 P2 121.89(15) 2_565 . ?
P1 Ag2 P2 119.50(16) 2_565 2_565 ?
P1 Ag2 P2 119.51(16) . . ?
P1 Ag2 P2 121.89(15) . 2_565 ?
P2 Ag2 P2 89.53(19) 2_565 . ?
N2 Ag1 N2 109.9(6) 10_656 7_665 ?
N2 Ag1 N2 109.9(6) . 7_665 ?
N2 Ag1 N2 109.9(6) . 10_656 ?
N1 Ag1 N2 109.0(6) . 7_665 ?
N1 Ag1 N2 109.0(6) . 10_656 ?
N1 Ag1 N2 109.0(6) . . ?
C53 P1 Ag2 109.2(6) . . ?
C53 P1 C52 104.8(7) . . ?
C53 P1 C63 108.4(7) . . ?
C52 P1 Ag2 116.6(5) . . ?
C63 P1 Ag2 115.9(5) . . ?
C63 P1 C52 101.0(7) . . ?
C79 P2 Ag2 119.6(6) . . ?
C79 P2 C69 107.0(7) . . ?
C79 P2 C85 99.9(8) . . ?
C69 P2 Ag2 108.6(4) . . ?
C85 P2 Ag2 116.7(6) . . ?
C85 P2 C69 103.4(7) . . ?
C34 O7 Zr1 137.1(12) . . ?
C55 C56 H56 121.1 . . ?
C57 C56 H56 121.1 . . ?
C57 C56 C55 117.7(17) . . ?
C60 C55 C56 120.8(16) . . ?
C60 C55 C54 120.0(16) . . ?
C54 C55 C56 118.9(15) . . ?
C54 C53 P1 122.3(13) . . ?
C62 C53 P1 118.6(14) . . ?
C62 C53 C54 118.8(17) . . ?
C58 C59 H59 119.7 . . ?
C58 C59 C60 120.7(18) . . ?
C60 C59 H59 119.7 . . ?
C37 O10 Zr2 137.7(16) . . ?
C59 C58 H58 118.3 . . ?
C59 C58 C57 123.4(19) . . ?
C57 C58 H58 118.3 . . ?
C55 C60 C59 116.6(16) . . ?
C61 C60 C55 121.2(18) . . ?
C61 C60 C59 122.2(17) . . ?
C3 O4 Zr1 141.5(14) . . ?
C56 C57 C58 120.7(18) . . ?
C56 C57 H57 119.7 . . ?
C58 C57 H57 119.7 . . ?
C75 C76 H76 117.2 . . ?
C77 C76 H76 117.2 . . ?
C77 C76 C75 125.6(18) . . ?
C55 C54 C54 119.2(14) . 2_565 ?
C53 C54 C55 117.8(15) . . ?
C53 C54 C54 123.0(14) . 2_565 ?
H12A C12 H12B 107.5 . . ?
C4 C12 H12A 108.6 . . ?
C4 C12 H12B 108.6 . . ?
C4 C12 C13 115(2) . . ?
C13 C12 H12A 108.6 . . ?
C13 C12 H12B 108.6 . . ?
C76 C75 H75 121.5 . . ?
C74 C75 C76 117(2) . . ?
C74 C75 H75 121.5 . . ?
C53 C62 H62 118.8 . . ?
C53 C62 C61 122.4(18) . . ?
C61 C62 H62 118.8 . . ?
C24 O8 Zr1 131.4(17) . . ?
C60 C61 C62 119.6(18) . . ?
C60 C61 H61 120.2 . . ?
C62 C61 H61 120.2 . . ?
C80 C79 P2 122.2(9) . . ?
C80 C79 C84 120.0 . . ?
C84 C79 P2 117.8(9) . . ?
C79 C80 H80 120.0 . . ?
C81 C80 C79 120.0 . . ?
C81 C80 H80 120.0 . . ?
C80 C81 H81 120.0 . . ?
C80 C81 C82 120.0 . . ?
C82 C81 H81 120.0 . . ?
C81 C82 H82 120.0 . . ?
C83 C82 C81 120.0 . . ?
C83 C82 H82 120.0 . . ?
C82 C83 H83 120.0 . . ?
C82 C83 C84 120.0 . . ?
C84 C83 H83 120.0 . . ?
C79 C84 H84 120.0 . . ?
C83 C84 C79 120.0 . . ?
C83 C84 H84 120.0 . . ?
H35A C35 H35B 106.9 . . ?
C33 C35 H35A 107.3 . . ?
C33 C35 H35B 107.3 . . ?
C36 C35 H35A 107.3 . . ?
C36 C35 H35B 107.3 . . ?
C36 C35 C33 120(2) . . ?
C71 C70 H70 120.0 . . ?
C71 C70 C69 120.0 . . ?
C69 C70 H70 120.0 . . ?
C70 C71 H71 120.0 . . ?
C72 C71 C70 120.0 . . ?
C72 C71 H71 120.0 . . ?
C71 C72 C77 120.0 . . ?
C71 C72 C73 120.9(11) . . ?
C77 C72 C73 119.0(11) . . ?
C76 C77 C72 115.8(11) . . ?
C76 C77 C78 124.1(11) . . ?
C78 C77 C72 120.0 . . ?
C77 C78 C78 117.5(9) . 2_565 ?
C69 C78 C77 120.0 . . ?
C69 C78 C78 122.5(9) . 2_565 ?
C70 C69 P2 115.6(7) . . ?
C78 C69 P2 124.4(7) . . ?
C78 C69 C70 120.0 . . ?
C72 C73 H73 119.3 . . ?
C74 C73 C72 121.4(18) . . ?
C74 C73 H73 119.3 . . ?
C91 N2 Ag1 171(2) . . ?
C75 C74 H74 119.6 . . ?
C73 C74 C75 121(2) . . ?
C73 C74 H74 119.6 . . ?
C88 C89 H89 120.0 . . ?
C88 C89 C90 120.0 . . ?
C90 C89 H89 120.0 . . ?
C89 C88 H88 120.0 . . ?
C87 C88 C89 120.0 . . ?
C87 C88 H88 120.0 . . ?
C88 C87 H87 120.0 . . ?
C88 C87 C86 120.0 . . ?
C86 C87 H87 120.0 . . ?
C87 C86 H86 120.0 . . ?
C87 C86 C85 120.0 . . ?
C85 C86 H86 120.0 . . ?
C86 C85 P2 123.3(9) . . ?
C86 C85 C90 120.0 . . ?
C90 C85 P2 116.7(9) . . ?
C89 C90 H90 120.0 . . ?
C85 C90 C89 120.0 . . ?
C85 C90 H90 120.0 . . ?
C48 C49 H49 120.0 . . ?
C48 C49 C50 120.0 . . ?
C50 C49 H49 120.0 . . ?
C49 C48 H48 120.0 . . ?
C49 C48 C47 120.0 . . ?
C47 C48 H48 120.0 . . ?
C48 C47 H47 120.0 . . ?
C52 C47 C48 120.0 . . ?
C52 C47 H47 120.0 . . ?
C47 C52 P1 117.1(8) . . ?
C51 C52 P1 122.7(8) . . ?
C51 C52 C47 120.0 . . ?
C52 C51 H51 120.0 . . ?
C52 C51 C50 120.0 . . ?
C50 C51 H51 120.0 . . ?
C49 C50 H50 120.0 . . ?
C51 C50 C49 120.0 . . ?
C51 C50 H50 120.0 . . ?
C1 O5 Zr1 133.8(15) . . ?
C38 C37 O10 114(2) . . ?
C36 C37 O10 120(2) . . ?
C36 C37 C38 125(3) . . ?
C45 C44 H44 120.0 . . ?
C45 C44 C43 120.0 . . ?
C43 C44 H44 120.0 . . ?
C44 C45 H45 120.0 . . ?
C44 C45 C46 120.0 . . ?
C46 C45 H45 120.0 . . ?
C45 C46 C36 121.5(16) . . ?
C41 C46 C45 120.0 . . ?
C41 C46 C36 118.3(16) . . ?
C46 C41 C42 120.0 . . ?
C40 C41 C46 122(2) . . ?
C40 C41 C42 118(2) . . ?
C41 C42 H42 120.0 . . ?
C43 C42 C41 120.0 . . ?
C43 C42 H42 120.0 . . ?
C44 C43 H43 120.0 . . ?
C42 C43 C44 120.0 . . ?
C42 C43 H43 120.0 . . ?
C3 C4 C12 114.4(15) . . ?
C5 C4 C12 125.6(15) . . ?
O4 C3 C4 122.8(13) . . ?
O4 C3 C2 116.9(13) . . ?
C2 C3 C4 120.0 . . ?
C3 C2 C7 120.0 . . ?
C3 C2 C1 124.3(16) . . ?
C7 C2 C1 115.7(16) . . ?
C2 C7 H7 120.0 . . ?
C6 C7 C2 120.0 . . ?
C6 C7 H7 120.0 . . ?
C7 C6 C5 120.0 . . ?
C7 C6 C8 120.0 . . ?
C5 C6 C8 120.0 . . ?
C6 C5 C4 120.0 . . ?
C11 C5 C4 120.0 . . ?
C11 C5 C6 120.0 . . ?
C5 C11 H11 120.0 . . ?
C5 C11 C10 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C10 H10 120.0 . . ?
C11 C10 C9 120.0 . . ?
C9 C10 H10 120.0 . . ?
C10 C9 H9 120.0 . . ?
C8 C9 C10 120.0 . . ?
C8 C9 H9 120.0 . . ?
C6 C8 H8 120.0 . . ?
C9 C8 C6 120.0 . . ?
C9 C8 H8 120.0 . . ?
C29 C28 H28 120.0 . . ?
C29 C28 C27 120.0 . . ?
C27 C28 H28 120.0 . . ?
C28 C29 H29 120.0 . . ?
C30 C29 C28 120.0 . . ?
C30 C29 H29 120.0 . . ?
C29 C30 H30 120.0 . . ?
C29 C30 C31 120.0 . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 120.0 . . ?
C32 C31 C30 120.0 . . ?
C32 C31 H31 120.0 . . ?
C31 C32 C27 120.0 . . ?
C32 C27 C28 120.0 . . ?
C26 C27 C28 120.0 . . ?
C26 C27 C32 120.0 . . ?
C27 C26 H26 120.0 . . ?
C27 C26 C25 120.0 . . ?
C25 C26 H26 120.0 . . ?
C26 C25 C24 117.8(16) . . ?
C34 C25 C26 120.0 . . ?
C34 C25 C24 122.0(16) . . ?
C25 C34 O7 118.5(11) . . ?
C25 C34 C33 120.0 . . ?
C33 C34 O7 120.2(11) . . ?
C32 C33 C35 122.4(13) . . ?
C34 C33 C35 117.6(13) . . ?
C34 C33 C32 120.0 . . ?
C63 C64 H64 120.0 . . ?
C63 C64 C65 120.0 . . ?
C65 C64 H64 120.0 . . ?
C64 C63 P1 123.2(8) . . ?
C64 C63 C68 120.0 . . ?
C68 C63 P1 116.8(8) . . ?
C63 C68 H68 120.0 . . ?
C67 C68 C63 120.0 . . ?
C67 C68 H68 120.0 . . ?
C68 C67 H67 120.0 . . ?
C68 C67 C66 120.0 . . ?
C66 C67 H67 120.0 . . ?
C67 C66 H66 120.0 . . ?
C65 C66 C67 120.0 . . ?
C65 C66 H66 120.0 . . ?
C64 C65 H65 120.0 . . ?
C66 C65 C64 120.0 . . ?
C66 C65 H65 120.0 . . ?
C93 N1 Ag1 180(5) . . ?
O7 Zr1 O4 93.8(7) . . ?
O7 Zr1 O8 82.4(7) . . ?
O7 Zr1 O5 96.7(8) . . ?
O7 Zr1 O3 96.5(8) . 10_656 ?
O7 Zr1 O1 171.1(8) . 10_656 ?
O4 Zr1 O8 166.1(8) . . ?
O4 Zr1 O5 80.6(7) . . ?
O4 Zr1 O3 97.4(8) . 10_656 ?
O4 Zr1 O1 95.0(8) . 10_656 ?
O8 Zr1 O1 89.5(8) . 10_656 ?
O5 Zr1 O8 86.6(8) . . ?
O5 Zr1 O1 86.5(8) . 10_656 ?
O3 Zr1 O8 96.3(8) 10_656 . ?
O3 Zr1 O5 166.7(9) 10_656 . ?
O3 Zr1 O1 80.6(9) 10_656 10_656 ?
O10 Zr2 O10 95.8(6) . 10_656 ?
O10 Zr2 O10 95.8(6) . 7_665 ?
O10 Zr2 O10 95.8(6) 7_665 10_656 ?
O10 Zr2 O11 83.9(7) . . ?
O10 Zr2 O11 83.9(7) 7_665 7_665 ?
O10 Zr2 O11 169.7(8) 7_665 10_656 ?
O10 Zr2 O11 169.7(8) . 7_665 ?
O10 Zr2 O11 94.5(8) 7_665 . ?
O10 Zr2 O11 94.5(8) . 10_656 ?
O10 Zr2 O11 169.7(8) 10_656 . ?
O10 Zr2 O11 83.9(7) 10_656 10_656 ?
O10 Zr2 O11 94.5(8) 10_656 7_665 ?
O11 Zr2 O11 85.9(8) 10_656 . ?
O11 Zr2 O11 85.9(8) 10_656 7_665 ?
O11 Zr2 O11 85.9(8) 7_665 . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C23 C22 C21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C20 C21 C22 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C20 H20 120.0 . . ?
C19 C20 C21 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C19 H19 120.0 . . ?
C20 C19 C18 120.0 . . ?
C18 C19 H19 120.0 . . ?
C19 C18 C23 120.0 . . ?
C22 C23 C18 120.0 . . ?
C13 C23 C22 120.0 . . ?
C13 C23 C18 120.0 . . ?
C23 C13 C12 119.7(16) . . ?
C23 C13 C14 120.0 . . ?
C14 C13 C12 118.9(15) . . ?
C15 C14 C13 120.0 . . ?
C14 C15 C17 120.0 . . ?
C14 C15 C16 124.7(17) . . ?
C17 C15 C16 114.8(17) . . ?
C18 C17 H17 120.0 . . ?
C15 C17 C18 120.0 . . ?
C15 C17 H17 120.0 . . ?
C14 O3 Zr1 133.4(18) . 7_665 ?
C37 C38 C40 111(2) . . ?
C37 C38 C39 126(2) . . ?
C39 C38 C40 123(2) . . ?
C16 O1 Zr1 135.5(19) . 7_665 ?
C41 C40 C38 124(3) . . ?
C41 C40 H40 118.0 . . ?
C38 C40 H40 118.0 . . ?
O2 C16 C15 118(2) . . ?
O1 C16 C15 115(2) . . ?
O1 C16 O2 122(2) . . ?
O8 C24 O9 118.8(16) . . ?
O8 C24 C25 124(3) . . ?
O9 C24 C25 115(2) . . ?
O6 C1 O5 120.9(17) . . ?
O6 C1 C2 117(2) . . ?
O5 C1 C2 121(2) . . ?
C37 C36 C35 119(3) . . ?
C37 C36 C46 119(2) . . ?
C46 C36 C35 121(2) . . ?
C39 O11 Zr2 131.7(15) . . ?
O11 C39 C38 121(2) . . ?
O11 C39 O12 119(2) . . ?
O12 C39 C38 120(2) . . ?
N2 C91 C92 174(3) . . ?
C91 C92 H92A 109.5 . . ?
C91 C92 H92B 109.5 . . ?
C91 C92 H92C 109.5 . . ?
H92A C92 H92B 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
N1 C93 C94 143(2) . . ?
N1 C93 C94 143(2) . 10_656 ?
N1 C93 C94 143(2) . 7_665 ?
C94 C93 C94 64(4) 7_665 . ?
C94 C93 C94 64(4) 7_665 10_656 ?
C94 C93 C94 64(4) 10_656 . ?
C93 C94 C94 58(2) . 10_656 ?
C93 C94 C94 58(2) . 7_665 ?
C93 C94 H94 145.4 . . ?
C94 C94 C94 59.99(2) 10_656 7_665 ?
C94 C94 H94 145.4 7_665 . ?
C94 C94 H94 145.4 10_656 . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag2 P1 C53 C54 -79.4(14) . . . . ?
Ag2 P1 C53 C62 94.7(15) . . . . ?
Ag2 P1 C52 C47 17.1(9) . . . . ?
Ag2 P1 C52 C51 -168.3(6) . . . . ?
Ag2 P1 C63 C64 175.1(7) . . . . ?
Ag2 P1 C63 C68 -3.2(10) . . . . ?
Ag2 P2 C79 C80 156.3(8) . . . . ?
Ag2 P2 C79 C84 -24.5(11) . . . . ?
Ag2 P2 C69 C70 100.8(6) . . . . ?
Ag2 P2 C69 C78 -78.5(8) . . . . ?
Ag2 P2 C85 C86 177.9(8) . . . . ?
Ag2 P2 C85 C90 0.1(11) . . . . ?
P1 C53 C54 C55 176.5(13) . . . . ?
P1 C53 C54 C54 -1(2) . . . 2_565 ?
P1 C53 C62 C61 -173.3(15) . . . . ?
P1 C52 C51 C50 -174.5(10) . . . . ?
P1 C63 C68 C67 178.4(11) . . . . ?
P2 C79 C80 C81 179.2(13) . . . . ?
P2 C79 C84 C83 -179.2(13) . . . . ?
P2 C85 C90 C89 177.9(12) . . . . ?
O7 C34 C33 C35 14.3(15) . . . . ?
O7 C34 C33 C32 -166.7(13) . . . . ?
C56 C55 C60 C59 -5(3) . . . . ?
C56 C55 C60 C61 178.9(18) . . . . ?
C56 C55 C54 C53 -179.2(16) . . . . ?
C56 C55 C54 C54 -2(3) . . . 2_565 ?
C55 C56 C57 C58 0(3) . . . . ?
C55 C60 C61 C62 -2(3) . . . . ?
C53 P1 C52 C47 137.9(9) . . . . ?
C53 P1 C52 C51 -47.4(10) . . . . ?
C53 P1 C63 C64 52.0(11) . . . . ?
C53 P1 C63 C68 -126.3(9) . . . . ?
C53 C62 C61 C60 -1(3) . . . . ?
C59 C58 C57 C56 0(3) . . . . ?
C59 C60 C61 C62 -178.2(17) . . . . ?
O10 C37 C38 C40 -176(2) . . . . ?
O10 C37 C38 C39 -3(4) . . . . ?
O10 C37 C36 C35 0(4) . . . . ?
O10 C37 C36 C46 176(2) . . . . ?
C58 C59 C60 C55 5(3) . . . . ?
C58 C59 C60 C61 -178(2) . . . . ?
C60 C55 C54 C53 -6(3) . . . . ?
C60 C55 C54 C54 171.5(17) . . . 2_565 ?
C60 C59 C58 C57 -3(3) . . . . ?
O4 C3 C2 C7 173.8(15) . . . . ?
O4 C3 C2 C1 -6(2) . . . . ?
C57 C56 C55 C60 2(3) . . . . ?
C57 C56 C55 C54 175.8(18) . . . . ?
C76 C75 C74 C73 -7(3) . . . . ?
C76 C77 C78 C78 -5.0(18) . . . 2_565 ?
C76 C77 C78 C69 175.9(15) . . . . ?
C54 C55 C60 C59 -178.1(16) . . . . ?
C54 C55 C60 C61 5(3) . . . . ?
C54 C53 C62 C61 1(3) . . . . ?
C12 C4 C3 O4 7.5(19) . . . . ?
C12 C4 C3 C2 -179.1(19) . . . . ?
C12 C4 C5 C6 179(2) . . . . ?
C12 C4 C5 C11 -1(2) . . . . ?
C12 C13 C14 C15 167(2) . . . . ?
C12 C13 C14 O3 6(2) . . . . ?
C75 C76 C77 C72 -3(2) . . . . ?
C75 C76 C77 C78 -179.2(16) . . . . ?
C62 C53 C54 C55 2(2) . . . . ?
C62 C53 C54 C54 -174.6(18) . . . 2_565 ?
C79 P2 C69 C70 -128.8(8) . . . . ?
C79 P2 C69 C78 52.0(10) . . . . ?
C79 P2 C85 C86 47.3(11) . . . . ?
C79 P2 C85 C90 -130.5(10) . . . . ?
C79 C80 C81 C82 0.0 . . . . ?
C80 C79 C84 C83 0.0 . . . . ?
C80 C81 C82 C83 0.0 . . . . ?
C81 C82 C83 C84 0.0 . . . . ?
C82 C83 C84 C79 0.0 . . . . ?
C84 C79 C80 C81 0.0 . . . . ?
C70 C71 C72 C77 0.0 . . . . ?
C70 C71 C72 C73 -178.2(15) . . . . ?
C71 C70 C69 P2 -179.3(9) . . . . ?
C71 C70 C69 C78 0.0 . . . . ?
C71 C72 C77 C76 -176.2(14) . . . . ?
C71 C72 C77 C78 0.0 . . . . ?
C71 C72 C73 C74 174.4(17) . . . . ?
C72 C77 C78 C78 179.1(15) . . . 2_565 ?
C72 C77 C78 C69 0.0 . . . . ?
C72 C73 C74 C75 6(3) . . . . ?
C77 C76 C75 C74 6(3) . . . . ?
C77 C72 C73 C74 -4(3) . . . . ?
C77 C78 C69 P2 179.2(10) . . . . ?
C77 C78 C69 C70 0.0 . . . . ?
C78 C78 C69 P2 0.2(14) 2_565 . . . ?
C78 C78 C69 C70 -179.1(16) 2_565 . . . ?
C69 P2 C79 C80 32.5(12) . . . . ?
C69 P2 C79 C84 -148.4(9) . . . . ?
C69 P2 C85 C86 -63.0(11) . . . . ?
C69 P2 C85 C90 119.2(9) . . . . ?
C69 C70 C71 C72 0.0 . . . . ?
C73 C72 C77 C76 2.0(17) . . . . ?
C73 C72 C77 C78 178.2(14) . . . . ?
C89 C88 C87 C86 0.0 . . . . ?
C88 C89 C90 C85 0.0 . . . . ?
C88 C87 C86 C85 0.0 . . . . ?
C87 C86 C85 P2 -177.8(13) . . . . ?
C87 C86 C85 C90 0.0 . . . . ?
C86 C85 C90 C89 0.0 . . . . ?
C85 P2 C79 C80 -75.0(11) . . . . ?
C85 P2 C79 C84 104.2(10) . . . . ?
C85 P2 C69 C70 -23.8(9) . . . . ?
C85 P2 C69 C78 156.9(8) . . . . ?
C90 C89 C88 C87 0.0 . . . . ?
C49 C48 C47 C52 0.0 . . . . ?
C48 C49 C50 C51 0.0 . . . . ?
C48 C47 C52 P1 174.8(10) . . . . ?
C48 C47 C52 C51 0.0 . . . . ?
C47 C52 C51 C50 0.0 . . . . ?
C52 P1 C53 C54 154.9(14) . . . . ?
C52 P1 C53 C62 -31.0(16) . . . . ?
C52 P1 C63 C64 -57.8(10) . . . . ?
C52 P1 C63 C68 123.9(9) . . . . ?
C52 C51 C50 C49 0.0 . . . . ?
C50 C49 C48 C47 0.0 . . . . ?
C37 C38 C40 C41 1(4) . . . . ?
C37 C38 C39 O11 23(5) . . . . ?
C37 C38 C39 O12 -170(3) . . . . ?
C44 C45 C46 C41 0.0 . . . . ?
C44 C45 C46 C36 -174.3(19) . . . . ?
C45 C44 C43 C42 0.0 . . . . ?
C45 C46 C41 C42 0.0 . . . . ?
C45 C46 C41 C40 -174(2) . . . . ?
C45 C46 C36 C35 -9(3) . . . . ?
C45 C46 C36 C37 175(2) . . . . ?
C46 C41 C42 C43 0.0 . . . . ?
C46 C41 C40 C38 -1(4) . . . . ?
C41 C46 C36 C35 176.1(19) . . . . ?
C41 C46 C36 C37 0(3) . . . . ?
C41 C42 C43 C44 0.0 . . . . ?
C42 C41 C40 C38 -175(2) . . . . ?
C43 C44 C45 C46 0.0 . . . . ?
C4 C12 C13 C23 -83(3) . . . . ?
C4 C12 C13 C14 111(2) . . . . ?
C4 C3 C2 C7 0.0 . . . . ?
C4 C3 C2 C1 -179(2) . . . . ?
C4 C5 C11 C10 180.0 . . . . ?
C3 C4 C5 C6 0.0 . . . . ?
C3 C4 C5 C11 180.0 . . . . ?
C3 C2 C7 C6 0.0 . . . . ?
C3 C2 C1 O6 -159(2) . . . . ?
C3 C2 C1 O5 9(4) . . . . ?
C2 C7 C6 C5 0.0 . . . . ?
C2 C7 C6 C8 180.0 . . . . ?
C7 C2 C1 O6 21(4) . . . . ?
C7 C2 C1 O5 -171(2) . . . . ?
C7 C6 C5 C4 0.0 . . . . ?
C7 C6 C5 C11 180.0 . . . . ?
C7 C6 C8 C9 180.0 . . . . ?
C6 C5 C11 C10 0.0 . . . . ?
C5 C4 C3 O4 -173.4(16) . . . . ?
C5 C4 C3 C2 0.0 . . . . ?
C5 C6 C8 C9 0.0 . . . . ?
C5 C11 C10 C9 0.0 . . . . ?
C11 C10 C9 C8 0.0 . . . . ?
C10 C9 C8 C6 0.0 . . . . ?
C8 C6 C5 C4 180.0 . . . . ?
C8 C6 C5 C11 0.0 . . . . ?
C28 C29 C30 C31 0.0 . . . . ?
C28 C27 C26 C25 180.0 . . . . ?
C29 C28 C27 C32 0.0 . . . . ?
C29 C28 C27 C26 180.0 . . . . ?
C29 C30 C31 C32 0.0 . . . . ?
C30 C31 C32 C27 0.0 . . . . ?
C30 C31 C32 C33 180.0 . . . . ?
C31 C32 C27 C28 0.0 . . . . ?
C31 C32 C27 C26 180.0 . . . . ?
C31 C32 C33 C35 -1.0(16) . . . . ?
C31 C32 C33 C34 180.0 . . . . ?
C32 C27 C26 C25 0.0 . . . . ?
C27 C28 C29 C30 0.0 . . . . ?
C27 C32 C33 C35 179.0(16) . . . . ?
C27 C32 C33 C34 0.0 . . . . ?
C27 C26 C25 C34 0.0 . . . . ?
C27 C26 C25 C24 175.8(18) . . . . ?
C26 C25 C34 O7 166.9(13) . . . . ?
C26 C25 C34 C33 0.0 . . . . ?
C26 C25 C24 O8 -174(3) . . . . ?
C26 C25 C24 O9 22(3) . . . . ?
C25 C34 C33 C35 -179.1(15) . . . . ?
C25 C34 C33 C32 0.0 . . . . ?
C34 C25 C24 O8 2(4) . . . . ?
C34 C25 C24 O9 -162(2) . . . . ?
C33 C35 C36 C37 112(3) . . . . ?
C33 C35 C36 C46 -64(3) . . . . ?
C33 C32 C27 C28 180.0 . . . . ?
C33 C32 C27 C26 0.0 . . . . ?
C64 C63 C68 C67 0.0 . . . . ?
C63 P1 C53 C54 47.7(16) . . . . ?
C63 P1 C53 C62 -138.2(14) . . . . ?
C63 P1 C52 C47 -109.5(8) . . . . ?
C63 P1 C52 C51 65.1(9) . . . . ?
C63 C64 C65 C66 0.0 . . . . ?
C63 C68 C67 C66 0.0 . . . . ?
C68 C67 C66 C65 0.0 . . . . ?
C67 C66 C65 C64 0.0 . . . . ?
C65 C64 C63 P1 -178.3(11) . . . . ?
C65 C64 C63 C68 0.0 . . . . ?
N1 C93 C94 C94 -144.0(9) . . . 10_656 ?
N1 C93 C94 C94 144.0(8) . . . 7_665 ?
Zr1 O7 C34 C25 -6(2) . . . . ?
Zr1 O7 C34 C33 161.0(11) . . . . ?
Zr1 O4 C3 C4 164.1(15) . . . . ?
Zr1 O4 C3 C2 -10(3) . . . . ?
Zr1 O8 C24 O9 -177(2) . . . . ?
Zr1 O8 C24 C25 19(5) . . . . ?
Zr1 O5 C1 O6 169(2) . . . . ?
Zr1 O5 C1 C2 2(5) . . . . ?
Zr1 O1 C16 C15 33(5) 7_665 . . . ?
Zr1 O1 C16 O2 -172(3) 7_665 . . . ?
Zr2 O10 C37 C38 -21(4) . . . . ?
Zr2 O10 C37 C36 163.4(19) . . . . ?
Zr2 O11 C39 C38 -23(5) . . . . ?
Zr2 O11 C39 O12 170(2) . . . . ?
C22 C21 C20 C19 0.0 . . . . ?
C22 C23 C13 C12 13(2) . . . . ?
C22 C23 C13 C14 180.0 . . . . ?
C21 C22 C23 C18 0.0 . . . . ?
C21 C22 C23 C13 180.0 . . . . ?
C21 C20 C19 C18 0.0 . . . . ?
C20 C19 C18 C23 0.0 . . . . ?
C20 C19 C18 C17 180.0 . . . . ?
C19 C18 C23 C22 0.0 . . . . ?
C19 C18 C23 C13 180.0 . . . . ?
C19 C18 C17 C15 180.0 . . . . ?
C18 C23 C13 C12 -167(2) . . . . ?
C18 C23 C13 C14 0.0 . . . . ?
C23 C22 C21 C20 0.0 . . . . ?
C23 C18 C17 C15 0.0 . . . . ?
C23 C13 C14 C15 0.0 . . . . ?
C23 C13 C14 O3 -160.6(19) . . . . ?
C13 C12 C4 C3 115.4(19) . . . . ?
C13 C12 C4 C5 -64(3) . . . . ?
C13 C14 C15 C17 0.0 . . . . ?
C13 C14 C15 C16 -171(2) . . . . ?
C13 C14 O3 Zr1 167.0(14) . . . 7_665 ?
C14 C15 C17 C18 0.0 . . . . ?
C14 C15 C16 O2 -162(3) . . . . ?
C14 C15 C16 O1 -6(4) . . . . ?
C15 C14 O3 Zr1 7(3) . . . 7_665 ?
C17 C18 C23 C22 180.0 . . . . ?
C17 C18 C23 C13 0.0 . . . . ?
C17 C15 C16 O2 26(4) . . . . ?
C17 C15 C16 O1 -177(2) . . . . ?
O3 C14 C15 C17 159(2) . . . . ?
O3 C14 C15 C16 -12(3) . . . . ?
C38 C37 C36 C35 -176(3) . . . . ?
C38 C37 C36 C46 0(4) . . . . ?
C40 C41 C42 C43 175(2) . . . . ?
C40 C38 C39 O11 -164(3) . . . . ?
C40 C38 C39 O12 2(5) . . . . ?
C16 C15 C17 C18 172(2) . . . . ?
C24 C25 C34 O7 -9(2) . . . . ?
C24 C25 C34 C33 -175.6(19) . . . . ?
C1 C2 C7 C6 179.4(19) . . . . ?
C36 C35 C33 C32 -71(3) . . . . ?
C36 C35 C33 C34 108(2) . . . . ?
C36 C37 C38 C40 -1(4) . . . . ?
C36 C37 C38 C39 173(3) . . . . ?
C36 C46 C41 C42 174.5(19) . . . . ?
C36 C46 C41 C40 0(2) . . . . ?
C39 C38 C40 C41 -173(3) . . . . ?
C94 C93 C94 C94 -72.0(18) 10_656 . . 7_665 ?
C94 C93 C94 C94 72.0(18) 7_665 . . 10_656 ?

_platon_squeeze_details          ?
_platon_squeeze_special_details  ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 8902 2850 ' '
2 0.500 0.000 0.000 28 0 ' '
3 0.500 0.000 0.500 28 0 ' '
4 0.000 0.000 0.500 28 0 ' '
5 0.500 0.500 0.500 8902 2850 ' '
6 1.000 0.500 0.500 28 0 ' '
7 0.500 0.500 0.000 28 0 ' '
8 0.000 0.500 0.000 28 0 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;

loop_
_publcif_info_exptl_table_extra_item
sin_theta_over_lambda_max

loop_
_publcif_info_exptl_table_header_item
?



_publcif_funding_html            
;
;
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_S-Ag
_database_code_depnum_ccdc_archive 'CCDC 2356641'
loop_
_audit_author_name
_audit_author_address
'Yan-Ping He'
;Fujian Institute of Research on the Structure of Matter
China
;

_audit_update_record             
;
2024-05-20 deposited with the CCDC.	2024-08-07 downloaded from the CCDC.
;
_publcif_datablock.id            {64a6a7bb-c72d-4323-9670-d04b93d0e497}
_audit_creation_date             2024-03-12
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C88 H64 Ag P4, Cl O4'
_chemical_formula_sum            'C88 H65 Ag Cl O4 P4'
_chemical_formula_weight         1453.60
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Ag P C H O N'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   12.0113(2)
_cell_length_b                   21.6324(4)
_cell_length_c                   28.7482(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7469.7(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    38981
_cell_measurement_temperature    297.60(10)
_cell_measurement_theta_max      30.8160
_cell_measurement_theta_min      2.0820
_shelx_estimated_absorpt_T_max   0.957
_shelx_estimated_absorpt_T_min   0.879
_exptl_absorpt_coefficient_mu    0.442
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.56481
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.85a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.293
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2996
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0427
_diffrn_reflns_av_unetI/netI     0.0420
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.869
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            87469
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.832
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.915
_diffrn_reflns_theta_min         1.701
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      297.60(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.869
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -50.00   9.00   0.50    1.20    --    6.21 -38.00  90.00  118
  2  ω    -18.00  28.00   0.50    1.20    --   -5.50 -99.00  90.00   92
  3  ω    -18.00  40.00   0.50    1.20    --    6.21 -99.00 -60.00  116
  4  ω    -81.00  10.00   0.50    1.20    --   -5.50 -19.00   0.00  182
  5  ω     -8.00  74.00   0.50    1.20    --    6.21  57.00 120.00  164
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0153440000
_diffrn_orient_matrix_UB_12      0.0235555000
_diffrn_orient_matrix_UB_13      0.0158831000
_diffrn_orient_matrix_UB_21      0.0237680000
_diffrn_orient_matrix_UB_22      0.0225409000
_diffrn_orient_matrix_UB_23      -0.0149580000
_diffrn_orient_matrix_UB_31      -0.0518585000
_diffrn_orient_matrix_UB_32      0.0033403000
_diffrn_orient_matrix_UB_33      -0.0115235000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Mova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.767
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.788
_reflns_number_gt                15678
_reflns_number_total             19671
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.85a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.85a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.85a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.644
_refine_diff_density_min         -0.851
_refine_diff_density_rms         0.120
_refine_ls_abs_structure_details 
;
 Flack x determined using 6049 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.018(7)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     858
_refine_ls_number_reflns         19671
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0676
_refine_ls_R_factor_gt           0.0520
_refine_ls_restrained_S_all      1.035
_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)+(0.1116P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1473
_refine_ls_wR_factor_ref         0.1582
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C6(H6), C18(H18), C22(H22), C24(H24), C30(H30), C32(H32), C34(H34), C42(H42),
 C48(H48), C58(H58), C62(H62), C64(H64), C66(H66), C70(H70), C72(H72), C76(H76),
  C78(H78), C80(H80), C82(H82), C86(H86), C88(H88), C45(H45), C23(H23),
 C47(H47), C3(H3), C49(H49), C25(H25), C51(H51), C13(H13), C53(H53), C27(H27),
 C55(H55), C7(H7), C57(H57), C29(H29), C59(H59), C15(H15), C61(H61), C31(H31),
 C63(H63), C2(H2), C65(H65), C33(H33), C67(H67), C17(H17), C69(H69), C35(H35),
 C71(H71), C9(H9), C73(H73), C37(H37), C75(H75), C19(H19), C77(H77), C39(H39),
 C79(H79), C5(H5), C81(H81), C41(H41), C83(H83), C21(H21), C85(H85), C43(H43),
 C87(H87)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Ag1 Ag 0.27948(3) 0.60746(2) 0.71072(2) 0.03895(10) Uani 1 1 d . . . . .
P2 P 0.27733(11) 0.71656(5) 0.74757(4) 0.0380(2) Uani 1 1 d . . . . .
P3 P 0.41934(9) 0.58737(5) 0.64486(4) 0.0357(2) Uani 1 1 d . . . . .
P4 P 0.12080(9) 0.57368(6) 0.65643(4) 0.0350(2) Uani 1 1 d . . . . .
P1 P 0.29837(10) 0.56020(5) 0.79274(4) 0.0407(3) Uani 1 1 d . . . . .
C1 C 0.4395(5) 0.5589(2) 0.8163(2) 0.0516(13) Uani 1 1 d . . . . .
C4 C 0.5523(4) 0.6288(2) 0.64952(19) 0.0444(11) Uani 1 1 d . . . . .
C6 C 0.1028(5) 0.5785(3) 0.84318(18) 0.0544(13) Uani 1 1 d . . . . .
H6 H 0.084630 0.539436 0.832044 0.065 Uiso 1 1 calc R U . . .
C8 C 0.1569(5) 0.6945(3) 0.87802(17) 0.0501(13) Uani 1 1 d . . . . .
C10 C 0.4279(5) 0.6888(3) 0.8773(2) 0.0527(13) Uani 1 1 d . . . . .
C12 C 0.0675(4) 0.6360(3) 0.62001(17) 0.0447(11) Uani 1 1 d . . . . .
C14 C 0.3718(4) 0.7172(2) 0.79780(18) 0.0416(10) Uani 1 1 d . . . . .
C16 C 0.3231(5) 0.7829(2) 0.7125(2) 0.0492(11) Uani 1 1 d . . . . .
C18 C 0.0255(5) 0.6113(4) 0.86857(19) 0.0646(16) Uani 1 1 d . . . . .
H18 H -0.045045 0.594729 0.873428 0.077 Uiso 1 1 calc R U . . .
C20 C 0.1410(5) 0.7402(2) 0.76891(17) 0.0462(11) Uani 1 1 d . . . . .
C22 C -0.1064(8) 0.5062(5) 0.7483(3) 0.094(3) Uani 1 1 d . . . . .
H22 H -0.111015 0.501408 0.780433 0.113 Uiso 1 1 calc R U . . .
C24 C 0.0530(5) 0.7008(3) 0.7618(2) 0.0515(12) Uani 1 1 d . . . . .
H24 H 0.063694 0.663797 0.745892 0.062 Uiso 1 1 calc R U . . .
C26 C 0.2097(4) 0.6034(2) 0.83375(15) 0.0412(9) Uani 1 1 d . . . . .
C28 C 0.3463(4) 0.6906(2) 0.84051(18) 0.0432(11) Uani 1 1 d . . . . .
C30 C 0.4829(5) 0.7391(3) 0.7904(3) 0.0566(13) Uani 1 1 d . . . . .
H30 H 0.500673 0.756478 0.761762 0.068 Uiso 1 1 calc R U . . .
C32 C 0.1807(7) 0.7530(3) 0.8977(2) 0.0656(17) Uani 1 1 d . . . . .
H32 H 0.250402 0.770683 0.893154 0.079 Uiso 1 1 calc R U . . .
C34 C -0.1900(8) 0.4862(5) 0.7214(4) 0.101(3) Uani 1 1 d . . . . .
H34 H -0.251603 0.467449 0.735101 0.121 Uiso 1 1 calc R U . . .
C36 C -0.0061(4) 0.5399(3) 0.68078(18) 0.0452(11) Uani 1 1 d . . . . .
C38 C 0.4640(4) 0.5077(2) 0.63677(18) 0.0416(10) Uani 1 1 d . . . . .
C40 C 0.2472(4) 0.4078(2) 0.56738(19) 0.0483(12) Uani 1 1 d . . . . .
C42 C 0.0089(4) 0.6266(3) 0.5782(2) 0.0526(13) Uani 1 1 d . . . . .
H42 H -0.003823 0.586577 0.567713 0.063 Uiso 1 1 calc R U . . .
C44 C 0.2782(4) 0.5833(2) 0.56484(14) 0.0372(8) Uani 1 1 d . . . . .
C46 C 0.3605(4) 0.6144(2) 0.58931(15) 0.0364(9) Uani 1 1 d . . . . .
C48 C -0.0527(5) 0.7163(4) 0.7784(2) 0.0696(19) Uani 1 1 d . . . . .
H48 H -0.112050 0.689545 0.773368 0.084 Uiso 1 1 calc R U . . .
C50 C 0.2360(5) 0.6616(2) 0.85010(16) 0.0442(11) Uani 1 1 d . . . . .
C52 C 0.1704(4) 0.5116(2) 0.61784(15) 0.0365(9) Uani 1 1 d . . . . .
C54 C 0.2761(5) 0.4679(2) 0.55343(17) 0.0447(10) Uani 1 1 d . . . . .
C56 C 0.2312(4) 0.6107(3) 0.52388(16) 0.0452(10) Uani 1 1 d . . . . .
C58 C -0.0695(6) 0.7691(4) 0.8014(3) 0.0724(19) Uani 1 1 d . . . . .
H58 H -0.140081 0.778608 0.812685 0.087 Uiso 1 1 calc R U . . .
C60 C 0.0516(5) 0.6684(4) 0.88682(19) 0.0601(16) Uani 1 1 d . . . . .
C62 C 0.3414(5) 0.7025(3) 0.5373(2) 0.0547(13) Uani 1 1 d . . . . .
H62 H 0.360401 0.742897 0.529530 0.066 Uiso 1 1 calc R U . . .
C64 C -0.0918(6) 0.5177(4) 0.6537(3) 0.080(2) Uani 1 1 d . . . . .
H64 H -0.085340 0.519474 0.621510 0.096 Uiso 1 1 calc R U . . .
C66 C 0.4441(6) 0.4666(3) 0.6725(2) 0.0640(16) Uani 1 1 d . . . . .
H66 H 0.407367 0.479998 0.699109 0.077 Uiso 1 1 calc R U . . .
C68 C 0.2619(5) 0.6715(3) 0.51051(18) 0.0533(13) Uani 1 1 d . . . . .
C70 C 0.3921(5) 0.6750(2) 0.57463(18) 0.0465(11) Uani 1 1 d . . . . .
H70 H 0.447801 0.696045 0.590600 0.056 Uiso 1 1 calc R U . . .
C72 C 0.6191(7) 0.7055(4) 0.9030(3) 0.084(2) Uani 1 1 d . . . . .
H72 H 0.690733 0.720183 0.897766 0.100 Uiso 1 1 calc R U . . .
C74 C 0.2392(4) 0.5206(2) 0.57982(16) 0.0373(9) Uani 1 1 d . . . . .
C76 C 0.1212(6) 0.7950(3) 0.7923(3) 0.0634(15) Uani 1 1 d . . . . .
H76 H 0.179198 0.822713 0.797244 0.076 Uiso 1 1 calc R U . . .
C78 C 0.0837(6) 0.6952(3) 0.6351(2) 0.0580(14) Uani 1 1 d . . . . .
H78 H 0.122082 0.702041 0.662753 0.070 Uiso 1 1 calc R U . . .
C80 C 0.1439(5) 0.4499(2) 0.63212(19) 0.0491(12) Uani 1 1 d . . . . .
H80 H 0.100230 0.443489 0.658412 0.059 Uiso 1 1 calc R U . . .
C82 C -0.0004(8) 0.7586(5) 0.9313(3) 0.095(3) Uani 1 1 d . . . . .
H82 H -0.053227 0.780504 0.948293 0.113 Uiso 1 1 calc R U . . .
C84 C 0.5366(6) 0.7108(3) 0.8676(3) 0.0660(18) Uani 1 1 d . . . . .
C86 C 0.5619(5) 0.7356(3) 0.8228(3) 0.0681(18) Uani 1 1 d . . . . .
H86 H 0.633546 0.749323 0.816235 0.082 Uiso 1 1 calc R U . . .
C88 C 0.3291(6) 0.7756(3) 0.6656(2) 0.0669(16) Uani 1 1 d . . . . .
H88 H 0.311098 0.737355 0.652910 0.080 Uiso 1 1 calc R U . . .
C11 C 0.2532(5) 0.4802(3) 0.7995(2) 0.0610(16) Uani 1 1 d . . . . .
C45 C 0.3548(8) 0.8401(3) 0.7317(3) 0.075(2) Uani 1 1 d . . . . .
H45 H 0.353935 0.845526 0.763776 0.090 Uiso 1 1 calc R U . . .
C23 C 0.5232(6) 0.5726(3) 0.7854(3) 0.0709(18) Uani 1 1 d . . . . .
H23 H 0.505720 0.582039 0.754744 0.085 Uiso 1 1 calc R U . . .
C47 C 0.1819(5) 0.4007(2) 0.6076(2) 0.0530(12) Uani 1 1 d . . . . .
H47 H 0.164194 0.361074 0.617690 0.064 Uiso 1 1 calc R U . . .
C3 C 0.4045(7) 0.6642(3) 0.9211(2) 0.0663(17) Uani 1 1 d . . . . .
H3 H 0.332941 0.651035 0.928389 0.080 Uiso 1 1 calc R U . . .
C49 C 0.4626(7) 0.5446(3) 0.8623(3) 0.0709(19) Uani 1 1 d . . . . .
H49 H 0.406561 0.536162 0.883738 0.085 Uiso 1 1 calc R U . . .
C25 C 0.5929(9) 0.6789(5) 0.9444(4) 0.100(3) Uani 1 1 d . . . . .
H25 H 0.648243 0.674004 0.966690 0.120 Uiso 1 1 calc R U . . .
C51 C -0.0130(6) 0.5340(3) 0.7292(2) 0.0644(16) Uani 1 1 d . . . . .
H51 H 0.044082 0.548463 0.748135 0.077 Uiso 1 1 calc R U . . .
C13 C 0.6390(7) 0.6207(5) 0.6194(4) 0.104(4) Uani 1 1 d . . . . .
H13 H 0.630324 0.593468 0.594622 0.125 Uiso 1 1 calc R U . . .
C53 C 0.2240(9) 0.4488(3) 0.7596(3) 0.089(2) Uani 1 1 d . . . . .
H53 H 0.230735 0.468325 0.730944 0.107 Uiso 1 1 calc R U . . .
C27 C 0.2106(7) 0.6999(4) 0.4720(2) 0.0736(19) Uani 1 1 d . . . . .
H27 H 0.227892 0.740633 0.464481 0.088 Uiso 1 1 calc R U . . .
C55 C -0.1860(6) 0.4931(5) 0.6728(3) 0.094(3) Uani 1 1 d . . . . .
H55 H -0.245633 0.481280 0.654158 0.112 Uiso 1 1 calc R U . . .
C7 C 0.1022(9) 0.7841(4) 0.9235(2) 0.087(3) Uani 1 1 d . . . . .
H7 H 0.118990 0.822743 0.935772 0.104 Uiso 1 1 calc R U . . .
C57 C 0.0154(6) 0.8086(4) 0.8084(3) 0.0740(19) Uani 1 1 d . . . . .
H57 H 0.002921 0.845533 0.824147 0.089 Uiso 1 1 calc R U . . .
C29 C 0.5190(5) 0.4863(3) 0.5976(2) 0.0591(15) Uani 1 1 d . . . . .
H29 H 0.531169 0.512576 0.572524 0.071 Uiso 1 1 calc R U . . .
C59 C 0.6619(9) 0.5578(5) 0.8442(6) 0.124(5) Uani 1 1 d . . . . .
H59 H 0.735911 0.557573 0.853690 0.148 Uiso 1 1 calc R U . . .
C15 C 0.6350(7) 0.5724(4) 0.7997(4) 0.098(3) Uani 1 1 d . . . . .
H15 H 0.690789 0.582281 0.778593 0.117 Uiso 1 1 calc R U . . .
C61 C 0.3819(7) 0.4241(4) 0.4893(2) 0.079(2) Uani 1 1 d . . . . .
H61 H 0.427398 0.429466 0.463446 0.094 Uiso 1 1 calc R U . . .
C31 C 0.1070(6) 0.6071(4) 0.4580(2) 0.0750(19) Uani 1 1 d . . . . .
H31 H 0.056555 0.585459 0.439648 0.090 Uiso 1 1 calc R U . . .
C63 C -0.0267(7) 0.7000(5) 0.9139(2) 0.082(2) Uani 1 1 d . . . . .
H63 H -0.095460 0.682215 0.920356 0.098 Uiso 1 1 calc R U . . .
C2 C -0.0295(6) 0.6753(4) 0.5530(2) 0.0685(18) Uani 1 1 d . . . . .
H2 H -0.066850 0.668484 0.525106 0.082 Uiso 1 1 calc R U . . .
C65 C 0.0433(7) 0.7461(4) 0.6097(3) 0.079(2) Uani 1 1 d . . . . .
H65 H 0.054492 0.786226 0.620441 0.095 Uiso 1 1 calc R U . . .
C33 C 0.4785(8) 0.4050(4) 0.6690(3) 0.087(2) Uani 1 1 d . . . . .
H33 H 0.462493 0.377668 0.693115 0.104 Uiso 1 1 calc R U . . .
C67 C 0.5642(7) 0.6714(5) 0.6823(3) 0.102(4) Uani 1 1 d . . . . .
H67 H 0.506511 0.679099 0.703077 0.122 Uiso 1 1 calc R U . . .
C17 C -0.0127(7) 0.7357(4) 0.5689(3) 0.077(2) Uani 1 1 d . . . . .
H17 H -0.039685 0.768911 0.551704 0.093 Uiso 1 1 calc R U . . .
C69 C 0.1508(5) 0.5785(3) 0.4961(2) 0.0583(14) Uani 1 1 d . . . . .
H69 H 0.128738 0.538671 0.503998 0.070 Uiso 1 1 calc R U . . .
C35 C 0.3868(10) 0.8873(3) 0.7036(4) 0.117(4) Uani 1 1 d . . . . .
H35 H 0.404602 0.925591 0.716314 0.141 Uiso 1 1 calc R U . . .
C71 C 0.3449(6) 0.4748(3) 0.5139(2) 0.0655(17) Uani 1 1 d . . . . .
H71 H 0.365571 0.514230 0.504280 0.079 Uiso 1 1 calc R U . . .
C9 C 0.5561(6) 0.4252(3) 0.5957(3) 0.079(2) Uani 1 1 d . . . . .
H9 H 0.596157 0.411253 0.570082 0.095 Uiso 1 1 calc R U . . .
C73 C 0.2847(7) 0.3563(3) 0.5421(2) 0.0674(16) Uani 1 1 d . . . . .
H73 H 0.264917 0.316704 0.551571 0.081 Uiso 1 1 calc R U . . .
C37 C 0.4898(9) 0.6597(4) 0.9537(3) 0.091(3) Uani 1 1 d . . . . .
H37 H 0.474525 0.642885 0.982807 0.109 Uiso 1 1 calc R U . . .
C75 C 0.5788(12) 0.5435(4) 0.8750(5) 0.118(5) Uani 1 1 d . . . . .
H75 H 0.598104 0.532639 0.905215 0.141 Uiso 1 1 calc R U . . .
C19 C 0.1347(7) 0.6676(4) 0.4454(2) 0.082(2) Uani 1 1 d . . . . .
H19 H 0.102461 0.685777 0.419359 0.099 Uiso 1 1 calc R U . . .
C77 C 0.3507(8) 0.3642(4) 0.5034(3) 0.083(2) Uani 1 1 d . . . . .
H77 H 0.374695 0.330005 0.486553 0.100 Uiso 1 1 calc R U . . .
C39 C 0.5328(7) 0.3850(3) 0.6325(3) 0.081(2) Uani 1 1 d . . . . .
H39 H 0.555916 0.344049 0.631099 0.097 Uiso 1 1 calc R U . . .
C79 C 0.3610(10) 0.8230(4) 0.6358(3) 0.098(3) Uani 1 1 d . . . . .
H79 H 0.360887 0.817594 0.603754 0.117 Uiso 1 1 calc R U . . .
C5 C 0.1836(14) 0.3602(5) 0.7981(7) 0.163(7) Uani 1 1 d . . . . .
H5 H 0.166446 0.318262 0.796796 0.196 Uiso 1 1 calc R U . . .
C81 C 0.3929(12) 0.8783(4) 0.6555(4) 0.117(4) Uani 1 1 d . . . . .
H81 H 0.418780 0.910007 0.636558 0.141 Uiso 1 1 calc R U . . .
C41 C 0.7512(7) 0.6917(5) 0.6622(5) 0.109(4) Uani 1 1 d . . . . .
H41 H 0.820379 0.708260 0.669740 0.131 Uiso 1 1 calc R U . . .
C83 C 0.1854(17) 0.3899(5) 0.7615(5) 0.167(8) Uani 1 1 d . . . . .
H83 H 0.159653 0.371402 0.734320 0.200 Uiso 1 1 calc R U . . .
C21 C 0.7373(7) 0.6509(5) 0.6243(5) 0.123(4) Uani 1 1 d . . . . .
H21 H 0.794673 0.644785 0.603074 0.148 Uiso 1 1 calc R U . . .
C85 C 0.2449(11) 0.4494(4) 0.8415(4) 0.117(4) Uani 1 1 d . . . . .
H85 H 0.264022 0.468950 0.869154 0.140 Uiso 1 1 calc R U . . .
C43 C 0.6637(10) 0.7048(8) 0.6856(5) 0.168(8) Uani 1 1 d . . . . .
H43 H 0.666283 0.738250 0.705814 0.201 Uiso 1 1 calc R U . . .
C87 C 0.2061(14) 0.3868(6) 0.8413(6) 0.158(6) Uani 1 1 d . . . . .
H87 H 0.196404 0.364812 0.868841 0.190 Uiso 1 1 calc R U . . .
Cl5 Cl -0.1690(3) 0.47808(14) 0.51914(10) 0.1052(7) Uiso 1 1 d . . . . .
O1 O -0.229(3) 0.4538(13) 0.4807(9) 0.352(13) Uiso 1 1 d . . . . .
O2 O -0.092(3) 0.5109(17) 0.4823(11) 0.399(15) Uiso 1 1 d . . . . .
O3 O -0.2179(8) 0.5223(4) 0.5472(3) 0.121(2) Uiso 1 1 d . . . . .
O4 O -0.0679(17) 0.4564(9) 0.5347(6) 0.254(8) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 P2 2.5870(11) . ?
Ag1 P3 2.5683(11) . ?
Ag1 P4 2.5695(12) . ?
Ag1 P1 2.5799(13) . ?
P2 C14 1.836(5) . ?
P2 C16 1.837(5) . ?
P2 C20 1.822(5) . ?
P3 C4 1.836(5) . ?
P3 C38 1.819(5) . ?
P3 C46 1.842(5) . ?
P4 C12 1.823(5) . ?
P4 C36 1.829(5) . ?
P4 C52 1.840(5) . ?
P1 C1 1.826(5) . ?
P1 C26 1.843(5) . ?
P1 C11 1.824(6) . ?
C1 C23 1.374(10) . ?
C1 C49 1.386(9) . ?
C4 C13 1.366(9) . ?
C4 C67 1.325(9) . ?
C6 H6 0.9300 . ?
C6 C18 1.378(10) . ?
C6 C26 1.418(8) . ?
C8 C32 1.416(9) . ?
C8 C50 1.433(7) . ?
C8 C60 1.407(10) . ?
C10 C28 1.443(7) . ?
C10 C84 1.418(10) . ?
C10 C3 1.395(10) . ?
C12 C42 1.408(8) . ?
C12 C78 1.367(9) . ?
C14 C28 1.391(8) . ?
C14 C30 1.432(8) . ?
C16 C88 1.360(9) . ?
C16 C45 1.407(8) . ?
C18 H18 0.9300 . ?
C18 C60 1.378(11) . ?
C20 C24 1.374(8) . ?
C20 C76 1.383(8) . ?
C22 H22 0.9300 . ?
C22 C34 1.340(14) . ?
C22 C51 1.387(10) . ?
C24 H24 0.9300 . ?
C24 C48 1.397(9) . ?
C26 C50 1.381(7) . ?
C28 C50 1.491(8) . ?
C30 H30 0.9300 . ?
C30 C86 1.331(10) . ?
C32 H32 0.9300 . ?
C32 C7 1.375(10) . ?
C34 H34 0.9300 . ?
C34 C55 1.409(14) . ?
C36 C64 1.378(9) . ?
C36 C51 1.399(8) . ?
C38 C66 1.379(8) . ?
C38 C29 1.386(8) . ?
C40 C54 1.404(8) . ?
C40 C47 1.406(8) . ?
C40 C73 1.404(8) . ?
C42 H42 0.9300 . ?
C42 C2 1.359(9) . ?
C44 C46 1.387(7) . ?
C44 C56 1.434(6) . ?
C44 C74 1.499(6) . ?
C46 C70 1.428(7) . ?
C48 H48 0.9300 . ?
C48 C58 1.336(12) . ?
C52 C74 1.384(6) . ?
C52 C80 1.434(7) . ?
C54 C74 1.439(7) . ?
C54 C71 1.413(8) . ?
C56 C68 1.419(8) . ?
C56 C69 1.434(8) . ?
C58 H58 0.9300 . ?
C58 C57 1.346(12) . ?
C60 C63 1.400(9) . ?
C62 H62 0.9300 . ?
C62 C68 1.398(9) . ?
C62 C70 1.370(8) . ?
C64 H64 0.9300 . ?
C64 C55 1.364(10) . ?
C66 H66 0.9300 . ?
C66 C33 1.400(10) . ?
C68 C27 1.408(9) . ?
C70 H70 0.9300 . ?
C72 H72 0.9300 . ?
C72 C84 1.424(9) . ?
C72 C25 1.357(15) . ?
C76 H76 0.9300 . ?
C76 C57 1.384(9) . ?
C78 H78 0.9300 . ?
C78 C65 1.407(9) . ?
C80 H80 0.9300 . ?
C80 C47 1.355(8) . ?
C82 H82 0.9300 . ?
C82 C7 1.368(15) . ?
C82 C63 1.398(15) . ?
C84 C86 1.429(11) . ?
C86 H86 0.9300 . ?
C88 H88 0.9300 . ?
C88 C79 1.389(10) . ?
C11 C53 1.378(10) . ?
C11 C85 1.381(11) . ?
C45 H45 0.9300 . ?
C45 C35 1.358(11) . ?
C23 H23 0.9300 . ?
C23 C15 1.403(11) . ?
C47 H47 0.9300 . ?
C3 H3 0.9300 . ?
C3 C37 1.393(10) . ?
C49 H49 0.9300 . ?
C49 C75 1.443(14) . ?
C25 H25 0.9300 . ?
C25 C37 1.334(15) . ?
C51 H51 0.9300 . ?
C13 H13 0.9300 . ?
C13 C21 1.357(13) . ?
C53 H53 0.9300 . ?
C53 C83 1.356(13) . ?
C27 H27 0.9300 . ?
C27 C19 1.381(12) . ?
C55 H55 0.9300 . ?
C7 H7 0.9300 . ?
C57 H57 0.9300 . ?
C29 H29 0.9300 . ?
C29 C9 1.395(9) . ?
C59 H59 0.9300 . ?
C59 C15 1.356(18) . ?
C59 C75 1.369(19) . ?
C15 H15 0.9300 . ?
C61 H61 0.9300 . ?
C61 C71 1.378(9) . ?
C61 C77 1.408(12) . ?
C31 H31 0.9300 . ?
C31 C69 1.363(9) . ?
C31 C19 1.398(13) . ?
C63 H63 0.9300 . ?
C2 H2 0.9300 . ?
C2 C17 1.398(12) . ?
C65 H65 0.9300 . ?
C65 C17 1.372(12) . ?
C33 H33 0.9300 . ?
C33 C39 1.308(12) . ?
C67 H67 0.9300 . ?
C67 C43 1.399(11) . ?
C17 H17 0.9300 . ?
C69 H69 0.9300 . ?
C35 H35 0.9300 . ?
C35 C81 1.398(15) . ?
C71 H71 0.9300 . ?
C9 H9 0.9300 . ?
C9 C39 1.398(12) . ?
C73 H73 0.9300 . ?
C73 C77 1.377(11) . ?
C37 H37 0.9300 . ?
C75 H75 0.9300 . ?
C19 H19 0.9300 . ?
C77 H77 0.9300 . ?
C39 H39 0.9300 . ?
C79 H79 0.9300 . ?
C79 C81 1.377(14) . ?
C5 H5 0.9300 . ?
C5 C83 1.23(2) . ?
C5 C87 1.40(2) . ?
C81 H81 0.9300 . ?
C41 H41 0.9300 . ?
C41 C21 1.412(16) . ?
C41 C43 1.280(16) . ?
C83 H83 0.9300 . ?
C21 H21 0.9300 . ?
C85 H85 0.9300 . ?
C85 C87 1.433(17) . ?
C43 H43 0.9300 . ?
C87 H87 0.9300 . ?
Cl5 O1 1.42(3) . ?
Cl5 O2 1.57(4) . ?
Cl5 O3 1.383(9) . ?
Cl5 O4 1.38(2) . ?

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
_geom_angle_publ_flag
P3 Ag1 P2 117.57(4) . . ?
P3 Ag1 P4 89.39(4) . . ?
P3 Ag1 P1 123.31(4) . . ?
P4 Ag1 P2 120.04(4) . . ?
P4 Ag1 P1 120.51(4) . . ?
P1 Ag1 P2 89.32(4) . . ?
C14 P2 Ag1 108.85(15) . . ?
C16 P2 Ag1 118.98(18) . . ?
C16 P2 C14 103.9(3) . . ?
C20 P2 Ag1 113.76(19) . . ?
C20 P2 C14 106.8(2) . . ?
C20 P2 C16 103.6(2) . . ?
C4 P3 Ag1 115.62(17) . . ?
C4 P3 C46 104.0(2) . . ?
C38 P3 Ag1 116.57(17) . . ?
C38 P3 C4 102.4(2) . . ?
C38 P3 C46 107.7(2) . . ?
C46 P3 Ag1 109.53(14) . . ?
C12 P4 Ag1 113.50(19) . . ?
C12 P4 C36 102.9(2) . . ?
C12 P4 C52 107.9(2) . . ?
C36 P4 Ag1 119.94(18) . . ?
C36 P4 C52 102.1(2) . . ?
C52 P4 Ag1 109.48(15) . . ?
C1 P1 Ag1 115.3(2) . . ?
C1 P1 C26 107.9(2) . . ?
C26 P1 Ag1 109.45(15) . . ?
C11 P1 Ag1 116.6(2) . . ?
C11 P1 C1 102.8(3) . . ?
C11 P1 C26 103.9(3) . . ?
C23 C1 P1 115.9(5) . . ?
C23 C1 C49 121.2(6) . . ?
C49 C1 P1 122.9(6) . . ?
C13 C4 P3 123.6(5) . . ?
C67 C4 P3 119.0(4) . . ?
C67 C4 C13 117.2(6) . . ?
C18 C6 H6 119.5 . . ?
C18 C6 C26 121.1(6) . . ?
C26 C6 H6 119.5 . . ?
C32 C8 C50 122.3(6) . . ?
C60 C8 C32 117.9(6) . . ?
C60 C8 C50 119.8(6) . . ?
C84 C10 C28 118.3(6) . . ?
C3 C10 C28 122.3(6) . . ?
C3 C10 C84 119.3(6) . . ?
C42 C12 P4 124.0(5) . . ?
C78 C12 P4 117.4(4) . . ?
C78 C12 C42 118.6(5) . . ?
C28 C14 P2 123.7(4) . . ?
C28 C14 C30 118.3(5) . . ?
C30 C14 P2 117.5(4) . . ?
C88 C16 P2 118.0(4) . . ?
C88 C16 C45 118.4(6) . . ?
C45 C16 P2 123.5(5) . . ?
C6 C18 H18 119.7 . . ?
C6 C18 C60 120.6(6) . . ?
C60 C18 H18 119.7 . . ?
C24 C20 P2 117.8(4) . . ?
C24 C20 C76 118.2(5) . . ?
C76 C20 P2 123.9(5) . . ?
C34 C22 H22 119.4 . . ?
C34 C22 C51 121.2(7) . . ?
C51 C22 H22 119.4 . . ?
C20 C24 H24 120.1 . . ?
C20 C24 C48 119.9(6) . . ?
C48 C24 H24 120.1 . . ?
C6 C26 P1 116.9(4) . . ?
C50 C26 P1 123.2(4) . . ?
C50 C26 C6 119.2(5) . . ?
C10 C28 C50 117.2(5) . . ?
C14 C28 C10 120.6(5) . . ?
C14 C28 C50 122.2(4) . . ?
C14 C30 H30 118.6 . . ?
C86 C30 C14 122.8(7) . . ?
C86 C30 H30 118.6 . . ?
C8 C32 H32 119.5 . . ?
C7 C32 C8 120.9(8) . . ?
C7 C32 H32 119.5 . . ?
C22 C34 H34 119.6 . . ?
C22 C34 C55 120.9(7) . . ?
C55 C34 H34 119.6 . . ?
C64 C36 P4 123.1(4) . . ?
C64 C36 C51 119.0(5) . . ?
C51 C36 P4 117.8(4) . . ?
C66 C38 P3 117.7(4) . . ?
C66 C38 C29 118.1(5) . . ?
C29 C38 P3 124.2(4) . . ?
C54 C40 C47 118.3(5) . . ?
C54 C40 C73 120.5(5) . . ?
C47 C40 C73 121.2(5) . . ?
C12 C42 H42 119.6 . . ?
C2 C42 C12 120.9(6) . . ?
C2 C42 H42 119.6 . . ?
C46 C44 C56 119.7(4) . . ?
C46 C44 C74 121.1(4) . . ?
C56 C44 C74 119.2(4) . . ?
C44 C46 P3 124.0(3) . . ?
C44 C46 C70 119.0(4) . . ?
C70 C46 P3 116.5(4) . . ?
C24 C48 H48 119.6 . . ?
C58 C48 C24 120.9(7) . . ?
C58 C48 H48 119.6 . . ?
C8 C50 C28 119.0(5) . . ?
C26 C50 C8 119.4(5) . . ?
C26 C50 C28 121.6(4) . . ?
C74 C52 P4 124.6(4) . . ?
C74 C52 C80 119.3(4) . . ?
C80 C52 P4 115.8(3) . . ?
C40 C54 C74 120.4(4) . . ?
C40 C54 C71 118.2(5) . . ?
C71 C54 C74 121.4(5) . . ?
C68 C56 C44 120.2(5) . . ?
C68 C56 C69 118.3(5) . . ?
C69 C56 C44 121.4(5) . . ?
C48 C58 H58 119.9 . . ?
C48 C58 C57 120.1(6) . . ?
C57 C58 H58 119.9 . . ?
C18 C60 C8 119.7(5) . . ?
C18 C60 C63 119.8(7) . . ?
C63 C60 C8 120.5(8) . . ?
C68 C62 H62 119.1 . . ?
C70 C62 H62 119.1 . . ?
C70 C62 C68 121.8(5) . . ?
C36 C64 H64 119.0 . . ?
C55 C64 C36 122.0(7) . . ?
C55 C64 H64 119.0 . . ?
C38 C66 H66 119.6 . . ?
C38 C66 C33 120.7(7) . . ?
C33 C66 H66 119.6 . . ?
C62 C68 C56 118.2(5) . . ?
C62 C68 C27 121.5(6) . . ?
C27 C68 C56 120.3(6) . . ?
C46 C70 H70 119.6 . . ?
C62 C70 C46 120.8(5) . . ?
C62 C70 H70 119.6 . . ?
C84 C72 H72 120.0 . . ?
C25 C72 H72 120.0 . . ?
C25 C72 C84 119.9(8) . . ?
C52 C74 C44 122.7(4) . . ?
C52 C74 C54 119.3(4) . . ?
C54 C74 C44 118.0(4) . . ?
C20 C76 H76 119.9 . . ?
C20 C76 C57 120.2(7) . . ?
C57 C76 H76 119.9 . . ?
C12 C78 H78 119.4 . . ?
C12 C78 C65 121.3(6) . . ?
C65 C78 H78 119.4 . . ?
C52 C80 H80 119.8 . . ?
C47 C80 C52 120.5(5) . . ?
C47 C80 H80 119.8 . . ?
C7 C82 H82 119.7 . . ?
C7 C82 C63 120.6(7) . . ?
C63 C82 H82 119.7 . . ?
C10 C84 C72 118.3(8) . . ?
C10 C84 C86 119.9(5) . . ?
C72 C84 C86 121.8(7) . . ?
C30 C86 C84 120.1(6) . . ?
C30 C86 H86 120.0 . . ?
C84 C86 H86 120.0 . . ?
C16 C88 H88 118.6 . . ?
C16 C88 C79 122.7(7) . . ?
C79 C88 H88 118.6 . . ?
C53 C11 P1 117.0(6) . . ?
C53 C11 C85 118.1(7) . . ?
C85 C11 P1 124.9(6) . . ?
C16 C45 H45 119.8 . . ?
C35 C45 C16 120.4(7) . . ?
C35 C45 H45 119.8 . . ?
C1 C23 H23 119.7 . . ?
C1 C23 C15 120.7(9) . . ?
C15 C23 H23 119.7 . . ?
C40 C47 H47 119.0 . . ?
C80 C47 C40 122.0(5) . . ?
C80 C47 H47 119.0 . . ?
C10 C3 H3 120.4 . . ?
C37 C3 C10 119.1(8) . . ?
C37 C3 H3 120.4 . . ?
C1 C49 H49 122.0 . . ?
C1 C49 C75 116.0(10) . . ?
C75 C49 H49 122.0 . . ?
C72 C25 H25 119.2 . . ?
C37 C25 C72 121.6(7) . . ?
C37 C25 H25 119.2 . . ?
C22 C51 C36 118.9(7) . . ?
C22 C51 H51 120.6 . . ?
C36 C51 H51 120.6 . . ?
C4 C13 H13 118.8 . . ?
C21 C13 C4 122.4(9) . . ?
C21 C13 H13 118.8 . . ?
C11 C53 H53 119.4 . . ?
C83 C53 C11 121.2(10) . . ?
C83 C53 H53 119.4 . . ?
C68 C27 H27 119.9 . . ?
C19 C27 C68 120.2(7) . . ?
C19 C27 H27 119.9 . . ?
C34 C55 H55 121.0 . . ?
C64 C55 C34 118.0(8) . . ?
C64 C55 H55 121.0 . . ?
C32 C7 H7 119.7 . . ?
C82 C7 C32 120.6(8) . . ?
C82 C7 H7 119.7 . . ?
C58 C57 C76 120.7(7) . . ?
C58 C57 H57 119.6 . . ?
C76 C57 H57 119.6 . . ?
C38 C29 H29 120.0 . . ?
C38 C29 C9 120.1(7) . . ?
C9 C29 H29 120.0 . . ?
C15 C59 H59 120.4 . . ?
C75 C59 H59 120.4 . . ?
C75 C59 C15 119.2(9) . . ?
C23 C15 H15 119.8 . . ?
C59 C15 C23 120.3(11) . . ?
C59 C15 H15 119.8 . . ?
C71 C61 H61 120.0 . . ?
C71 C61 C77 119.9(6) . . ?
C77 C61 H61 120.0 . . ?
C69 C31 H31 118.6 . . ?
C69 C31 C19 122.8(7) . . ?
C19 C31 H31 118.6 . . ?
C60 C63 H63 120.3 . . ?
C82 C63 C60 119.4(9) . . ?
C82 C63 H63 120.3 . . ?
C42 C2 H2 120.0 . . ?
C42 C2 C17 120.0(6) . . ?
C17 C2 H2 120.0 . . ?
C78 C65 H65 120.5 . . ?
C17 C65 C78 119.0(7) . . ?
C17 C65 H65 120.5 . . ?
C66 C33 H33 119.4 . . ?
C39 C33 C66 121.2(8) . . ?
C39 C33 H33 119.4 . . ?
C4 C67 H67 120.0 . . ?
C4 C67 C43 119.9(8) . . ?
C43 C67 H67 120.0 . . ?
C2 C17 H17 119.9 . . ?
C65 C17 C2 120.3(6) . . ?
C65 C17 H17 119.9 . . ?
C56 C69 H69 120.4 . . ?
C31 C69 C56 119.1(7) . . ?
C31 C69 H69 120.4 . . ?
C45 C35 H35 120.1 . . ?
C45 C35 C81 119.8(8) . . ?
C81 C35 H35 120.1 . . ?
C54 C71 H71 119.4 . . ?
C61 C71 C54 121.1(6) . . ?
C61 C71 H71 119.4 . . ?
C29 C9 H9 120.2 . . ?
C39 C9 C29 119.7(7) . . ?
C39 C9 H9 120.2 . . ?
C40 C73 H73 119.9 . . ?
C77 C73 C40 120.3(6) . . ?
C77 C73 H73 119.9 . . ?
C3 C37 H37 119.2 . . ?
C25 C37 C3 121.7(9) . . ?
C25 C37 H37 119.2 . . ?
C49 C75 H75 118.7 . . ?
C59 C75 C49 122.6(10) . . ?
C59 C75 H75 118.7 . . ?
C27 C19 C31 119.2(6) . . ?
C27 C19 H19 120.4 . . ?
C31 C19 H19 120.4 . . ?
C61 C77 H77 120.0 . . ?
C73 C77 C61 120.0(6) . . ?
C73 C77 H77 120.0 . . ?
C33 C39 C9 120.2(7) . . ?
C33 C39 H39 119.9 . . ?
C9 C39 H39 119.9 . . ?
C88 C79 H79 121.2 . . ?
C81 C79 C88 117.7(8) . . ?
C81 C79 H79 121.2 . . ?
C83 C5 H5 118.6 . . ?
C83 C5 C87 122.7(11) . . ?
C87 C5 H5 118.6 . . ?
C35 C81 H81 119.6 . . ?
C79 C81 C35 120.9(7) . . ?
C79 C81 H81 119.6 . . ?
C21 C41 H41 121.8 . . ?
C43 C41 H41 121.8 . . ?
C43 C41 C21 116.5(8) . . ?
C53 C83 H83 119.0 . . ?
C5 C83 C53 122.0(12) . . ?
C5 C83 H83 119.0 . . ?
C13 C21 C41 119.0(8) . . ?
C13 C21 H21 120.5 . . ?
C41 C21 H21 120.5 . . ?
C11 C85 H85 120.8 . . ?
C11 C85 C87 118.5(10) . . ?
C87 C85 H85 120.8 . . ?
C67 C43 H43 118.2 . . ?
C41 C43 C67 123.6(11) . . ?
C41 C43 H43 118.2 . . ?
C5 C87 C85 117.1(12) . . ?
C5 C87 H87 121.5 . . ?
C85 C87 H87 121.5 . . ?
O1 Cl5 O2 86.6(15) . . ?
O3 Cl5 O1 119.6(12) . . ?
O3 Cl5 O2 109.2(13) . . ?
O4 Cl5 O1 125.1(14) . . ?
O4 Cl5 O2 81.8(14) . . ?
O4 Cl5 O3 114.8(9) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag1 P2 C14 C28 -75.7(4) . . . . ?
Ag1 P2 C14 C30 95.6(4) . . . . ?
Ag1 P2 C16 C88 16.7(6) . . . . ?
Ag1 P2 C16 C45 -161.7(5) . . . . ?
Ag1 P2 C20 C24 -3.1(5) . . . . ?
Ag1 P2 C20 C76 176.1(5) . . . . ?
Ag1 P3 C4 C13 175.6(7) . . . . ?
Ag1 P3 C4 C67 -8.0(8) . . . . ?
Ag1 P3 C38 C66 -16.1(5) . . . . ?
Ag1 P3 C38 C29 165.5(4) . . . . ?
Ag1 P3 C46 C44 -75.4(4) . . . . ?
Ag1 P3 C46 C70 96.0(3) . . . . ?
Ag1 P4 C12 C42 158.6(4) . . . . ?
Ag1 P4 C12 C78 -23.1(5) . . . . ?
Ag1 P4 C36 C64 -176.3(6) . . . . ?
Ag1 P4 C36 C51 0.5(6) . . . . ?
Ag1 P4 C52 C74 -75.6(4) . . . . ?
Ag1 P4 C52 C80 97.5(4) . . . . ?
Ag1 P1 C1 C23 -11.2(5) . . . . ?
Ag1 P1 C1 C49 169.3(4) . . . . ?
Ag1 P1 C26 C6 96.5(4) . . . . ?
Ag1 P1 C26 C50 -74.4(4) . . . . ?
Ag1 P1 C11 C53 6.9(7) . . . . ?
Ag1 P1 C11 C85 -172.2(8) . . . . ?
P2 C14 C28 C10 175.3(4) . . . . ?
P2 C14 C28 C50 -3.3(6) . . . . ?
P2 C14 C30 C86 -172.7(5) . . . . ?
P2 C16 C88 C79 179.0(7) . . . . ?
P2 C16 C45 C35 -179.4(8) . . . . ?
P2 C20 C24 C48 178.6(5) . . . . ?
P2 C20 C76 C57 -178.4(5) . . . . ?
P3 C4 C13 C21 -178.4(10) . . . . ?
P3 C4 C67 C43 -178.1(12) . . . . ?
P3 C38 C66 C33 -178.5(6) . . . . ?
P3 C38 C29 C9 176.0(5) . . . . ?
P3 C46 C70 C62 -171.1(4) . . . . ?
P4 C12 C42 C2 179.4(5) . . . . ?
P4 C12 C78 C65 -178.7(6) . . . . ?
P4 C36 C64 C55 -179.5(8) . . . . ?
P4 C36 C51 C22 -177.4(7) . . . . ?
P4 C52 C74 C44 -2.2(7) . . . . ?
P4 C52 C74 C54 177.4(4) . . . . ?
P4 C52 C80 C47 -176.2(5) . . . . ?
P1 C1 C23 C15 -179.4(6) . . . . ?
P1 C1 C49 C75 177.9(5) . . . . ?
P1 C26 C50 C8 173.5(3) . . . . ?
P1 C26 C50 C28 -8.2(6) . . . . ?
P1 C11 C53 C83 -177.5(12) . . . . ?
P1 C11 C85 C87 178.9(10) . . . . ?
C1 P1 C26 C6 -137.4(4) . . . . ?
C1 P1 C26 C50 51.8(5) . . . . ?
C1 P1 C11 C53 -120.2(7) . . . . ?
C1 P1 C11 C85 60.7(9) . . . . ?
C1 C23 C15 C59 0.9(12) . . . . ?
C1 C49 C75 C59 2.3(12) . . . . ?
C4 P3 C38 C66 111.1(5) . . . . ?
C4 P3 C38 C29 -67.2(5) . . . . ?
C4 P3 C46 C44 160.4(4) . . . . ?
C4 P3 C46 C70 -28.2(4) . . . . ?
C4 C13 C21 C41 1(2) . . . . ?
C4 C67 C43 C41 -9(3) . . . . ?
C6 C18 C60 C8 2.4(9) . . . . ?
C6 C18 C60 C63 -177.7(6) . . . . ?
C6 C26 C50 C8 2.8(7) . . . . ?
C6 C26 C50 C28 -178.8(4) . . . . ?
C8 C32 C7 C82 1.0(11) . . . . ?
C8 C60 C63 C82 1.6(10) . . . . ?
C10 C28 C50 C8 77.5(6) . . . . ?
C10 C28 C50 C26 -100.8(5) . . . . ?
C10 C84 C86 C30 1.2(9) . . . . ?
C10 C3 C37 C25 0.7(12) . . . . ?
C12 P4 C36 C64 56.6(7) . . . . ?
C12 P4 C36 C51 -126.6(5) . . . . ?
C12 P4 C52 C74 48.3(5) . . . . ?
C12 P4 C52 C80 -138.5(4) . . . . ?
C12 C42 C2 C17 -1.2(10) . . . . ?
C12 C78 C65 C17 -0.3(12) . . . . ?
C14 P2 C16 C88 137.8(5) . . . . ?
C14 P2 C16 C45 -40.5(6) . . . . ?
C14 P2 C20 C24 -123.2(4) . . . . ?
C14 P2 C20 C76 56.0(5) . . . . ?
C14 C28 C50 C8 -103.8(5) . . . . ?
C14 C28 C50 C26 77.9(6) . . . . ?
C14 C30 C86 C84 -1.8(9) . . . . ?
C16 P2 C14 C28 156.5(4) . . . . ?
C16 P2 C14 C30 -32.1(4) . . . . ?
C16 P2 C20 C24 127.5(4) . . . . ?
C16 P2 C20 C76 -53.3(6) . . . . ?
C16 C88 C79 C81 3.3(15) . . . . ?
C16 C45 C35 C81 -2.8(17) . . . . ?
C18 C6 C26 P1 -171.6(4) . . . . ?
C18 C6 C26 C50 -0.4(7) . . . . ?
C18 C60 C63 C82 -178.3(6) . . . . ?
C20 P2 C14 C28 47.4(4) . . . . ?
C20 P2 C14 C30 -141.2(4) . . . . ?
C20 P2 C16 C88 -110.7(5) . . . . ?
C20 P2 C16 C45 70.9(6) . . . . ?
C20 C24 C48 C58 -0.3(10) . . . . ?
C20 C76 C57 C58 -0.2(11) . . . . ?
C22 C34 C55 C64 3.5(16) . . . . ?
C24 C20 C76 C57 0.8(9) . . . . ?
C24 C48 C58 C57 0.9(11) . . . . ?
C26 P1 C1 C23 -133.9(4) . . . . ?
C26 P1 C1 C49 46.7(5) . . . . ?
C26 P1 C11 C53 127.4(7) . . . . ?
C26 P1 C11 C85 -51.7(9) . . . . ?
C26 C6 C18 C60 -2.2(9) . . . . ?
C28 C10 C84 C72 -176.1(6) . . . . ?
C28 C10 C84 C86 1.9(8) . . . . ?
C28 C10 C3 C37 175.0(6) . . . . ?
C28 C14 C30 C86 -0.8(8) . . . . ?
C30 C14 C28 C10 4.0(7) . . . . ?
C30 C14 C28 C50 -174.6(4) . . . . ?
C32 C8 C50 C26 176.9(5) . . . . ?
C32 C8 C50 C28 -1.5(7) . . . . ?
C32 C8 C60 C18 -179.5(5) . . . . ?
C32 C8 C60 C63 0.5(8) . . . . ?
C34 C22 C51 C36 -1.2(15) . . . . ?
C36 P4 C12 C42 -70.3(5) . . . . ?
C36 P4 C12 C78 108.1(5) . . . . ?
C36 P4 C52 C74 156.2(4) . . . . ?
C36 P4 C52 C80 -30.6(4) . . . . ?
C36 C64 C55 C34 -5.2(15) . . . . ?
C38 P3 C4 C13 47.7(8) . . . . ?
C38 P3 C4 C67 -135.9(7) . . . . ?
C38 P3 C46 C44 52.2(4) . . . . ?
C38 P3 C46 C70 -136.4(4) . . . . ?
C38 C66 C33 C39 1.7(13) . . . . ?
C38 C29 C9 C39 3.1(11) . . . . ?
C40 C54 C74 C44 176.5(5) . . . . ?
C40 C54 C74 C52 -3.1(7) . . . . ?
C40 C54 C71 C61 0.6(11) . . . . ?
C40 C73 C77 C61 0.7(13) . . . . ?
C42 C12 C78 C65 -0.2(9) . . . . ?
C42 C2 C17 C65 0.6(12) . . . . ?
C44 C46 C70 C62 0.8(7) . . . . ?
C44 C56 C68 C62 2.3(7) . . . . ?
C44 C56 C68 C27 -176.0(5) . . . . ?
C44 C56 C69 C31 178.7(6) . . . . ?
C46 P3 C4 C13 -64.3(8) . . . . ?
C46 P3 C4 C67 112.1(7) . . . . ?
C46 P3 C38 C66 -139.6(5) . . . . ?
C46 P3 C38 C29 42.0(5) . . . . ?
C46 C44 C56 C68 -5.2(7) . . . . ?
C46 C44 C56 C69 176.3(5) . . . . ?
C46 C44 C74 C52 75.0(6) . . . . ?
C46 C44 C74 C54 -104.6(5) . . . . ?
C48 C58 C57 C76 -0.7(12) . . . . ?
C50 C8 C32 C7 178.6(6) . . . . ?
C50 C8 C60 C18 0.1(8) . . . . ?
C50 C8 C60 C63 -179.9(5) . . . . ?
C52 P4 C12 C42 37.1(5) . . . . ?
C52 P4 C12 C78 -144.5(4) . . . . ?
C52 P4 C36 C64 -55.2(7) . . . . ?
C52 P4 C36 C51 121.7(5) . . . . ?
C52 C80 C47 C40 -0.6(9) . . . . ?
C54 C40 C47 C80 2.0(9) . . . . ?
C54 C40 C73 C77 0.2(11) . . . . ?
C56 C44 C46 P3 174.8(3) . . . . ?
C56 C44 C46 C70 3.6(6) . . . . ?
C56 C44 C74 C52 -106.4(5) . . . . ?
C56 C44 C74 C54 74.0(6) . . . . ?
C56 C68 C27 C19 -3.7(10) . . . . ?
C60 C8 C32 C7 -1.8(9) . . . . ?
C60 C8 C50 C26 -2.7(7) . . . . ?
C60 C8 C50 C28 178.9(5) . . . . ?
C62 C68 C27 C19 178.1(6) . . . . ?
C64 C36 C51 C22 -0.4(12) . . . . ?
C66 C38 C29 C9 -2.3(9) . . . . ?
C66 C33 C39 C9 -0.9(14) . . . . ?
C68 C56 C69 C31 0.2(9) . . . . ?
C68 C62 C70 C46 -3.7(8) . . . . ?
C68 C27 C19 C31 2.0(11) . . . . ?
C70 C62 C68 C56 2.1(8) . . . . ?
C70 C62 C68 C27 -179.6(6) . . . . ?
C72 C84 C86 C30 179.1(7) . . . . ?
C72 C25 C37 C3 1.9(14) . . . . ?
C74 C44 C46 P3 -6.7(6) . . . . ?
C74 C44 C46 C70 -177.8(4) . . . . ?
C74 C44 C56 C68 176.3(4) . . . . ?
C74 C44 C56 C69 -2.2(7) . . . . ?
C74 C52 C80 C47 -2.7(8) . . . . ?
C74 C54 C71 C61 178.6(7) . . . . ?
C76 C20 C24 C48 -0.6(9) . . . . ?
C78 C12 C42 C2 1.0(8) . . . . ?
C78 C65 C17 C2 0.1(13) . . . . ?
C80 C52 C74 C44 -175.1(5) . . . . ?
C80 C52 C74 C54 4.5(7) . . . . ?
C84 C10 C28 C14 -4.5(7) . . . . ?
C84 C10 C28 C50 174.2(5) . . . . ?
C84 C10 C3 C37 -2.4(9) . . . . ?
C84 C72 C25 C37 -2.9(14) . . . . ?
C88 C16 C45 C35 2.3(12) . . . . ?
C88 C79 C81 C35 -3.7(19) . . . . ?
C11 P1 C1 C23 116.7(5) . . . . ?
C11 P1 C1 C49 -62.8(5) . . . . ?
C11 P1 C26 C6 -28.7(4) . . . . ?
C11 P1 C26 C50 160.4(4) . . . . ?
C11 C53 C83 C5 -6(3) . . . . ?
C11 C85 C87 C5 3(2) . . . . ?
C45 C16 C88 C79 -2.6(12) . . . . ?
C45 C35 C81 C79 4(2) . . . . ?
C23 C1 C49 C75 -1.5(9) . . . . ?
C47 C40 C54 C74 -0.1(8) . . . . ?
C47 C40 C54 C71 177.9(6) . . . . ?
C47 C40 C73 C77 -178.6(7) . . . . ?
C3 C10 C28 C14 178.0(5) . . . . ?
C3 C10 C28 C50 -3.3(7) . . . . ?
C3 C10 C84 C72 1.5(9) . . . . ?
C3 C10 C84 C86 179.4(6) . . . . ?
C49 C1 C23 C15 0.0(10) . . . . ?
C25 C72 C84 C10 1.1(11) . . . . ?
C25 C72 C84 C86 -176.8(7) . . . . ?
C51 C22 C34 C55 -0.4(17) . . . . ?
C51 C36 C64 C55 3.7(13) . . . . ?
C13 C4 C67 C43 -1.5(18) . . . . ?
C53 C11 C85 C87 -0.2(17) . . . . ?
C7 C82 C63 C60 -2.5(11) . . . . ?
C29 C38 C66 C33 -0.1(10) . . . . ?
C29 C9 C39 C33 -1.5(13) . . . . ?
C15 C59 C75 C49 -1.5(14) . . . . ?
C63 C82 C7 C32 1.3(12) . . . . ?
C67 C4 C13 C21 5.1(16) . . . . ?
C69 C56 C68 C62 -179.2(5) . . . . ?
C69 C56 C68 C27 2.5(8) . . . . ?
C69 C31 C19 C27 0.8(12) . . . . ?
C71 C54 C74 C44 -1.4(8) . . . . ?
C71 C54 C74 C52 178.9(6) . . . . ?
C71 C61 C77 C73 -1.0(14) . . . . ?
C73 C40 C54 C74 -178.9(6) . . . . ?
C73 C40 C54 C71 -0.9(9) . . . . ?
C73 C40 C47 C80 -179.2(6) . . . . ?
C75 C59 C15 C23 -0.2(14) . . . . ?
C19 C31 C69 C56 -1.9(11) . . . . ?
C77 C61 C71 C54 0.3(13) . . . . ?
C83 C5 C87 C85 -7(3) . . . . ?
C21 C41 C43 C67 15(3) . . . . ?
C85 C11 C53 C83 1.6(17) . . . . ?
C43 C41 C21 C13 -10(2) . . . . ?
C87 C5 C83 C53 9(3) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.123 -0.031 0.559 268.2 67.7 ?
2 -0.123 0.469 0.941 268.2 67.9 ?
3 0.377 0.031 0.059 268.2 68.3 ?
4 0.623 0.531 0.441 268.2 67.6 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.519
_oxdiff_exptl_absorpt_empirical_full_min 0.673

loop_
_publcif_info_exptl_table_extra_item
sin_theta_over_lambda_max

loop_
_publcif_info_exptl_table_header_item
?



_publcif_funding_html            
;
;
