#------------------------------------------------------------------------------
#$Date: 2024-12-06 18:33:55 +0200 (Fri, 06 Dec 2024) $
#$Revision: 296379 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/27/1572717.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1572717
loop_
_publ_author_name
'Larsen, Emil Mickey Hilligsøe'
'Brock-Nannestad, Theis'
'Skibsted, Jørgen'
'Reinholdt, Anders'
'Bendix, Jesper'
_publ_section_title
;
A homoleptic AgIII complex stabilized by succinimidate
ligands.
;
_journal_issue 43
_journal_name_full 'Chemical science'
_journal_page_first 18067
_journal_page_last 18075
_journal_paper_doi 10.1039/d4sc04843a
_journal_volume 15
_journal_year 2024
_chemical_formula_moiety '0.25(C32 H48 Ag4 Cs4 N8 O24), 2(H2 O)'
_chemical_formula_sum 'C8 H16 Ag Cs N2 O8'
_chemical_formula_weight 509.01
_space_group_crystal_system triclinic
_space_group_IT_number 2
_space_group_name_Hall '-P 1'
_space_group_name_H-M_alt 'P -1'
_atom_sites_solution_hydrogens mixed
_audit_creation_date 2018-07-06
_audit_creation_method
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_audit_update_record
;
2024-07-21 deposited with the CCDC. 2024-09-17 downloaded from the CCDC.
;
_cell_angle_alpha 68.125(2)
_cell_angle_beta 73.051(2)
_cell_angle_gamma 76.873(2)
_cell_formula_units_Z 4
_cell_length_a 9.7035(6)
_cell_length_b 13.0999(8)
_cell_length_c 13.5608(9)
_cell_measurement_reflns_used 9570
_cell_measurement_temperature 120(2)
_cell_measurement_theta_max 29.538
_cell_measurement_theta_min 2.446
_cell_volume 1516.49(17)
_computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material 'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement 'ShelXL (Sheldrick, 2015)'
_computing_structure_solution 'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_temperature 120(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type 'Bruker APEX-II CCD'
_diffrn_measurement_method '\f and \w scans'
_diffrn_radiation_type MoK\a
_diffrn_radiation_wavelength 0.71073
_diffrn_reflns_av_R_equivalents 0.0416
_diffrn_reflns_av_unetI/netI 0.0280
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max 13
_diffrn_reflns_limit_h_min -13
_diffrn_reflns_limit_k_max 17
_diffrn_reflns_limit_k_min -18
_diffrn_reflns_limit_l_max 18
_diffrn_reflns_limit_l_min -18
_diffrn_reflns_number 51926
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full 26.000
_diffrn_reflns_theta_max 29.575
_diffrn_reflns_theta_min 2.446
_diffrn_standards_number 0
_exptl_absorpt_coefficient_mu 3.730
_exptl_absorpt_correction_T_max 0.7459
_exptl_absorpt_correction_T_min 0.6596
_exptl_absorpt_correction_type multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0714 before and 0.0555 after correction.
The Ratio of minimum to maximum transmission is 0.8843.
The \l/2 correction factor is Not present.
;
_exptl_crystal_colour 'clear colourless'
_exptl_crystal_colour_lustre clear
_exptl_crystal_colour_primary colourless
_exptl_crystal_density_diffrn 2.229
_exptl_crystal_description plate
_exptl_crystal_F_000 976
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: water'
_exptl_crystal_size_max 0.226
_exptl_crystal_size_mid 0.098
_exptl_crystal_size_min 0.038
_refine_diff_density_max 0.706
_refine_diff_density_min -0.880
_refine_diff_density_rms 0.118
_refine_ls_extinction_method none
_refine_ls_goodness_of_fit_ref 1.026
_refine_ls_hydrogen_treatment mixed
_refine_ls_matrix_type full
_refine_ls_number_parameters 412
_refine_ls_number_reflns 8488
_refine_ls_number_restraints 1
_refine_ls_restrained_S_all 1.026
_refine_ls_R_factor_all 0.0346
_refine_ls_R_factor_gt 0.0218
_refine_ls_shift/su_max 0.003
_refine_ls_shift/su_mean 0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0186P)^2^+0.7325P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme calc
_refine_ls_wR_factor_gt 0.0419
_refine_ls_wR_factor_ref 0.0451
_reflns_Friedel_coverage 0.000
_reflns_number_gt 7001
_reflns_number_total 8488
_reflns_threshold_expression 'I > 2\s(I)'
_cod_data_source_file d4sc04843a2.cif
_cod_data_source_block mo_d8v3473_0m-1
_cod_depositor_comments
'Adding full bibliography for 1572714--1572719.cif.'
_cod_database_code 1572717
_shelxl_version_number 2013-3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max 0.871
_shelx_estimated_absorpt_t_min 0.486
_olex2_refinement_description
;
1. Fixed Uiso
At 1.2 times of:
All C(H,H) groups, All O(H,H,H,H,H,H,H,H,H,H,H,H,H,H,H,H) groups
2. Restrained distances
H12A_$1-H15C
2.2 with sigma of 0.01
3.a Secondary CH2 refined with riding coordinates:
C11(H11A,H11B), C7(H7A,H7B), C10(H10A,H10B), C2(H2A,H2B), C3(H3A,H3B), C6(H6A,
H6B), C14(H14A,H14B), C15(H15A,H15B)
;
_shelx_res_file
;
TITL
CELL 0.71073 9.7035 13.0999 13.5608 68.125 73.0506 76.8726
ZERR 4 0.0006 0.0008 0.0009 0.0023 0.0024 0.0024
LATT 1
SFAC C H Ag Cs N O
UNIT 32 64 4 4 8 32
EQIV $1 -1+X,+Y,+Z
DFIX 2.2 0.01 H12a_$1 H15c
L.S. 50
PLAN 20
SIZE 0.038 0.098 0.226
TEMP -153(2)
CONN 12 2.4 Cs2
CONN 12 2.4 Cs1
MORE -1
BOND $H
CONF
fmap 2
acta 52
OMIT 10 0 14
OMIT 13 6 2
OMIT 7 -1 16
OMIT 3 -2 4
REM
REM
REM
WGHT 0.018600 0.732500
FVAR 0.08756
CS2 4 0.924244 0.667205 0.077523 11.00000 0.01495 0.01530 =
0.02155 -0.00582 -0.00516 -0.00149
CS1 4 0.059173 0.988991 0.162374 11.00000 0.01448 0.01643 =
0.01666 -0.00218 -0.00437 -0.00349
AG3 3 0.500000 0.500000 0.000000 10.50000 0.01492 0.01608 =
0.01327 -0.00330 -0.00487 -0.00219
AG1 3 0.500000 1.000000 0.000000 10.50000 0.01539 0.01566 =
0.01178 -0.00320 -0.00621 -0.00059
AG2 3 0.499692 0.754940 -0.001956 11.00000 0.01464 0.01666 =
0.01340 -0.00390 -0.00403 -0.00249
O6 6 0.418173 0.857829 -0.250749 11.00000 0.01746 0.02527 =
0.02205 -0.00724 -0.00779 -0.00183
O4 6 0.598607 0.634417 0.230318 11.00000 0.01922 0.02445 =
0.02036 -0.00779 -0.00813 0.00135
C8 1 0.465087 0.648347 0.244159 11.00000 0.01937 0.01107 =
0.01524 -0.00495 -0.00575 -0.00054
N3 5 0.606615 0.810089 -0.165092 11.00000 0.01643 0.01564 =
0.01430 -0.00486 -0.00280 -0.00347
N2 5 0.394632 0.696191 0.161384 11.00000 0.01624 0.01550 =
0.01354 -0.00479 -0.00412 -0.00095
C12 1 0.549290 0.846953 -0.254172 11.00000 0.02048 0.01152 =
0.01621 -0.00504 -0.00573 -0.00118
O3 6 0.156856 0.747899 0.146543 11.00000 0.01987 0.02564 =
0.02266 -0.00712 -0.00836 0.00003
O5 6 0.830829 0.793779 -0.132417 11.00000 0.02182 0.02930 =
0.02294 -0.00567 -0.00951 -0.00706
C11 1 0.666382 0.875101 -0.358835 11.00000 0.02308 0.01890 =
0.01469 -0.00588 -0.00372 -0.00293
AFIX 23
H11A 2 0.650133 0.954563 -0.402570 11.00000 -1.20000
H11B 2 0.669058 0.829437 -0.403543 11.00000 -1.20000
AFIX 0
C5 1 0.247316 0.702278 0.202766 11.00000 0.01807 0.01277 =
0.02124 -0.00783 -0.00529 -0.00189
C7 1 0.358893 0.615988 0.354452 11.00000 0.02391 0.01725 =
0.01528 -0.00400 -0.00419 -0.00440
AFIX 23
H7A 2 0.366043 0.657550 0.400202 11.00000 -1.20000
H7B 2 0.376734 0.535419 0.393846 11.00000 -1.20000
AFIX 0
C10 1 0.806117 0.848048 -0.319161 11.00000 0.01839 0.02210 =
0.01782 -0.00676 -0.00048 -0.00372
AFIX 23
H10A 2 0.871480 0.786616 -0.341556 11.00000 -1.20000
H10B 2 0.858090 0.913785 -0.348043 11.00000 -1.20000
AFIX 0
O1 6 0.338322 0.912964 0.264002 11.00000 0.01508 0.02784 =
0.02076 -0.00755 -0.00547 -0.00097
C2 1 0.556214 0.849769 0.337340 11.00000 0.01793 0.01953 =
0.01318 -0.00418 -0.00486 -0.00185
AFIX 23
H2A 2 0.541776 0.771216 0.377969 11.00000 -1.20000
H2B 2 0.526091 0.891788 0.389269 11.00000 -1.20000
AFIX 0
C9 1 0.753967 0.814151 -0.196246 11.00000 0.01807 0.01220 =
0.02200 -0.00610 -0.00510 -0.00261
C1 1 0.472090 0.899706 0.248204 11.00000 0.01833 0.01088 =
0.01430 -0.00401 -0.00586 -0.00177
N1 5 0.563215 0.928119 0.147332 11.00000 0.01594 0.01267 =
0.01232 -0.00289 -0.00597 -0.00105
C3 1 0.713466 0.859449 0.275325 11.00000 0.01637 0.02421 =
0.01637 -0.00536 -0.00661 -0.00324
AFIX 23
H3A 2 0.754343 0.910961 0.293750 11.00000 -1.20000
H3B 2 0.774218 0.786107 0.291804 11.00000 -1.20000
AFIX 0
O2 6 0.810919 0.917882 0.079650 11.00000 0.01706 0.02475 =
0.01800 -0.00486 -0.00129 -0.00258
C6 1 0.211081 0.647686 0.325108 11.00000 0.02037 0.02177 =
0.01917 -0.00677 -0.00157 -0.00346
AFIX 23
H6A 2 0.162999 0.581174 0.346135 11.00000 -1.20000
H6B 2 0.146723 0.699880 0.361583 11.00000 -1.20000
AFIX 0
N4 5 0.592547 0.432990 0.135721 11.00000 0.01654 0.01353 =
0.01528 -0.00474 -0.00613 -0.00087
C16 1 0.737623 0.426555 0.129029 11.00000 0.01865 0.01381 =
0.02256 -0.00929 -0.00836 -0.00036
C14 1 0.627083 0.347908 0.316824 11.00000 0.02775 0.01742 =
0.01939 -0.00617 -0.01279 0.00080
AFIX 23
H14A 2 0.619922 0.269083 0.361514 11.00000 -1.20000
H14B 2 0.607854 0.392224 0.365859 11.00000 -1.20000
AFIX 0
C15 1 0.774925 0.361344 0.238423 11.00000 0.02142 0.02476 =
0.02296 -0.00909 -0.01222 0.00127
AFIX 23
H15A 2 0.831101 0.402683 0.257624 11.00000 -1.20000
H15B 2 0.831714 0.288303 0.238346 11.00000 -1.20000
AFIX 0
C13 1 0.523026 0.390860 0.241878 11.00000 0.02038 0.01171 =
0.01789 -0.00566 -0.00634 -0.00084
O8 6 0.825896 0.468968 0.045254 11.00000 0.01852 0.02397 =
0.02372 -0.00767 -0.00337 -0.00588
O7 6 0.389868 0.390295 0.273879 11.00000 0.02038 0.02463 =
0.01700 -0.00496 -0.00303 -0.00289
C4 1 0.704570 0.904608 0.156815 11.00000 0.01718 0.01101 =
0.01613 -0.00502 -0.00603 -0.00067
O9 6 -0.050278 0.847661 0.421662 11.00000 0.02036 0.02891 =
0.02507 -0.00903 -0.00369 -0.00638
O13 6 0.210175 0.331685 0.480669 11.00000 0.02619 0.02401 =
0.01816 -0.00569 -0.00328 -0.00737
O11 6 -0.172004 1.183099 0.077475 11.00000 0.01746 0.03631 =
0.02256 -0.00647 -0.00774 -0.00252
O14 6 0.200694 0.840350 0.486812 11.00000 0.02807 0.04318 =
0.02436 -0.01178 -0.00476 -0.00942
O10 6 -0.197500 1.057585 0.369658 11.00000 0.03597 0.02827 =
0.03218 -0.00957 -0.01875 0.00162
O12 6 1.160903 0.463194 0.175366 11.00000 0.02852 0.06167 =
0.02936 -0.01683 -0.01225 0.01090
O15 6 -0.024536 0.410697 0.377887 11.00000 0.02920 0.07548 =
0.04390 -0.03220 -0.02038 0.01230
O16 6 0.750923 0.572496 0.389392 11.00000 0.08344 0.04249 =
0.06416 -0.03509 -0.05883 0.02883
H14C 2 0.240772 0.863751 0.419366 11.00000 -1.20000
H14D 2 0.130568 0.826552 0.484744 11.00000 -1.20000
H12A 2 1.241223 0.447149 0.188624 11.00000 -1.20000
H12B 2 1.180727 0.459516 0.113930 11.00000 -1.20000
H11C 2 -0.185598 1.195778 0.022328 11.00000 -1.20000
H11D 2 -0.257601 1.178715 0.119835 11.00000 -1.20000
H16A 2 0.814305 0.520465 0.384465 11.00000 -1.20000
H16B 2 0.702220 0.586267 0.353976 11.00000 -1.20000
H13A 2 0.272031 0.350716 0.422023 11.00000 -1.20000
H13B 2 0.226776 0.362076 0.521148 11.00000 -1.20000
H9A 2 -0.106414 0.909886 0.416046 11.00000 -1.20000
H9B 2 -0.109880 0.795368 0.450220 11.00000 -1.20000
H10C 2 -0.217869 1.088698 0.418752 11.00000 -1.20000
H10D 2 -0.271762 1.082529 0.357003 11.00000 -1.20000
H15C 2 0.033568 0.422467 0.309527 11.00000 -1.20000
H15D 2 0.033708 0.390908 0.420498 11.00000 -1.20000
HKLF 4
REM
REM R1 = 0.0218 for 7001 Fo > 4sig(Fo) and 0.0346 for all 8488 data
REM 412 parameters refined using 1 restraints
END
WGHT 0.0186 0.7325
REM Highest difference peak 0.706, deepest hole -0.880, 1-sigma level 0.118
Q1 1 -0.0837 0.3593 0.4338 11.00000 0.05 0.71
Q2 1 0.5801 0.7756 -0.1128 11.00000 0.05 0.55
Q3 1 0.7924 0.5932 0.3352 11.00000 0.05 0.51
Q4 1 0.6800 0.8463 -0.0780 11.00000 0.05 0.50
Q5 1 0.0147 1.0420 0.2214 11.00000 0.05 0.49
Q6 1 0.9038 0.6592 0.0320 11.00000 0.05 0.49
Q7 1 0.7044 0.5775 0.3979 11.00000 0.05 0.49
Q8 1 0.3184 0.6998 0.1953 11.00000 0.05 0.49
Q9 1 0.4375 0.7128 0.1122 11.00000 0.05 0.49
Q10 1 0.0581 0.7415 0.1636 11.00000 0.05 0.48
Q11 1 0.3206 0.8782 0.3178 11.00000 0.05 0.47
Q12 1 0.2040 0.6098 0.2986 11.00000 0.05 0.47
Q13 1 0.3915 0.6372 0.3021 11.00000 0.05 0.45
Q14 1 0.5337 0.9448 0.1016 11.00000 0.05 0.45
Q15 1 0.5005 0.6690 0.0925 11.00000 0.05 0.45
Q16 1 0.5857 0.8233 -0.0819 11.00000 0.05 0.44
Q17 1 -0.2546 1.0545 0.4186 11.00000 0.05 0.44
Q18 1 0.7552 0.3855 0.1893 11.00000 0.05 0.44
Q19 1 0.1002 0.9516 0.1188 11.00000 0.05 0.43
Q20 1 0.3246 0.6679 0.0980 11.00000 0.05 0.43
;
_shelx_res_checksum 20316
_shelx_hkl_file
;
-2 0 0 309.17 6.85
-2 0 0 313.30 6.71
-2 0 0 294.13 6.70
-2 0 0 301.31 6.56
2 0 0 271.07 6.54
2 0 0 311.17 6.69
2 0 0 292.02 6.69
2 0 0 304.94 6.85
-3 0 0 220.55 5.11
-3 0 0 229.42 5.33
-3 0 0 231.07 5.33
3 0 0 237.81 5.31
3 0 0 234.23 5.54
3 0 0 220.00 5.30
3 0 0 230.89 5.12
-4 0 0 87.77 2.51
-4 0 0 90.61 2.41
-4 0 0 84.61 2.38
-4 0 0 84.45 2.11
-4 0 0 89.80 2.65
4 0 0 87.21 2.34
4 0 0 81.64 2.34
4 0 0 87.39 2.61
4 0 0 86.31 2.12
-5 0 0 70.55 2.14
-5 0 0 69.34 2.14
-5 0 0 68.45 1.81
-5 0 0 71.45 2.28
5 0 0 67.88 2.09
5 0 0 68.80 2.07
5 0 0 73.34 2.41
5 0 0 70.28 1.81
-6 0 0 1.45 0.49
-6 0 0 1.60 0.37
-6 0 0 1.82 0.42
-6 0 0 1.55 0.43
6 0 0 0.96 0.37
6 0 0 1.75 0.36
6 0 0 1.56 0.34
6 0 0 1.77 0.25
-7 0 0 301.61 7.60
-7 0 0 312.59 7.64
-7 0 0 305.97 7.79
-7 0 0 302.11 8.08
7 0 0 303.81 6.96
7 0 0 305.38 7.43
7 0 0 303.48 7.50
7 0 0 313.44 8.05
-8 0 0 5.06 0.80
-8 0 0 6.07 0.93
-8 0 0 5.85 0.78
-8 0 0 3.71 0.83
8 0 0 6.17 0.80
8 0 0 5.78 0.96
8 0 0 5.46 0.47
8 0 0 4.94 0.66
-9 0 0 165.86 4.91
-9 0 0 173.65 4.94
-9 0 0 150.85 5.29
-9 0 0 179.64 5.20
9 0 0 144.94 4.46
9 0 0 169.98 4.69
9 0 0 163.08 5.35
-10 0 0 6.47 1.24
-10 0 0 9.42 1.20
-10 0 0 7.13 1.25
-10 0 0 8.87 1.24
10 0 0 8.44 1.15
10 0 0 7.26 1.27
10 0 0 7.65 0.95
-11 0 0 23.59 2.50
-11 0 0 21.44 2.04
-11 0 0 21.84 2.51
-11 0 0 21.94 2.53
-11 0 0 21.63 2.26
11 0 0 24.69 1.71
11 0 0 22.96 1.73
-12 0 0 35.03 2.70
-12 0 0 26.95 3.38
-12 0 0 33.93 3.32
12 0 0 31.83 2.25
12 0 0 29.74 2.20
12 -1 0 4.66 1.30
12 -1 0 5.79 1.22
-12 1 0 4.21 1.37
-12 1 0 5.21 1.72
-12 1 0 4.69 1.78
11 -1 0 16.84 1.71
11 -1 0 18.09 1.76
-11 1 0 12.23 1.58
-11 1 0 18.19 2.49
-11 1 0 17.19 2.37
-11 1 0 14.41 1.90
-11 1 0 17.22 2.06
10 -1 0 30.59 2.47
10 -1 0 31.50 1.77
10 -1 0 34.23 1.88
-10 1 0 29.75 2.49
-10 1 0 32.85 2.11
-10 1 0 31.45 2.04
-10 1 0 30.02 2.29
-10 1 0 32.13 2.50
9 -1 0 36.35 1.36
9 -1 0 31.65 2.22
9 -1 0 34.19 1.74
9 -1 0 36.33 1.82
-9 1 0 36.25 2.14
-9 1 0 40.65 2.40
-9 1 0 36.11 1.95
-9 1 0 33.51 1.92
8 -1 0 45.73 1.53
8 -1 0 46.38 1.89
8 -1 0 48.43 2.35
8 -1 0 44.62 1.91
-8 1 0 44.71 2.02
-8 1 0 43.88 1.99
-8 1 0 45.32 2.16
-8 1 0 43.15 2.33
7 -1 0 10.06 1.10
7 -1 0 9.30 0.84
7 -1 0 9.19 0.64
7 -1 0 11.43 0.90
-7 1 0 8.66 0.89
-7 1 0 10.17 0.66
-7 1 0 8.28 1.10
-7 1 0 8.83 1.02
-7 1 0 6.40 0.82
6 -1 0 0.73 0.24
6 -1 0 0.61 0.31
6 -1 0 1.31 0.43
6 -1 0 0.75 0.34
-6 1 0 1.29 0.41
-6 1 0 1.35 0.38
-6 1 0 1.09 0.26
-6 1 0 1.24 0.44
-6 1 0 0.47 0.36
5 -1 0 7.99 0.52
5 -1 0 8.64 0.66
5 -1 0 9.65 0.67
5 -1 0 9.67 0.85
-5 1 0 9.94 0.88
-5 1 0 8.62 0.77
-5 1 0 8.69 0.53
-5 1 0 9.26 0.70
-5 1 0 8.09 0.67
4 -1 0 78.50 2.16
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1 6 -9 7.48 1.04
1 6 -9 6.22 1.13
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0 -6 9 23.57 2.03
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1 -6 9 33.79 2.28
1 -6 9 34.75 2.62
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2 -6 9 24.90 2.31
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3 -6 9 43.85 2.37
3 -6 9 44.28 2.72
3 -6 9 46.63 2.98
3 -6 9 42.01 2.52
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6 -6 9 8.74 1.30
6 -6 9 8.24 1.34
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7 -6 9 13.36 1.97
7 -6 9 10.66 1.89
7 -6 9 14.94 1.92
7 -6 9 10.37 1.57
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8 -6 9 24.61 2.35
8 -6 9 15.35 2.08
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2 5 -9 42.89 2.33
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1 5 -9 73.20 2.50
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1 5 -9 75.60 3.06
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1 -5 9 27.81 1.95
1 -5 9 27.79 1.80
1 -5 9 31.18 2.40
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2 -5 9 5.58 0.94
2 -5 9 6.36 1.06
2 -5 9 5.66 1.16
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3 -5 9 0.96 0.76
3 -5 9 -0.42 0.90
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3 -5 9 0.93 0.63
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4 -5 9 23.05 1.73
4 -5 9 22.04 1.88
4 -5 9 23.95 2.11
4 -5 9 16.48 2.12
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5 -5 9 15.52 2.09
5 -5 9 19.06 2.31
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5 -5 9 20.57 1.68
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6 -5 9 50.37 2.65
6 -5 9 49.09 2.57
6 -5 9 47.68 2.96
6 -5 9 50.54 3.20
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7 -5 9 13.32 1.59
7 -5 9 11.91 1.81
7 -5 9 10.45 1.64
7 -5 9 16.07 1.76
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8 -5 9 5.45 1.69
8 -5 9 7.48 1.69
8 -5 9 6.65 1.27
8 -5 9 4.87 1.14
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9 -5 9 0.12 1.30
9 -5 9 0.63 1.06
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7 4 -9 18.82 2.07
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-7 -4 9 19.87 2.39
-7 -4 9 17.32 2.10
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6 4 -9 12.40 1.58
6 4 -9 16.12 2.02
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5 4 -9 38.88 2.09
5 4 -9 42.90 2.41
5 4 -9 36.36 1.91
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-5 -4 9 38.82 2.58
-5 -4 9 35.68 2.42
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4 4 -9 11.26 1.34
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-4 -4 9 11.63 1.46
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3 4 -9 80.80 3.06
3 4 -9 80.27 3.09
3 4 -9 84.63 3.24
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-3 -4 9 80.54 3.76
-3 -4 9 84.62 3.20
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2 4 -9 17.91 1.45
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1 4 -9 42.64 2.17
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1 -4 9 29.33 1.73
1 -4 9 28.60 1.85
1 -4 9 29.26 2.19
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2 -4 9 9.15 1.15
2 -4 9 7.83 1.31
2 -4 9 8.94 1.14
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3 -4 9 50.30 2.45
3 -4 9 47.15 2.73
3 -4 9 48.16 2.34
3 -4 9 48.67 2.28
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4 -4 9 60.53 2.71
4 -4 9 63.78 3.17
4 -4 9 65.31 2.90
4 -4 9 67.41 2.72
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5 -4 9 64.21 2.69
5 -4 9 66.34 2.79
5 -4 9 67.15 3.04
5 -4 9 59.32 3.22
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6 -4 9 27.05 1.89
6 -4 9 36.76 2.15
6 -4 9 37.10 2.67
6 -4 9 35.09 2.40
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7 -4 9 45.78 3.07
7 -4 9 48.98 2.56
7 -4 9 53.96 2.53
7 -4 9 45.60 2.90
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-8 4 -9 21.84 2.40
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8 -4 9 21.13 2.69
8 -4 9 29.48 2.18
8 -4 9 27.28 2.02
8 -4 9 24.80 2.68
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9 -4 9 6.17 1.20
9 -4 9 7.85 1.35
9 -4 9 8.83 1.82
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-10 4 -9 33.64 3.16
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10 -4 9 35.09 2.77
10 -4 9 38.33 2.65
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8 3 -9 4.56 1.45
8 3 -9 1.82 1.20
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-8 -3 9 6.92 1.77
-8 -3 9 1.69 1.55
7 3 -9 6.07 1.05
7 3 -9 7.52 1.37
7 3 -9 7.46 1.21
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-7 -3 9 4.49 1.46
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-6 -3 9 8.67 1.37
-6 -3 9 8.58 1.36
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5 3 -9 27.71 1.68
5 3 -9 26.53 1.67
5 3 -9 25.74 1.83
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4 3 -9 5.80 1.00
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4 3 -9 3.72 0.81
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3 3 -9 1.21 0.64
3 3 -9 1.52 0.61
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2 3 -9 11.72 1.24
2 3 -9 10.16 1.19
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-2 -3 9 10.18 1.22
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1 3 -9 2.84 0.68
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1 3 -9 2.94 0.57
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-1 -3 9 1.17 0.55
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0 3 -9 22.85 1.56
0 3 -9 21.61 1.54
0 -3 9 21.89 1.88
0 -3 9 24.34 1.57
0 -3 9 21.27 1.43
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1 -3 9 51.26 2.66
1 -3 9 44.77 2.06
1 -3 9 48.83 2.25
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-2 3 -9 74.99 2.71
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2 -3 9 71.41 2.80
2 -3 9 70.56 2.69
2 -3 9 74.16 3.26
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3 -3 9 43.08 2.12
3 -3 9 39.86 1.95
3 -3 9 41.75 2.05
3 -3 9 40.75 2.43
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4 -3 9 13.55 1.25
4 -3 9 16.00 1.72
4 -3 9 11.50 1.34
4 -3 9 14.78 1.43
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5 -3 9 0.85 0.76
5 -3 9 1.84 0.62
5 -3 9 1.93 0.88
5 -3 9 0.67 0.51
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6 -3 9 8.48 1.09
6 -3 9 6.22 1.08
6 -3 9 6.62 1.21
6 -3 9 8.49 1.15
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7 -3 9 47.12 2.71
7 -3 9 47.08 2.36
7 -3 9 48.74 2.31
7 -3 9 48.41 2.98
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-8 3 -9 25.94 2.18
8 -3 9 24.95 2.42
8 -3 9 26.08 1.84
8 -3 9 27.99 1.96
8 -3 9 22.55 2.59
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9 -3 9 27.79 2.89
9 -3 9 32.32 2.06
9 -3 9 27.36 2.11
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10 -3 9 36.27 2.52
10 -3 9 36.13 2.34
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-11 3 -9 7.78 1.98
11 -3 9 6.71 1.60
11 -3 9 9.45 1.44
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-9 -2 9 13.05 2.53
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8 2 -9 24.87 2.56
8 2 -9 28.39 1.83
8 2 -9 28.35 1.72
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7 2 -9 11.03 1.52
7 2 -9 13.80 1.54
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3 2 -9 14.29 1.19
3 2 -9 14.57 1.31
3 2 -9 13.49 1.34
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-3 -2 9 12.92 1.37
-3 -2 9 13.11 1.25
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-3 -2 9 14.86 1.34
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2 2 -9 46.21 1.96
-2 -2 9 45.11 2.11
-2 -2 9 47.51 2.25
-2 -2 9 55.80 2.74
-2 -2 9 48.29 2.16
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1 2 -9 119.88 3.84
1 2 -9 124.33 3.88
1 2 -9 123.87 3.65
1 2 -9 118.50 3.85
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0 2 -9 78.54 2.85
0 2 -9 75.19 2.65
0 2 -9 77.93 2.84
0 2 -9 74.91 2.77
0 -2 9 77.13 2.83
0 -2 9 77.97 3.21
0 -2 9 74.23 2.73
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-1 2 -9 16.23 1.28
-1 2 -9 15.11 1.24
-1 2 -9 11.33 1.12
1 -2 9 14.64 1.56
1 -2 9 14.11 1.12
1 -2 9 15.18 1.27
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2 -2 9 0.58 0.50
2 -2 9 0.99 0.61
2 -2 9 0.51 0.41
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3 -2 9 2.33 0.66
3 -2 9 1.86 0.57
3 -2 9 1.12 0.67
3 -2 9 2.61 0.57
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4 -2 9 0.87 0.52
4 -2 9 1.99 0.80
4 -2 9 0.75 0.47
4 -2 9 0.69 0.54
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-5 2 -9 14.68 1.40
-5 2 -9 15.32 1.60
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5 -2 9 15.87 1.30
5 -2 9 16.17 1.42
5 -2 9 14.51 1.74
5 -2 9 14.56 1.22
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6 -2 9 44.37 2.05
6 -2 9 42.33 2.57
6 -2 9 41.27 1.99
6 -2 9 39.57 2.21
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-7 2 -9 35.75 2.11
-7 2 -9 35.60 2.09
-7 2 -9 30.17 2.32
7 -2 9 36.52 1.89
7 -2 9 35.17 1.86
7 -2 9 32.95 2.19
7 -2 9 34.36 2.45
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-8 2 -9 17.60 2.02
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-8 2 -9 9.72 1.29
8 -2 9 11.89 1.34
8 -2 9 10.13 1.38
8 -2 9 11.10 1.50
8 -2 9 11.79 1.76
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9 -2 9 -0.21 1.17
9 -2 9 1.47 0.82
9 -2 9 1.76 0.78
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10 -2 9 -0.76 0.95
10 -2 9 -0.17 0.85
10 -2 9 0.40 1.36
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-7 -5 -18 1.05 2.06
-7 -5 -18 -1.19 1.49
0 -6 -18 -0.91 1.82
0 -6 -18 1.78 1.60
0 6 18 3.37 1.77
0 6 18 2.13 1.41
-1 -6 -18 -2.26 1.71
-1 -6 -18 1.46 1.50
1 6 18 -1.04 1.55
1 6 18 1.91 1.29
-2 -6 -18 5.51 1.50
-2 -6 -18 9.51 1.88
2 6 18 6.15 1.48
2 6 18 8.02 1.26
-3 -6 -18 7.26 1.72
-3 -6 -18 4.75 1.33
3 6 18 5.66 1.59
3 6 18 5.75 1.11
-4 -6 -18 5.68 1.50
-4 -6 -18 4.21 1.76
4 6 18 5.08 0.93
-5 -6 -18 19.37 2.39
-5 -6 -18 24.46 2.79
-6 -6 -18 6.36 1.47
-6 -6 -18 8.01 2.07
-7 -6 -18 1.57 1.46
-7 -6 -18 1.70 2.01
-7 -6 -18 3.24 2.00
-1 -7 -18 16.85 2.06
-1 -7 -18 11.92 2.03
1 7 18 16.41 2.14
-2 -7 -18 9.38 1.65
-2 -7 -18 7.23 1.86
2 7 18 9.56 1.20
-3 -7 -18 8.64 1.86
-3 -7 -18 4.63 1.35
3 7 18 6.25 0.97
-4 -7 -18 5.76 1.83
-4 -7 -18 5.49 1.39
4 7 18 4.75 1.13
-5 -7 -18 -0.54 1.26
-5 -7 -18 -1.30 1.78
-6 -7 -18 0.15 1.28
-6 -7 -18 1.42 1.86
-7 -7 -18 7.52 1.69
-7 -7 -18 3.46 1.95
-7 -7 -18 0.71 1.90
-1 -8 -18 12.11 2.06
-1 -8 -18 12.96 1.90
1 8 18 10.01 1.25
-2 -8 -18 14.64 1.82
-2 -8 -18 16.32 2.25
2 8 18 13.58 1.66
-3 -8 -18 11.54 2.02
-3 -8 -18 12.02 1.64
3 8 18 3.27 3.27
-4 -8 -18 21.63 3.14
-4 -8 -18 24.19 2.45
-5 -8 -18 14.89 1.82
-5 -8 -18 14.72 2.10
-6 -8 -18 15.09 2.30
-6 -8 -18 15.05 1.84
-7 -8 -18 1.55 2.00
-7 -8 -18 3.23 1.91
-7 -8 -18 6.61 1.51
-1 -9 -18 2.75 1.80
-1 -9 -18 -0.63 1.48
1 9 18 0.54 2.26
-2 -9 -18 2.01 1.84
-2 -9 -18 5.17 1.53
2 9 18 4.80 2.18
-3 -9 -18 6.46 1.39
-3 -9 -18 5.78 1.83
3 9 18 1.54 2.09
-4 -9 -18 18.33 2.40
-4 -9 -18 18.88 2.38
4 9 18 13.84 2.46
-5 -9 -18 10.79 2.04
-5 -9 -18 12.13 1.65
-6 -9 -18 12.14 2.26
-6 -9 -18 5.71 2.11
-6 -9 -18 6.86 1.54
-7 -9 -18 2.27 1.87
-7 -9 -18 2.46 2.02
-7 -9 -18 5.72 2.08
-7 -9 -18 2.73 1.50
-2 -10 -18 10.25 2.00
-2 -10 -18 12.50 1.82
2 10 18 6.60 2.27
-3 -10 -18 14.84 1.81
-3 -10 -18 10.95 2.11
3 10 18 13.11 2.27
-4 -10 -18 2.07 1.82
-4 -10 -18 5.84 1.41
4 10 18 6.77 2.11
-5 -10 -18 0.64 1.24
-5 -10 -18 -0.98 1.83
-5 -10 -18 -1.91 1.74
5 10 18 -3.19 2.01
-6 -10 -18 2.00 1.35
-6 -10 -18 -3.27 1.70
-6 -10 -18 -1.17 1.84
-3 -11 -18 -2.10 1.86
-3 -11 -18 0.42 1.39
3 11 18 5.80 2.10
-4 -11 -18 1.38 1.30
-4 -11 -18 1.48 1.85
4 11 18 -1.46 1.98
-5 -11 -18 0.80 1.82
-5 -11 -18 1.64 1.32
-5 -11 -18 -0.72 1.76
0 0 0 0.00 0.00
;
_shelx_hkl_checksum 69770
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Cs2 Cs 0.92424(2) 0.66721(2) 0.07752(2) 0.01721(4) Uani 1 1 d . . . . .
Cs1 Cs 0.05917(2) 0.98899(2) 0.16237(2) 0.01640(4) Uani 1 1 d . . . . .
Ag3 Ag 0.5000 0.5000 0.0000 0.01482(5) Uani 1 2 d S T P . .
Ag1 Ag 0.5000 1.0000 0.0000 0.01422(5) Uani 1 2 d S T P . .
Ag2 Ag 0.49969(2) 0.75494(2) -0.00196(2) 0.01496(4) Uani 1 1 d . . . . .
O6 O 0.41817(18) 0.85783(14) -0.25075(14) 0.0212(4) Uani 1 1 d . . . . .
O4 O 0.59861(18) 0.63442(14) 0.23032(14) 0.0211(4) Uani 1 1 d . . . . .
C8 C 0.4651(2) 0.64835(18) 0.24416(18) 0.0149(4) Uani 1 1 d . . . . .
N3 N 0.6066(2) 0.81009(15) -0.16509(15) 0.0154(4) Uani 1 1 d . . . . .
N2 N 0.3946(2) 0.69619(15) 0.16138(15) 0.0151(4) Uani 1 1 d . . . . .
C12 C 0.5493(3) 0.84695(18) -0.25417(19) 0.0157(4) Uani 1 1 d . . . . .
O3 O 0.15686(18) 0.74790(14) 0.14654(14) 0.0227(4) Uani 1 1 d . . . . .
O5 O 0.83083(18) 0.79378(15) -0.13242(14) 0.0239(4) Uani 1 1 d . . . . .
C11 C 0.6664(3) 0.8751(2) -0.35883(19) 0.0189(5) Uani 1 1 d . . . . .
H11A H 0.6501 0.9546 -0.4026 0.023 Uiso 1 1 calc R . . . .
H11B H 0.6691 0.8294 -0.4035 0.023 Uiso 1 1 calc R . . . .
C5 C 0.2473(2) 0.70228(18) 0.20277(19) 0.0165(5) Uani 1 1 d . . . . .
C7 C 0.3589(3) 0.6160(2) 0.35445(19) 0.0190(5) Uani 1 1 d . . . . .
H7A H 0.3660 0.6575 0.4002 0.023 Uiso 1 1 calc R . . . .
H7B H 0.3767 0.5354 0.3938 0.023 Uiso 1 1 calc R . . . .
C10 C 0.8061(3) 0.8480(2) -0.31916(19) 0.0200(5) Uani 1 1 d . . . . .
H10A H 0.8715 0.7866 -0.3416 0.024 Uiso 1 1 calc R . . . .
H10B H 0.8581 0.9138 -0.3480 0.024 Uiso 1 1 calc R . . . .
O1 O 0.33832(17) 0.91296(14) 0.26400(14) 0.0214(4) Uani 1 1 d . . . . .
C2 C 0.5562(2) 0.84977(19) 0.33734(18) 0.0171(5) Uani 1 1 d . . . . .
H2A H 0.5418 0.7712 0.3780 0.020 Uiso 1 1 calc R . . . .
H2B H 0.5261 0.8918 0.3893 0.020 Uiso 1 1 calc R . . . .
C9 C 0.7540(2) 0.81415(18) -0.1962(2) 0.0171(5) Uani 1 1 d . . . . .
C1 C 0.4721(2) 0.89971(18) 0.24820(18) 0.0141(4) Uani 1 1 d . . . . .
N1 N 0.5632(2) 0.92812(15) 0.14733(15) 0.0135(4) Uani 1 1 d . . . . .
C3 C 0.7135(2) 0.8594(2) 0.27533(19) 0.0186(5) Uani 1 1 d . . . . .
H3A H 0.7543 0.9110 0.2937 0.022 Uiso 1 1 calc R . . . .
H3B H 0.7742 0.7861 0.2918 0.022 Uiso 1 1 calc R . . . .
O2 O 0.81092(17) 0.91788(14) 0.07965(13) 0.0212(4) Uani 1 1 d . . . . .
C6 C 0.2111(3) 0.6477(2) 0.3251(2) 0.0210(5) Uani 1 1 d . . . . .
H6A H 0.1630 0.5812 0.3461 0.025 Uiso 1 1 calc R . . . .
H6B H 0.1467 0.6999 0.3616 0.025 Uiso 1 1 calc R . . . .
N4 N 0.5925(2) 0.43299(15) 0.13572(15) 0.0147(4) Uani 1 1 d . . . . .
C16 C 0.7376(2) 0.42655(18) 0.1290(2) 0.0168(5) Uani 1 1 d . . . . .
C14 C 0.6271(3) 0.3479(2) 0.3168(2) 0.0205(5) Uani 1 1 d . . . . .
H14A H 0.6199 0.2691 0.3615 0.025 Uiso 1 1 calc R . . . .
H14B H 0.6079 0.3922 0.3659 0.025 Uiso 1 1 calc R . . . .
C15 C 0.7749(3) 0.3613(2) 0.2384(2) 0.0218(5) Uani 1 1 d . . . . .
H15A H 0.8311 0.4027 0.2576 0.026 Uiso 1 1 calc R . . . .
H15B H 0.8317 0.2883 0.2383 0.026 Uiso 1 1 calc R . . . .
C13 C 0.5230(3) 0.39086(18) 0.24188(19) 0.0162(5) Uani 1 1 d . . . . .
O8 O 0.82590(18) 0.46897(14) 0.04525(14) 0.0219(4) Uani 1 1 d . . . . .
O7 O 0.38987(18) 0.39030(14) 0.27388(14) 0.0215(4) Uani 1 1 d . . . . .
C4 C 0.7046(2) 0.90461(18) 0.15682(18) 0.0143(4) Uani 1 1 d . . . . .
O9 O -0.05028(19) 0.84766(17) 0.42166(15) 0.0245(4) Uani 1 1 d . . . . .
O13 O 0.2102(2) 0.33169(15) 0.48067(15) 0.0229(4) Uani 1 1 d . . . . .
O11 O -0.1720(2) 1.18310(17) 0.07747(16) 0.0259(4) Uani 1 1 d . . . . .
O14 O 0.2007(2) 0.84035(18) 0.48681(17) 0.0311(5) Uani 1 1 d . . . . .
O10 O -0.1975(2) 1.05759(17) 0.36966(18) 0.0308(5) Uani 1 1 d . . . . .
O12 O 1.1609(2) 0.4632(2) 0.17537(18) 0.0410(6) Uani 1 1 d . . . . .
O15 O -0.0245(2) 0.4107(2) 0.3779(2) 0.0464(6) Uani 1 1 d . . . . .
O16 O 0.7509(3) 0.5725(2) 0.3894(2) 0.0551(8) Uani 1 1 d . . . . .
H14C H 0.241(4) 0.864(3) 0.419(3) 0.066 Uiso 1 1 d R . . . .
H14D H 0.131(4) 0.827(3) 0.485(3) 0.066 Uiso 1 1 d R . . . .
H12A H 1.241(4) 0.447(3) 0.189(3) 0.066 Uiso 1 1 d DR . . . .
H12B H 1.181(4) 0.460(3) 0.114(3) 0.066 Uiso 1 1 d R . . . .
H11C H -0.186(4) 1.196(3) 0.022(3) 0.066 Uiso 1 1 d R . . . .
H11D H -0.258(4) 1.179(3) 0.120(3) 0.066 Uiso 1 1 d R . . . .
H16A H 0.814(4) 0.520(3) 0.384(3) 0.066 Uiso 1 1 d R . . . .
H16B H 0.702(5) 0.586(4) 0.354(4) 0.066 Uiso 1 1 d R . . . .
H13A H 0.272(4) 0.351(3) 0.422(3) 0.066 Uiso 1 1 d R . . . .
H13B H 0.227(4) 0.362(3) 0.521(3) 0.066 Uiso 1 1 d R . . . .
H9A H -0.106(4) 0.910(3) 0.416(3) 0.066 Uiso 1 1 d R . . . .
H9B H -0.110(4) 0.795(3) 0.450(3) 0.066 Uiso 1 1 d R . . . .
H10C H -0.218(4) 1.089(3) 0.419(3) 0.066 Uiso 1 1 d R . . . .
H10D H -0.272(4) 1.083(3) 0.357(3) 0.066 Uiso 1 1 d R . . . .
H15C H 0.034(3) 0.422(3) 0.310(3) 0.066 Uiso 1 1 d DR . . . .
H15D H 0.034(4) 0.391(3) 0.420(3) 0.066 Uiso 1 1 d R . . . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Cs2 0.01495(7) 0.01530(7) 0.02155(8) -0.00582(6) -0.00516(6) -0.00149(5)
Cs1 0.01448(7) 0.01643(7) 0.01666(7) -0.00218(6) -0.00437(5) -0.00349(5)
Ag3 0.01492(11) 0.01608(11) 0.01327(12) -0.00330(9) -0.00487(9) -0.00219(9)
Ag1 0.01539(11) 0.01566(11) 0.01178(11) -0.00320(9) -0.00621(9) -0.00059(9)
Ag2 0.01464(8) 0.01666(8) 0.01340(8) -0.00390(7) -0.00403(6) -0.00249(6)
O6 0.0175(8) 0.0253(9) 0.0220(9) -0.0072(7) -0.0078(7) -0.0018(7)
O4 0.0192(8) 0.0244(9) 0.0204(9) -0.0078(7) -0.0081(7) 0.0014(7)
C8 0.0194(11) 0.0111(10) 0.0152(11) -0.0049(9) -0.0057(9) -0.0005(8)
N3 0.0164(9) 0.0156(9) 0.0143(10) -0.0049(8) -0.0028(7) -0.0035(7)
N2 0.0162(9) 0.0155(9) 0.0135(9) -0.0048(8) -0.0041(7) -0.0009(7)
C12 0.0205(11) 0.0115(10) 0.0162(11) -0.0050(9) -0.0057(9) -0.0012(8)
O3 0.0199(9) 0.0256(9) 0.0227(9) -0.0071(8) -0.0084(7) 0.0000(7)
O5 0.0218(9) 0.0293(10) 0.0229(9) -0.0057(8) -0.0095(7) -0.0071(7)
C11 0.0231(12) 0.0189(11) 0.0147(11) -0.0059(9) -0.0037(9) -0.0029(9)
C5 0.0181(11) 0.0128(10) 0.0212(12) -0.0078(9) -0.0053(9) -0.0019(9)
C7 0.0239(12) 0.0173(11) 0.0153(12) -0.0040(9) -0.0042(9) -0.0044(9)
C10 0.0184(11) 0.0221(12) 0.0178(12) -0.0068(10) -0.0005(9) -0.0037(9)
O1 0.0151(8) 0.0278(9) 0.0208(9) -0.0076(7) -0.0055(7) -0.0010(7)
C2 0.0179(11) 0.0195(11) 0.0132(11) -0.0042(9) -0.0049(9) -0.0018(9)
C9 0.0181(11) 0.0122(10) 0.0220(12) -0.0061(9) -0.0051(9) -0.0026(9)
C1 0.0183(11) 0.0109(10) 0.0143(11) -0.0040(9) -0.0059(9) -0.0018(8)
N1 0.0159(9) 0.0127(9) 0.0123(9) -0.0029(7) -0.0060(7) -0.0010(7)
C3 0.0164(11) 0.0242(12) 0.0164(12) -0.0054(10) -0.0066(9) -0.0032(9)
O2 0.0171(8) 0.0248(9) 0.0180(9) -0.0049(7) -0.0013(7) -0.0026(7)
C6 0.0204(12) 0.0218(12) 0.0192(12) -0.0068(10) -0.0016(10) -0.0035(10)
N4 0.0165(9) 0.0135(9) 0.0153(10) -0.0047(8) -0.0061(7) -0.0009(7)
C16 0.0187(11) 0.0138(11) 0.0226(12) -0.0093(9) -0.0084(9) -0.0004(9)
C14 0.0278(13) 0.0174(11) 0.0194(12) -0.0062(10) -0.0128(10) 0.0008(10)
C15 0.0214(12) 0.0248(13) 0.0230(13) -0.0091(11) -0.0122(10) 0.0013(10)
C13 0.0204(12) 0.0117(10) 0.0179(12) -0.0057(9) -0.0063(9) -0.0008(9)
O8 0.0185(8) 0.0240(9) 0.0237(9) -0.0077(8) -0.0034(7) -0.0059(7)
O7 0.0204(9) 0.0246(9) 0.0170(9) -0.0050(7) -0.0030(7) -0.0029(7)
C4 0.0172(11) 0.0110(10) 0.0161(11) -0.0050(9) -0.0060(9) -0.0007(8)
O9 0.0204(9) 0.0289(10) 0.0251(10) -0.0090(8) -0.0037(7) -0.0064(8)
O13 0.0262(10) 0.0240(9) 0.0182(9) -0.0057(8) -0.0033(7) -0.0074(7)
O11 0.0175(9) 0.0363(11) 0.0226(10) -0.0065(9) -0.0077(8) -0.0025(8)
O14 0.0281(11) 0.0432(12) 0.0244(10) -0.0118(9) -0.0048(9) -0.0094(9)
O10 0.0360(11) 0.0283(11) 0.0322(11) -0.0096(9) -0.0188(9) 0.0016(9)
O12 0.0285(11) 0.0617(15) 0.0294(12) -0.0168(11) -0.0122(9) 0.0109(10)
O15 0.0292(12) 0.0755(17) 0.0439(14) -0.0322(13) -0.0204(10) 0.0123(11)
O16 0.083(2) 0.0425(14) 0.0642(17) -0.0351(13) -0.0588(16) 0.0288(13)
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'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
Cs2 Cs2 H12B 49.2(7) 2_765 . ?
Cs1 Cs2 Cs2 150.917(5) 1_655 2_765 ?
Cs1 Cs2 Cs2 117.807(7) 2_675 2_765 ?
Cs1 Cs2 Cs1 57.762(6) 2_675 1_655 ?
Cs1 Cs2 H12B 129.6(7) 2_675 . ?
Cs1 Cs2 H12B 108.6(7) 1_655 . ?
O4 Cs2 Cs2 104.62(3) . 2_765 ?
O4 Cs2 Cs1 111.52(3) . 2_675 ?
O4 Cs2 Cs1 103.18(3) . 1_655 ?
O4 Cs2 H12B 118.9(7) . . ?
O3 Cs2 Cs2 120.39(3) 1_655 2_765 ?
O3 Cs2 Cs1 79.40(3) 1_655 2_675 ?
O3 Cs2 Cs1 33.51(3) 1_655 1_655 ?
O3 Cs2 O4 121.77(4) 1_655 . ?
O3 Cs2 O2 71.20(4) 1_655 . ?
O3 Cs2 O11 52.06(5) 1_655 2_675 ?
O3 Cs2 O12 67.99(6) 1_655 . ?
O3 Cs2 H12B 75.1(7) 1_655 . ?
O5 Cs2 Cs2 84.46(3) . 2_765 ?
O5 Cs2 Cs1 100.94(3) . 1_655 ?
O5 Cs2 Cs1 43.90(3) . 2_675 ?
O5 Cs2 O4 96.11(4) . . ?
O5 Cs2 O3 121.52(5) . 1_655 ?
O5 Cs2 O2 73.73(5) . . ?
O5 Cs2 O8 81.70(5) . . ?
O5 Cs2 O8 89.04(5) . 2_765 ?
O5 Cs2 O11 73.34(5) . 2_675 ?
O5 Cs2 O12 140.28(5) . . ?
O5 Cs2 H12B 125.8(7) . . ?
O2 Cs2 Cs2 158.05(3) . 2_765 ?
O2 Cs2 Cs1 37.72(3) . 1_655 ?
O2 Cs2 Cs1 42.55(3) . 2_675 ?
O2 Cs2 O4 80.60(4) . . ?
O2 Cs2 O12 137.33(5) . . ?
O2 Cs2 H12B 146.3(7) . . ?
O8 Cs2 Cs2 33.20(3) 2_765 2_765 ?
O8 Cs2 Cs2 32.57(3) . 2_765 ?
O8 Cs2 Cs1 101.67(3) 2_765 2_675 ?
O8 Cs2 Cs1 117.81(3) 2_765 1_655 ?
O8 Cs2 Cs1 175.41(3) . 1_655 ?
O8 Cs2 Cs1 125.31(3) . 2_675 ?
O8 Cs2 O4 136.90(4) 2_765 . ?
O8 Cs2 O4 72.69(4) . . ?
O8 Cs2 O3 147.25(4) . 1_655 ?
O8 Cs2 O3 90.09(4) 2_765 1_655 ?
O8 Cs2 O2 141.30(4) . . ?
O8 Cs2 O2 141.02(4) 2_765 . ?
O8 Cs2 O8 65.77(5) 2_765 . ?
O8 Cs2 O11 128.66(5) . 2_675 ?
O8 Cs2 O11 69.62(5) 2_765 2_675 ?
O8 Cs2 O12 79.46(6) . . ?
O8 Cs2 O12 51.32(5) 2_765 . ?
O8 Cs2 H12B 37.0(7) 2_765 . ?
O8 Cs2 H12B 72.4(7) . . ?
O11 Cs2 Cs2 99.76(4) 2_675 2_765 ?
O11 Cs2 Cs1 55.91(4) 2_675 1_655 ?
O11 Cs2 Cs1 43.73(3) 2_675 2_675 ?
O11 Cs2 O4 152.38(5) 2_675 . ?
O11 Cs2 O2 71.98(5) 2_675 . ?
O11 Cs2 O12 92.00(6) 2_675 . ?
O11 Cs2 H12B 87.0(7) 2_675 . ?
O12 Cs2 Cs2 61.39(4) . 2_765 ?
O12 Cs2 Cs1 100.49(5) . 1_655 ?
O12 Cs2 Cs1 135.70(4) . 2_675 ?
O12 Cs2 O4 110.95(5) . . ?
O12 Cs2 H12B 14.5(7) . . ?
Cs2 Cs1 Cs2 122.237(6) 2_675 1_455 ?
Cs2 Cs1 Cs1 69.596(6) 2_675 2_575 ?
Cs2 Cs1 H9A 94.6(7) 1_455 . ?
Cs2 Cs1 H9A 129.1(7) 2_675 . ?
Cs1 Cs1 Cs2 52.641(4) 2_575 1_455 ?
Cs1 Cs1 H9A 133.0(7) 2_575 . ?
Ag1 Cs1 Cs2 75.063(5) . 2_675 ?
Ag1 Cs1 Cs2 103.047(4) . 1_455 ?
Ag1 Cs1 Cs1 90.455(6) . 2_575 ?
Ag1 Cs1 H9A 133.3(7) . . ?
O3 Cs1 Cs2 134.93(3) . 2_675 ?
O3 Cs1 Cs2 33.88(3) . 1_455 ?
O3 Cs1 Cs1 75.15(3) . 2_575 ?
O3 Cs1 Ag1 78.10(3) . . ?
O3 Cs1 O1 78.93(4) . . ?
O3 Cs1 O2 69.79(4) . 1_455 ?
O3 Cs1 O9 81.69(5) . . ?
O3 Cs1 O10 125.54(5) . . ?
O3 Cs1 H9A 95.5(7) . . ?
O5 Cs1 Cs2 161.83(3) 2_675 1_455 ?
O5 Cs1 Cs2 41.94(3) 2_675 2_675 ?
O5 Cs1 Cs1 110.72(3) 2_675 2_575 ?
O5 Cs1 Ag1 66.96(3) 2_675 . ?
O5 Cs1 O3 144.37(5) 2_675 . ?
O5 Cs1 O1 74.03(4) 2_675 . ?
O5 Cs1 O2 137.13(4) 2_675 1_455 ?
O5 Cs1 O9 111.47(5) 2_675 . ?
O5 Cs1 O10 82.55(5) 2_675 . ?
O5 Cs1 H9A 103.2(7) 2_675 . ?
O1 Cs1 Cs2 109.61(3) . 2_675 ?
O1 Cs1 Cs2 112.40(3) . 1_455 ?
O1 Cs1 Cs1 137.53(3) . 2_575 ?
O1 Cs1 Ag1 51.23(3) . . ?
O1 Cs1 O2 148.01(4) . 1_455 ?
O1 Cs1 O9 73.29(4) . . ?
O1 Cs1 O10 100.65(5) . . ?
O1 Cs1 H9A 82.1(7) . . ?
O2 Cs1 Cs2 35.95(3) 1_455 1_455 ?
O2 Cs1 Cs2 86.85(3) 2_675 1_455 ?
O2 Cs1 Cs2 46.15(3) 2_675 2_675 ?
O2 Cs1 Cs2 97.46(3) 1_455 2_675 ?
O2 Cs1 Cs1 39.20(3) 1_455 2_575 ?
O2 Cs1 Cs1 44.62(3) 2_675 2_575 ?
O2 Cs1 Ag1 124.92(3) 1_455 . ?
O2 Cs1 Ag1 51.41(3) 2_675 . ?
O2 Cs1 O3 88.90(5) 2_675 . ?
O2 Cs1 O5 75.05(5) 2_675 2_675 ?
O2 Cs1 O1 102.58(4) 2_675 . ?
O2 Cs1 O2 83.81(4) 2_675 1_455 ?
O2 Cs1 O9 170.27(5) 2_675 . ?
O2 Cs1 O11 76.08(5) 2_675 . ?
O2 Cs1 O10 141.59(5) 2_675 . ?
O2 Cs1 O10 92.32(5) 1_455 . ?
O2 Cs1 H9A 94.1(7) 1_455 . ?
O2 Cs1 H9A 174.1(7) 2_675 . ?
O9 Cs1 Cs2 143.37(3) . 2_675 ?
O9 Cs1 Cs2 86.68(3) . 1_455 ?
O9 Cs1 Cs1 133.63(3) . 2_575 ?
O9 Cs1 Ag1 123.41(3) . . ?
O9 Cs1 O2 95.16(4) . 1_455 ?
O9 Cs1 O10 48.03(5) . . ?
O9 Cs1 H9A 15.2(7) . . ?
O11 Cs1 Cs2 101.16(4) . 1_455 ?
O11 Cs1 Cs2 45.47(4) . 2_675 ?
O11 Cs1 Cs1 63.61(4) . 2_575 ?
O11 Cs1 Ag1 119.67(4) . . ?
O11 Cs1 O3 134.06(5) . . ?
O11 Cs1 O5 73.20(5) . 2_675 ?
O11 Cs1 O1 146.35(5) . . ?
O11 Cs1 O2 65.63(5) . 1_455 ?
O11 Cs1 O9 112.35(5) . . ?
O11 Cs1 O10 67.68(5) . . ?
O11 Cs1 H9A 98.1(7) . . ?
O10 Cs1 Cs2 111.75(4) . 1_455 ?
O10 Cs1 Cs2 97.10(3) . 2_675 ?
O10 Cs1 Cs1 121.79(3) . 2_575 ?
O10 Cs1 Ag1 142.39(4) . . ?
O10 Cs1 H9A 32.8(7) . . ?
Ag2 Ag3 Ag2 180.0 . 2_665 ?
N4 Ag3 Ag2 90.09(5) 2_665 2_665 ?
N4 Ag3 Ag2 89.91(5) 2_665 . ?
N4 Ag3 Ag2 89.91(5) . 2_665 ?
N4 Ag3 Ag2 90.09(5) . . ?
N4 Ag3 N4 180.0 . 2_665 ?
Cs1 Ag1 Cs1 180.0 2_675 . ?
Ag2 Ag1 Cs1 86.045(4) 2_675 2_675 ?
Ag2 Ag1 Cs1 86.045(5) . . ?
Ag2 Ag1 Cs1 93.955(5) 2_675 . ?
Ag2 Ag1 Cs1 93.955(5) . 2_675 ?
Ag2 Ag1 Ag2 180.0 2_675 . ?
N1 Ag1 Cs1 88.87(5) 2_675 . ?
N1 Ag1 Cs1 91.13(5) 2_675 2_675 ?
N1 Ag1 Cs1 88.87(5) . 2_675 ?
N1 Ag1 Cs1 91.13(5) . . ?
N1 Ag1 Ag2 91.15(5) . 2_675 ?
N1 Ag1 Ag2 91.15(5) 2_675 . ?
N1 Ag1 Ag2 88.85(5) 2_675 2_675 ?
N1 Ag1 Ag2 88.85(5) . . ?
N1 Ag1 N1 180.0 . 2_675 ?
Ag1 Ag2 Ag3 179.110(6) . . ?
N3 Ag2 Ag3 94.06(5) . . ?
N3 Ag2 Ag1 86.67(5) . . ?
N3 Ag2 N2 178.73(7) . . ?
N2 Ag2 Ag3 84.78(5) . . ?
N2 Ag2 Ag1 94.49(5) . . ?
C8 O4 Cs2 152.22(15) . . ?
O4 C8 N2 123.7(2) . . ?
O4 C8 C7 124.9(2) . . ?
N2 C8 C7 111.46(19) . . ?
C12 N3 Ag2 128.15(15) . . ?
C12 N3 C9 110.22(19) . . ?
C9 N3 Ag2 121.63(15) . . ?
C8 N2 Ag2 123.71(15) . . ?
C8 N2 C5 109.93(19) . . ?
C5 N2 Ag2 126.33(15) . . ?
O6 C12 N3 124.4(2) . . ?
O6 C12 C11 124.2(2) . . ?
N3 C12 C11 111.3(2) . . ?
Cs1 O3 Cs2 112.60(5) . 1_455 ?
C5 O3 Cs2 135.48(15) . 1_455 ?
C5 O3 Cs1 106.49(14) . . ?
Cs2 O5 Cs1 94.16(5) . 2_675 ?
C9 O5 Cs2 153.59(16) . . ?
C9 O5 Cs1 109.09(15) . 2_675 ?
C12 C11 H11A 111.0 . . ?
C12 C11 H11B 111.0 . . ?
C12 C11 C10 103.70(19) . . ?
H11A C11 H11B 109.0 . . ?
C10 C11 H11A 111.0 . . ?
C10 C11 H11B 111.0 . . ?
N2 C5 C6 111.4(2) . . ?
O3 C5 N2 123.8(2) . . ?
O3 C5 C6 124.8(2) . . ?
C8 C7 H7A 111.1 . . ?
C8 C7 H7B 111.1 . . ?
C8 C7 C6 103.38(19) . . ?
H7A C7 H7B 109.1 . . ?
C6 C7 H7A 111.1 . . ?
C6 C7 H7B 111.1 . . ?
C11 C10 H10A 111.0 . . ?
C11 C10 H10B 111.0 . . ?
H10A C10 H10B 109.0 . . ?
C9 C10 C11 103.61(19) . . ?
C9 C10 H10A 111.0 . . ?
C9 C10 H10B 111.0 . . ?
C1 O1 Cs1 147.98(15) . . ?
H2A C2 H2B 109.0 . . ?
C1 C2 H2A 111.0 . . ?
C1 C2 H2B 111.0 . . ?
C1 C2 C3 103.61(18) . . ?
C3 C2 H2A 111.0 . . ?
C3 C2 H2B 111.0 . . ?
N3 C9 C10 110.9(2) . . ?
O5 C9 N3 123.9(2) . . ?
O5 C9 C10 125.2(2) . . ?
O1 C1 C2 124.8(2) . . ?
O1 C1 N1 123.9(2) . . ?
N1 C1 C2 111.30(19) . . ?
C1 N1 Ag1 125.73(15) . . ?
C1 N1 C4 109.98(18) . . ?
C4 N1 Ag1 124.27(15) . . ?
C2 C3 H3A 111.0 . . ?
C2 C3 H3B 111.0 . . ?
H3A C3 H3B 109.0 . . ?
C4 C3 C2 103.63(18) . . ?
C4 C3 H3A 111.0 . . ?
C4 C3 H3B 111.0 . . ?
Cs2 O2 Cs1 106.33(5) . 1_655 ?
Cs1 O2 Cs2 91.30(4) 2_675 . ?
Cs1 O2 Cs1 96.19(4) 2_675 1_655 ?
C4 O2 Cs2 101.69(14) . . ?
C4 O2 Cs1 150.22(15) . 2_675 ?
C4 O2 Cs1 105.45(14) . 1_655 ?
C5 C6 C7 103.65(19) . . ?
C5 C6 H6A 111.0 . . ?
C5 C6 H6B 111.0 . . ?
C7 C6 H6A 111.0 . . ?
C7 C6 H6B 111.0 . . ?
H6A C6 H6B 109.0 . . ?
C16 N4 Ag3 123.45(16) . . ?
C13 N4 Ag3 127.22(15) . . ?
C13 N4 C16 109.33(19) . . ?
N4 C16 C15 111.2(2) . . ?
O8 C16 N4 124.4(2) . . ?
O8 C16 C15 124.4(2) . . ?
H14A C14 H14B 109.1 . . ?
C15 C14 H14A 111.1 . . ?
C15 C14 H14B 111.1 . . ?
C13 C14 H14A 111.1 . . ?
C13 C14 H14B 111.1 . . ?
C13 C14 C15 103.30(19) . . ?
C16 C15 C14 103.29(19) . . ?
C16 C15 H15A 111.1 . . ?
C16 C15 H15B 111.1 . . ?
C14 C15 H15A 111.1 . . ?
C14 C15 H15B 111.1 . . ?
H15A C15 H15B 109.1 . . ?
N4 C13 C14 111.9(2) . . ?
O7 C13 N4 124.1(2) . . ?
O7 C13 C14 124.0(2) . . ?
Cs2 O8 Cs2 114.23(5) 2_765 . ?
C16 O8 Cs2 107.51(14) . . ?
C16 O8 Cs2 123.70(14) . 2_765 ?
N1 C4 C3 111.23(19) . . ?
O2 C4 N1 124.8(2) . . ?
O2 C4 C3 124.0(2) . . ?
Cs1 O9 H9A 78(3) . . ?
Cs1 O9 H9B 127(2) . . ?
H9A O9 H9B 106(3) . . ?
H13A O13 H13B 105(4) . . ?
Cs2 O11 H11C 78(3) 2_675 . ?
Cs2 O11 H11D 148(3) 2_675 . ?
Cs1 O11 Cs2 90.80(5) . 2_675 ?
Cs1 O11 H11C 120(3) . . ?
Cs1 O11 H11D 114(3) . . ?
H11C O11 H11D 103(4) . . ?
H14C O14 H14D 101(4) . . ?
Cs1 O10 H10C 147(3) . . ?
Cs1 O10 H10D 115(3) . . ?
H10C O10 H10D 90(4) . . ?
Cs2 O12 H12A 144(3) . . ?
Cs2 O12 H12B 82(3) . . ?
H12A O12 H12B 101(4) . . ?
H15C O15 H15D 105(3) . . ?
H16A O16 H16B 114(4) . . ?
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
Cs2 O4 3.2555(17) . ?
Cs2 O3 3.1845(17) 1_655 ?
Cs2 O5 2.9967(17) . ?
Cs2 O2 3.2258(17) . ?
Cs2 O8 3.1189(17) 2_765 ?
Cs2 O8 3.1721(17) . ?
Cs2 O11 3.189(2) 2_675 ?
Cs2 O12 3.244(2) . ?
Cs2 H12B 3.24(4) . ?
Cs1 O3 3.1537(17) . ?
Cs1 O5 3.1093(18) 2_675 ?
Cs1 O1 3.1870(16) . ?
Cs1 O2 3.0252(17) 2_675 ?
Cs1 O2 3.3620(17) 1_455 ?
Cs1 O9 3.2839(19) . ?
Cs1 O11 3.0914(19) . ?
Cs1 O10 3.420(2) . ?
Cs1 H9A 3.22(4) . ?
Ag3 Ag2 3.3292(3) . ?
Ag3 Ag2 3.3293(3) 2_665 ?
Ag3 N4 2.0895(19) . ?
Ag3 N4 2.0895(19) 2_665 ?
Ag1 Ag2 3.2209(3) . ?
Ag1 Ag2 3.2209(3) 2_675 ?
Ag1 N1 2.0749(18) . ?
Ag1 N1 2.0749(18) 2_675 ?
Ag2 N3 2.0745(19) . ?
Ag2 N2 2.0754(19) . ?
O6 C12 1.237(3) . ?
O4 C8 1.234(3) . ?
C8 N2 1.360(3) . ?
C8 C7 1.519(3) . ?
N3 C12 1.355(3) . ?
N3 C9 1.375(3) . ?
N2 C5 1.371(3) . ?
C12 C11 1.517(3) . ?
O3 Cs2 3.1845(17) 1_455 ?
O3 C5 1.233(3) . ?
O5 Cs1 3.1093(18) 2_675 ?
O5 C9 1.221(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C10 1.523(3) . ?
C5 C6 1.509(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C6 1.525(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C9 1.513(3) . ?
O1 C1 1.235(3) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C1 1.516(3) . ?
C2 C3 1.520(3) . ?
C1 N1 1.363(3) . ?
N1 C4 1.369(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.513(3) . ?
O2 Cs1 3.0252(17) 2_675 ?
O2 Cs1 3.3620(17) 1_655 ?
O2 C4 1.227(3) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
N4 C16 1.369(3) . ?
N4 C13 1.358(3) . ?
C16 C15 1.513(3) . ?
C16 O8 1.229(3) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.518(3) . ?
C14 C13 1.511(3) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C13 O7 1.238(3) . ?
O8 Cs2 3.1189(17) 2_765 ?
O9 H9A 0.86(4) . ?
O9 H9B 0.90(4) . ?
O13 H13A 0.83(4) . ?
O13 H13B 0.85(4) . ?
O11 Cs2 3.189(2) 2_675 ?
O11 H11C 0.75(4) . ?
O11 H11D 0.86(4) . ?
O14 H14C 0.85(4) . ?
O14 H14D 0.75(4) . ?
O10 H10C 0.86(4) . ?
O10 H10D 0.76(4) . ?
O12 H12A 0.81(4) . ?
O12 H12B 0.82(4) . ?
O15 H15C 0.91(3) . ?
O15 H15D 0.86(4) . ?
O16 H16A 0.82(4) . ?
O16 H16B 0.72(4) . ?
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
Cs2 O4 C8 N2 6.5(5) . . . . ?
Cs2 O4 C8 C7 -172.7(2) . . . . ?
Cs2 O3 C5 N2 112.2(2) 1_455 . . . ?
Cs2 O3 C5 C6 -68.7(3) 1_455 . . . ?
Cs2 O5 C9 N3 38.5(5) . . . . ?
Cs2 O5 C9 C10 -142.1(3) . . . . ?
Cs2 O2 C4 N1 -102.7(2) . . . . ?
Cs2 O2 C4 C3 77.1(2) . . . . ?
Cs1 O3 C5 N2 -97.1(2) . . . . ?
Cs1 O3 C5 C6 82.1(2) . . . . ?
Cs1 O5 C9 N3 -111.9(2) 2_675 . . . ?
Cs1 O5 C9 C10 67.5(2) 2_675 . . . ?
Cs1 O1 C1 C2 -176.38(17) . . . . ?
Cs1 O1 C1 N1 3.4(4) . . . . ?
Cs1 O2 C4 N1 146.49(18) 1_655 . . . ?
Cs1 O2 C4 N1 11.4(4) 2_675 . . . ?
Cs1 O2 C4 C3 -33.7(2) 1_655 . . . ?
Cs1 O2 C4 C3 -168.84(19) 2_675 . . . ?
Ag3 N4 C16 C15 -172.84(14) . . . . ?
Ag3 N4 C16 O8 7.7(3) . . . . ?
Ag3 N4 C13 C14 178.88(14) . . . . ?
Ag3 N4 C13 O7 -2.9(3) . . . . ?
Ag1 N1 C4 C3 176.34(14) . . . . ?
Ag1 N1 C4 O2 -3.9(3) . . . . ?
Ag2 N3 C12 O6 3.3(3) . . . . ?
Ag2 N3 C12 C11 -177.69(15) . . . . ?
Ag2 N3 C9 O5 -5.3(3) . . . . ?
Ag2 N3 C9 C10 175.23(14) . . . . ?
Ag2 N2 C5 O3 -2.5(3) . . . . ?
Ag2 N2 C5 C6 178.29(15) . . . . ?
O6 C12 C11 C10 179.7(2) . . . . ?
O4 C8 N2 Ag2 -0.5(3) . . . . ?
O4 C8 N2 C5 -178.6(2) . . . . ?
O4 C8 C7 C6 -178.4(2) . . . . ?
C8 N2 C5 O3 175.5(2) . . . . ?
C8 N2 C5 C6 -3.7(3) . . . . ?
C8 C7 C6 C5 -4.1(2) . . . . ?
N3 C12 C11 C10 0.6(2) . . . . ?
N2 C8 C7 C6 2.3(2) . . . . ?
N2 C5 C6 C7 5.0(3) . . . . ?
C12 N3 C9 O5 174.2(2) . . . . ?
C12 N3 C9 C10 -5.3(3) . . . . ?
C12 C11 C10 C9 -3.4(2) . . . . ?
O3 C5 C6 C7 -174.3(2) . . . . ?
C11 C10 C9 N3 5.4(3) . . . . ?
C11 C10 C9 O5 -174.1(2) . . . . ?
C7 C8 N2 Ag2 178.86(14) . . . . ?
C7 C8 N2 C5 0.8(2) . . . . ?
O1 C1 N1 Ag1 0.6(3) . . . . ?
O1 C1 N1 C4 179.2(2) . . . . ?
C2 C1 N1 Ag1 -179.65(14) . . . . ?
C2 C1 N1 C4 -1.0(2) . . . . ?
C2 C3 C4 N1 4.6(2) . . . . ?
C2 C3 C4 O2 -175.3(2) . . . . ?
C9 N3 C12 O6 -176.2(2) . . . . ?
C9 N3 C12 C11 2.9(2) . . . . ?
C1 C2 C3 C4 -4.7(2) . . . . ?
C1 N1 C4 C3 -2.3(2) . . . . ?
C1 N1 C4 O2 177.5(2) . . . . ?
C3 C2 C1 O1 -176.4(2) . . . . ?
C3 C2 C1 N1 3.8(2) . . . . ?
N4 C16 C15 C14 -10.3(3) . . . . ?
N4 C16 O8 Cs2 -112.5(2) . . . 2_765 ?
N4 C16 O8 Cs2 110.8(2) . . . . ?
C16 N4 C13 C14 -1.7(2) . . . . ?
C16 N4 C13 O7 176.5(2) . . . . ?
C15 C16 O8 Cs2 -68.6(2) . . . . ?
C15 C16 O8 Cs2 68.0(3) . . . 2_765 ?
C15 C14 C13 N4 -4.7(3) . . . . ?
C15 C14 C13 O7 177.1(2) . . . . ?
C13 N4 C16 C15 7.8(3) . . . . ?
C13 N4 C16 O8 -171.7(2) . . . . ?
C13 C14 C15 C16 8.5(2) . . . . ?
O8 C16 C15 C14 169.1(2) . . . . ?