# Electronic Supplementary Material (ESI) for RSC Advances
# This journal is © The Royal Society of Chemistry 2012


data_global
_journal_name_full               'RSC Advances'
_journal_coden_cambridge         1500
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_contact_author_address     ?
_publ_contact_author_email       dsun@sdu.edu.cn
_publ_contact_author_phone       ?
_publ_contact_author_name        'Di Sun'
_publ_author_name                'Di Sun'

data_p1
_database_code_depnum_ccdc_archive 'CCDC 888434'
#TrackingRef '- p1-2.cif'

_audit_creation_date             2012-06-18
_audit_creation_method           
;
Olex2 1.2-ac2
(compiled 2012.03.06 svn.r2239, GUI svn.r4109)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
?
;
_chemical_formula_moiety         'C16 H13 Ag2 N4 O6 S'
_chemical_formula_sum            'C16 H13 Ag2 N4 O6 S'
_chemical_formula_weight         605.10
_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 0.0033 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'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.0150(12)
_cell_length_b                   9.2725(10)
_cell_length_c                   18.251(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.2030(10)
_cell_angle_gamma                90.00
_cell_volume                     1840.1(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    ?
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_exptl_absorpt_coefficient_mu    2.286
_exptl_absorpt_correction_T_max  0.8036
_exptl_absorpt_correction_T_min  0.7255
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.184
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ?
_exptl_crystal_F_000             1180
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_exptl_special_details           
;
?
;
_diffrn_reflns_av_R_equivalents  0.0418
_diffrn_reflns_av_unetI/netI     0.0484
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            15090
_diffrn_reflns_theta_full        27.55
_diffrn_reflns_theta_max         27.55
_diffrn_reflns_theta_min         2.26
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                2976
_reflns_number_total             4239
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    
;
XS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_refine_diff_density_max         1.256
_refine_diff_density_min         -0.868
_refine_diff_density_rms         0.104
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4239
_refine_ls_number_restraints     29
_refine_ls_R_factor_all          0.0737
_refine_ls_R_factor_gt           0.0481
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0565P)^2^+3.5889P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1219
_refine_ls_wR_factor_ref         0.1344
_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.70227(10) 0.24490(10) 0.54745(4) 0.0611(2) Uani 0.90 1 d P . .
Ag1A Ag 0.6828(9) 0.2246(10) 0.5756(5) 0.075(2) Uani 0.10 1 d P . .
Ag2 Ag 0.63535(6) -0.20467(6) 0.69549(3) 0.0700(2) Uani 1 1 d . . .
S1 S 0.70018(13) -0.05487(14) 0.59672(7) 0.0429(3) Uani 1 1 d . . .
C1 C 0.8264(8) 0.4818(7) 0.4451(4) 0.075(2) Uani 1 1 d . . .
H1 H 0.8241 0.5405 0.4862 0.090 Uiso 1 1 calc R . .
C2 C 0.8776(10) 0.5404(9) 0.3848(5) 0.106(3) Uani 1 1 d . . .
H2 H 0.8966 0.6378 0.3826 0.127 Uiso 1 1 calc R . .
C3 C 0.8972(9) 0.4484(9) 0.3311(4) 0.087(3) Uani 1 1 d . . .
H3 H 0.9378 0.4809 0.2933 0.104 Uiso 1 1 calc R . .
C4 C 0.8571(5) 0.3015(6) 0.3306(3) 0.0425(12) Uani 1 1 d . . .
H4 H 0.8690 0.2354 0.2941 0.051 Uiso 1 1 calc R . .
C5 C 0.7979(6) 0.2677(6) 0.3912(3) 0.0518(14) Uani 1 1 d . . .
C6 C 0.7490(6) 0.1219(6) 0.3934(3) 0.0524(14) Uani 1 1 d . . .
H6 H 0.7586 0.0563 0.3562 0.063 Uiso 1 1 calc R . .
C7 C 0.6395(5) -0.0536(6) 0.4438(3) 0.0432(12) Uani 1 1 d . . .
C8 C 0.5838(6) -0.1167(8) 0.3764(3) 0.0609(17) Uani 1 1 d . . .
H8 H 0.5839 -0.0665 0.3323 0.073 Uiso 1 1 calc R . .
C9 C 0.5305(6) -0.2477(8) 0.3740(4) 0.0668(18) Uani 1 1 d . . .
H9 H 0.4955 -0.2872 0.3287 0.080 Uiso 1 1 calc R . .
C10 C 0.5278(6) -0.3239(7) 0.4393(4) 0.0584(16) Uani 1 1 d . . .
H10 H 0.4914 -0.4146 0.4378 0.070 Uiso 1 1 calc R . .
C11 C 0.5793(5) -0.2642(6) 0.5066(3) 0.0490(13) Uani 1 1 d . . .
H11 H 0.5763 -0.3146 0.5503 0.059 Uiso 1 1 calc R . .
C12 C 0.6360(5) -0.1289(5) 0.5095(3) 0.0369(11) Uani 1 1 d . . .
C13 C 0.8619(5) -0.1139(7) 0.6098(3) 0.0508(14) Uani 1 1 d . . .
H13A H 0.9017 -0.0844 0.6588 0.061 Uiso 1 1 calc R . .
H13B H 0.8641 -0.2184 0.6080 0.061 Uiso 1 1 calc R . .
C14 C 0.9812(5) 0.0828(6) 0.5591(3) 0.0485(13) Uani 1 1 d . . .
H14 H 0.9687 0.1401 0.5990 0.058 Uiso 1 1 calc R . .
C15 C 0.9338(5) -0.0548(6) 0.5531(3) 0.0418(12) Uani 1 1 d . . .
C16 C 0.9530(5) -0.1374(6) 0.4932(3) 0.0490(13) Uani 1 1 d . . .
H16 H 0.9215 -0.2305 0.4879 0.059 Uiso 1 1 calc R . .
N1 N 0.7848(6) 0.3582(6) 0.4467(3) 0.0682(15) Uani 1 1 d . . .
N2 N 0.6927(4) 0.0845(5) 0.4464(2) 0.0444(10) Uani 1 1 d . . .
N3 N 0.7179(5) -0.0295(5) 0.8337(3) 0.0540(12) Uani 1 1 d . . .
N4 N 0.4502(5) -0.3863(6) 0.7369(3) 0.0663(16) Uani 1 1 d D . .
O1 O 0.7191(4) -0.1636(4) 0.8274(2) 0.0633(12) Uani 1 1 d . . .
O2 O 0.7538(5) 0.0243(6) 0.8949(2) 0.0783(14) Uani 1 1 d . . .
O3 O 0.6844(5) 0.0476(6) 0.7795(3) 0.0852(16) Uani 1 1 d . . .
O4 O 0.5376(7) -0.4292(7) 0.7118(5) 0.114(2) Uani 0.90 1 d PDU . .
O4A O 0.558(2) -0.353(7) 0.764(4) 0.108(5) Uani 0.10 1 d PDU . .
O5 O 0.4386(6) -0.2526(6) 0.7430(5) 0.102(2) Uani 0.90 1 d PDU . .
O5A O 0.445(6) -0.348(6) 0.6706(11) 0.102(5) Uani 0.10 1 d PDU . .
O6 O 0.3835(6) -0.4750(7) 0.7601(4) 0.114(2) Uani 1 1 d D . .

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
Ag1 0.0971(6) 0.0449(3) 0.0475(4) -0.0118(3) 0.0305(4) -0.0149(3)
Ag1A 0.096(6) 0.062(4) 0.070(5) -0.021(4) 0.020(5) -0.017(3)
Ag2 0.0996(5) 0.0721(4) 0.0434(3) -0.0008(2) 0.0270(3) -0.0304(3)
S1 0.0604(8) 0.0374(6) 0.0330(6) -0.0029(5) 0.0141(6) -0.0110(6)
C1 0.131(6) 0.050(4) 0.055(4) -0.026(3) 0.053(4) -0.042(4)
C2 0.186(10) 0.063(5) 0.076(5) -0.012(4) 0.042(6) -0.049(6)
C3 0.149(8) 0.067(5) 0.045(4) 0.003(3) 0.018(4) -0.028(5)
C4 0.047(3) 0.048(3) 0.032(2) 0.007(2) 0.007(2) -0.010(2)
C5 0.067(4) 0.048(3) 0.042(3) 0.000(2) 0.012(3) -0.003(3)
C6 0.074(4) 0.041(3) 0.044(3) -0.001(2) 0.016(3) -0.003(3)
C7 0.049(3) 0.039(3) 0.042(3) -0.002(2) 0.008(2) -0.003(2)
C8 0.077(4) 0.071(4) 0.034(3) 0.002(3) 0.006(3) -0.008(3)
C9 0.068(4) 0.074(5) 0.057(4) -0.025(3) 0.002(3) -0.020(3)
C10 0.061(4) 0.051(4) 0.063(4) -0.016(3) 0.010(3) -0.013(3)
C11 0.054(3) 0.037(3) 0.054(3) -0.003(2) 0.004(3) -0.005(2)
C12 0.043(3) 0.033(2) 0.034(2) -0.002(2) 0.004(2) -0.001(2)
C13 0.055(3) 0.055(3) 0.040(3) 0.011(3) 0.000(3) -0.011(3)
C14 0.053(3) 0.047(3) 0.047(3) -0.006(2) 0.011(3) -0.012(3)
C15 0.040(3) 0.039(3) 0.043(3) 0.006(2) -0.002(2) -0.007(2)
C16 0.056(3) 0.039(3) 0.050(3) -0.002(2) 0.004(3) -0.021(3)
N1 0.093(4) 0.061(3) 0.055(3) -0.005(3) 0.026(3) -0.011(3)
N2 0.055(3) 0.041(2) 0.039(2) 0.0062(19) 0.010(2) 0.001(2)
N3 0.072(3) 0.048(3) 0.040(3) 0.001(2) 0.004(2) 0.003(2)
N4 0.066(4) 0.077(4) 0.053(3) 0.020(3) 0.000(3) -0.026(3)
O1 0.093(3) 0.039(2) 0.055(3) -0.0014(18) 0.001(2) 0.002(2)
O2 0.113(4) 0.071(3) 0.046(2) -0.015(2) -0.002(3) -0.006(3)
O3 0.127(5) 0.063(3) 0.060(3) 0.020(2) -0.002(3) 0.016(3)
O4 0.124(5) 0.064(4) 0.174(6) -0.029(4) 0.082(5) -0.015(4)
O4A 0.113(8) 0.068(8) 0.158(9) -0.021(8) 0.064(8) -0.014(8)
O5 0.102(5) 0.064(4) 0.147(6) -0.012(4) 0.045(4) -0.013(3)
O5A 0.105(8) 0.063(8) 0.154(9) -0.014(8) 0.068(8) -0.019(7)
O6 0.100(4) 0.123(5) 0.115(5) 0.055(4) 0.006(4) -0.051(4)

_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 S1 2.9227(16) . y
Ag1 C10 2.685(6) 3_656 y
Ag1 N1 2.419(5) . y
Ag1 N2 2.359(4) . y
Ag1 O1 2.460(4) 2_656 y
Ag2 S1 2.4700(13) . y
Ag2 O1 2.466(4) . y
Ag2 O4 2.384(7) . y
Ag2 O5 2.500(7) . y
S1 C12 1.773(5) . ?
S1 C13 1.842(6) . ?
C1 H1 0.9300 . ?
C1 C2 1.423(10) . ?
C1 N1 1.236(8) . ?
C2 H2 0.9300 . ?
C2 C3 1.342(11) . ?
C3 H3 0.9300 . ?
C3 C4 1.432(9) . ?
C4 H4 0.9300 . ?
C4 C5 1.406(7) . ?
C5 C6 1.458(8) . ?
C5 N1 1.340(8) . ?
C6 H6 0.9300 . ?
C6 N2 1.278(7) . ?
C7 C8 1.410(8) . ?
C7 C12 1.395(7) . ?
C7 N2 1.405(7) . ?
C8 H8 0.9300 . ?
C8 C9 1.347(9) . ?
C9 Ag1A 2.664(12) 3_656 ?
C9 H9 0.9300 . ?
C9 C10 1.389(10) . ?
C10 Ag1 2.685(6) 3_656 ?
C10 Ag1A 2.469(12) 3_656 ?
C10 H10 0.9300 . ?
C10 C11 1.383(8) . ?
C11 H11 0.9300 . ?
C11 C12 1.398(7) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C15 1.504(7) . ?
C14 H14 0.9300 . ?
C14 C15 1.376(7) . ?
C14 C16 1.383(8) 3_756 ?
C15 C16 1.379(8) . ?
C16 C14 1.383(8) 3_756 ?
C16 H16 0.9300 . ?
N3 O1 1.249(6) . ?
N3 O2 1.229(6) . ?
N3 O3 1.228(6) . ?
N4 O4 1.198(6) . ?
N4 O4A 1.250(10) . ?
N4 O5 1.253(6) . ?
N4 O5A 1.253(10) . ?
N4 O6 1.223(6) . ?
O1 Ag1 2.460(4) 2_646 ?
O1 Ag1A 2.182(10) 2_646 ?
O4 O4A 1.17(6) . ?
O4 O5A 1.39(5) . ?
O4A O5 1.61(5) . ?
O5 O5A 1.60(5) . ?

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
C10 Ag1 S1 100.23(15) 3_656 . y
N1 Ag1 S1 132.04(15) . . y
N1 Ag1 C10 115.1(2) . 3_656 y
N1 Ag1 O1 115.91(18) . 2_656 y
N2 Ag1 S1 68.85(11) . . y
N2 Ag1 C10 108.51(17) . 3_656 y
N2 Ag1 N1 69.79(17) . . y
N2 Ag1 O1 155.28(16) . 2_656 y
O1 Ag1 S1 93.51(10) 2_656 . y
O1 Ag1 C10 91.12(17) 2_656 3_656 y
S1 Ag2 O5 136.16(19) . . y
O1 Ag2 S1 121.27(11) . . y
O1 Ag2 O5 84.2(2) . . y
O4 Ag2 S1 140.5(2) . . y
O4 Ag2 O1 96.8(2) . . y
O4 Ag2 O5 50.78(19) . . y
Ag1A S1 Ag1 11.19(19) . . ?
Ag2 S1 Ag1 140.97(6) . . ?
Ag2 S1 Ag1A 129.8(2) . . ?
C12 S1 Ag1 96.53(17) . . ?
C12 S1 Ag1A 104.0(3) . . ?
C12 S1 Ag2 108.48(17) . . ?
C12 S1 C13 103.9(3) . . ?
C13 S1 Ag1 105.51(19) . . ?
C13 S1 Ag1A 111.0(3) . . ?
C13 S1 Ag2 97.16(18) . . ?
C2 C1 H1 117.8 . . ?
N1 C1 H1 117.8 . . ?
N1 C1 C2 124.4(6) . . ?
C1 C2 H2 121.5 . . ?
C3 C2 C1 116.9(7) . . ?
C3 C2 H2 121.5 . . ?
C2 C3 H3 119.2 . . ?
C2 C3 C4 121.6(7) . . ?
C4 C3 H3 119.2 . . ?
C3 C4 H4 123.6 . . ?
C5 C4 C3 112.9(6) . . ?
C5 C4 H4 123.6 . . ?
C4 C5 C6 116.6(5) . . ?
N1 C5 C4 125.0(6) . . ?
N1 C5 C6 118.3(5) . . ?
C5 C6 H6 120.0 . . ?
N2 C6 C5 119.9(5) . . ?
N2 C6 H6 120.0 . . ?
C12 C7 C8 118.3(5) . . ?
C12 C7 N2 119.7(5) . . ?
N2 C7 C8 121.9(5) . . ?
C7 C8 H8 119.0 . . ?
C9 C8 C7 122.0(6) . . ?
C9 C8 H8 119.0 . . ?
Ag1A C9 H9 94.4 3_656 . ?
C8 C9 Ag1A 108.7(5) . 3_656 ?
C8 C9 H9 120.0 . . ?
C8 C9 C10 120.0(6) . . ?
C10 C9 Ag1A 66.7(4) . 3_656 ?
C10 C9 H9 120.0 . . ?
Ag1 C10 H10 80.9 3_656 . ?
Ag1A C10 Ag1 12.9(2) 3_656 3_656 ?
Ag1A C10 H10 86.7 3_656 . ?
C9 C10 Ag1 95.1(4) . 3_656 ?
C9 C10 Ag1A 82.2(5) . 3_656 ?
C9 C10 H10 120.1 . . ?
C11 C10 Ag1 94.0(4) . 3_656 ?
C11 C10 Ag1A 101.2(5) . 3_656 ?
C11 C10 C9 119.7(6) . . ?
C11 C10 H10 120.1 . . ?
C10 C11 H11 119.7 . . ?
C10 C11 C12 120.7(6) . . ?
C12 C11 H11 119.7 . . ?
C7 C12 S1 121.1(4) . . ?
C7 C12 C11 119.3(5) . . ?
C11 C12 S1 119.6(4) . . ?
S1 C13 H13A 108.7 . . ?
S1 C13 H13B 108.7 . . ?
H13A C13 H13B 107.6 . . ?
C15 C13 S1 114.0(4) . . ?
C15 C13 H13A 108.7 . . ?
C15 C13 H13B 108.7 . . ?
C15 C14 H14 119.4 . . ?
C15 C14 C16 121.2(5) . 3_756 ?
C16 C14 H14 119.4 3_756 . ?
C14 C15 C13 121.2(5) . . ?
C14 C15 C16 118.3(5) . . ?
C16 C15 C13 120.6(5) . . ?
C14 C16 H16 119.7 3_756 . ?
C15 C16 C14 120.5(5) . 3_756 ?
C15 C16 H16 119.7 . . ?
C1 N1 Ag1 127.3(4) . . ?
C1 N1 C5 118.6(6) . . ?
C5 N1 Ag1 113.7(4) . . ?
C6 N2 Ag1 117.0(4) . . ?
C6 N2 C7 118.2(5) . . ?
C7 N2 Ag1 124.6(3) . . ?
O2 N3 O1 118.8(5) . . ?
O3 N3 O1 120.8(5) . . ?
O3 N3 O2 120.4(5) . . ?
O4 N4 O4A 57(3) . . ?
O4 N4 O5 117.6(6) . . ?
O4 N4 O5A 69(3) . . ?
O4 N4 O6 118.2(7) . . ?
O4A N4 O5 80(3) . . ?
O4A N4 O5A 102(4) . . ?
O5A N4 O5 80(3) . . ?
O6 N4 O4A 128(3) . . ?
O6 N4 O5 123.9(7) . . ?
O6 N4 O5A 126(3) . . ?
Ag1 O1 Ag2 150.95(19) 2_646 . ?
Ag1A O1 Ag1 13.7(2) 2_646 2_646 ?
Ag1A O1 Ag2 141.1(3) 2_646 . ?
N3 O1 Ag1 105.4(3) . 2_646 ?
N3 O1 Ag1A 114.1(4) . 2_646 ?
N3 O1 Ag2 103.6(3) . . ?
N4 O4 Ag2 99.4(5) . . ?
N4 O4 O5A 57.4(15) . . ?
O4A O4 Ag2 63(3) . . ?
O4A O4 N4 63.7(17) . . ?
O4A O4 O5A 98(3) . . ?
O5A O4 Ag2 76(2) . . ?
N4 O4A Ag2 112(4) . . ?
N4 O4A O5 50.0(15) . . ?
O4 O4A Ag2 88(4) . . ?
O4 O4A N4 59.2(15) . . ?
O4 O4A O5 97(2) . . ?
O5 O4A Ag2 83(3) . . ?
N4 O5 Ag2 92.2(4) . . ?
N4 O5 O4A 49.9(15) . . ?
N4 O5 O5A 50.2(14) . . ?
O4A O5 Ag2 57(2) . . ?
O5A O5 Ag2 70(2) . . ?
O5A O5 O4A 74(3) . . ?
N4 O5A Ag2 94(3) . . ?
N4 O5A O4 53.7(14) . . ?
N4 O5A O5 50.2(14) . . ?
O4 O5A Ag2 70(2) . . ?
O4 O5A O5 88.8(17) . . ?
O5 O5A Ag2 72(2) . . ?

data_p2
_database_code_depnum_ccdc_archive 'CCDC 888435'
#TrackingRef '- p1-2.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H26 Cd2 N8 O12 S2'
_chemical_formula_weight         1003.53
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'
Cd Cd -0.8075 1.2024 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   Fdd2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x+1/4, y+1/4, z+1/4'
'x+1/4, -y+1/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x+1/4, y+3/4, z+3/4'
'x+1/4, -y+3/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'-x+3/4, y+1/4, z+3/4'
'x+3/4, -y+1/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+3/4, y+3/4, z+1/4'
'x+3/4, -y+3/4, z+1/4'

_cell_length_a                   35.5141(11)
_cell_length_b                   37.5405(12)
_cell_length_c                   10.7672(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     14355.0(8)
_cell_formula_units_Z            16
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?
_exptl_crystal_description       ?
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.857
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             7968
_exptl_absorpt_coefficient_mu    1.377
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8522
_exptl_absorpt_correction_T_max  0.8978
_exptl_absorpt_process_details   sadabs
_exptl_special_details           
;
?
;
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            15155
_diffrn_reflns_av_R_equivalents  0.0216
_diffrn_reflns_av_sigmaI/netI    0.0236
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         2.05
_diffrn_reflns_theta_max         23.26
_reflns_number_total             4519
_reflns_number_gt                4373
_reflns_threshold_expression     >2sigma(I)
_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0152P)^2^+20.7014P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.006(14)
_refine_ls_number_reflns         4519
_refine_ls_number_parameters     505
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0179
_refine_ls_R_factor_gt           0.0166
_refine_ls_wR_factor_ref         0.0365
_refine_ls_wR_factor_gt          0.0359
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_restrained_S_all      1.015
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd 0.343046(6) 0.608961(6) -0.06915(2) 0.02425(7) Uani 1 1 d . . .
Cd2 Cd 0.344347(6) 0.574914(6) 0.49115(2) 0.02318(7) Uani 1 1 d . . .
S1 S 0.29471(2) 0.53044(2) 0.37371(8) 0.02333(19) Uani 1 1 d . . .
S2 S 0.46771(2) 0.39283(2) 0.31043(9) 0.0275(2) Uani 1 1 d . . .
C1 C 0.43361(9) 0.59081(9) 0.5510(4) 0.0317(9) Uani 1 1 d . . .
H1 H 0.4282 0.6128 0.5158 0.038 Uiso 1 1 calc R . .
C2 C 0.46931(10) 0.58491(11) 0.5952(4) 0.0372(9) Uani 1 1 d . . .
H2 H 0.4874 0.6028 0.5917 0.045 Uiso 1 1 calc R . .
C3 C 0.47771(9) 0.55252(11) 0.6441(4) 0.0399(10) Uani 1 1 d . . .
H3 H 0.5018 0.5478 0.6735 0.048 Uiso 1 1 calc R . .
C4 C 0.45012(9) 0.52666(10) 0.6496(3) 0.0330(9) Uani 1 1 d . . .
H4 H 0.4553 0.5043 0.6829 0.040 Uiso 1 1 calc R . .
C5 C 0.41460(9) 0.53452(9) 0.6049(3) 0.0232(8) Uani 1 1 d . . .
C6 C 0.38414(9) 0.50807(9) 0.6094(3) 0.0251(8) Uani 1 1 d . . .
H6 H 0.3889 0.4852 0.6388 0.030 Uiso 1 1 calc R . .
C7 C 0.32055(9) 0.49283(8) 0.5778(3) 0.0226(8) Uani 1 1 d . . .
C8 C 0.31790(10) 0.46560(8) 0.6650(3) 0.0307(9) Uani 1 1 d . . .
H8 H 0.3372 0.4620 0.7219 0.037 Uiso 1 1 calc R . .
C9 C 0.28621(10) 0.44386(9) 0.6666(4) 0.0369(9) Uani 1 1 d . . .
H9 H 0.2844 0.4257 0.7249 0.044 Uiso 1 1 calc R . .
C10 C 0.25752(10) 0.44903(9) 0.5828(4) 0.0341(9) Uani 1 1 d . . .
H10 H 0.2365 0.4342 0.5845 0.041 Uiso 1 1 calc R . .
C11 C 0.25967(9) 0.47584(8) 0.4970(4) 0.0296(8) Uani 1 1 d . . .
H11 H 0.2400 0.4793 0.4412 0.036 Uiso 1 1 calc R . .
C12 C 0.29107(8) 0.49786(8) 0.4930(3) 0.0225(7) Uani 1 1 d . . .
C13 C 0.31580(9) 0.50315(9) 0.2485(4) 0.0287(8) Uani 1 1 d . . .
H13A H 0.2973 0.4859 0.2206 0.034 Uiso 1 1 calc R . .
H13B H 0.3216 0.5185 0.1787 0.034 Uiso 1 1 calc R . .
C14 C 0.35088(9) 0.48374(9) 0.2862(3) 0.0242(8) Uani 1 1 d . . .
C15 C 0.38645(10) 0.49804(9) 0.2658(3) 0.0278(9) Uani 1 1 d . . .
H15 H 0.3887 0.5197 0.2247 0.033 Uiso 1 1 calc R . .
C16 C 0.41856(10) 0.48043(9) 0.3059(3) 0.0283(8) Uani 1 1 d . . .
H16 H 0.4421 0.4903 0.2908 0.034 Uiso 1 1 calc R . .
C17 C 0.41591(9) 0.44817(9) 0.3684(3) 0.0255(8) Uani 1 1 d . . .
C18 C 0.34833(9) 0.45099(9) 0.3458(4) 0.0282(9) Uani 1 1 d . . .
H18 H 0.3249 0.4405 0.3578 0.034 Uiso 1 1 calc R . .
C19 C 0.38050(10) 0.43384(9) 0.3876(3) 0.0295(9) Uani 1 1 d . . .
H19 H 0.3782 0.4123 0.4294 0.035 Uiso 1 1 calc R . .
C20 C 0.45055(10) 0.42888(9) 0.4126(3) 0.0330(9) Uani 1 1 d . . .
H20A H 0.4453 0.4188 0.4938 0.040 Uiso 1 1 calc R . .
H20B H 0.4706 0.4462 0.4228 0.040 Uiso 1 1 calc R . .
C21 C 0.48496(9) 0.41795(8) 0.1834(3) 0.0240(8) Uani 1 1 d . . .
C22 C 0.52279(9) 0.42848(9) 0.1821(4) 0.0320(9) Uani 1 1 d . . .
H22 H 0.5385 0.4226 0.2482 0.038 Uiso 1 1 calc R . .
C23 C 0.53673(10) 0.44741(10) 0.0840(4) 0.0353(9) Uani 1 1 d . . .
H23 H 0.5617 0.4548 0.0846 0.042 Uiso 1 1 calc R . .
C24 C 0.51407(9) 0.45558(9) -0.0157(4) 0.0346(9) Uani 1 1 d . . .
H24 H 0.5240 0.4681 -0.0828 0.041 Uiso 1 1 calc R . .
C25 C 0.47671(9) 0.44532(8) -0.0166(4) 0.0326(8) Uani 1 1 d . . .
H25 H 0.4615 0.4510 -0.0840 0.039 Uiso 1 1 calc R . .
C26 C 0.46197(9) 0.42652(8) 0.0835(4) 0.0246(9) Uani 1 1 d . . .
C27 C 0.39725(9) 0.43194(9) 0.0390(3) 0.0262(8) Uani 1 1 d . . .
H27 H 0.4021 0.4532 -0.0024 0.031 Uiso 1 1 calc R . .
C28 C 0.35846(9) 0.41861(8) 0.0495(3) 0.0231(8) Uani 1 1 d . . .
C29 C 0.32867(9) 0.43783(9) 0.0000(4) 0.0303(8) Uani 1 1 d . . .
H29 H 0.3328 0.4590 -0.0428 0.036 Uiso 1 1 calc R . .
C30 C 0.29274(9) 0.42477(10) 0.0158(4) 0.0367(10) Uani 1 1 d . . .
H30 H 0.2723 0.4369 -0.0175 0.044 Uiso 1 1 calc R . .
C31 C 0.28731(9) 0.39389(10) 0.0806(4) 0.0354(10) Uani 1 1 d . . .
H31 H 0.2632 0.3849 0.0928 0.043 Uiso 1 1 calc R . .
C32 C 0.31849(9) 0.37607(9) 0.1282(4) 0.0310(9) Uani 1 1 d . . .
H32 H 0.3148 0.3551 0.1727 0.037 Uiso 1 1 calc R . .
N1 N 0.40637(7) 0.56656(7) 0.5560(3) 0.0252(7) Uani 1 1 d . . .
N2 N 0.35128(7) 0.51657(7) 0.5729(3) 0.0219(6) Uani 1 1 d . . .
N3 N 0.42410(7) 0.41418(7) 0.0871(3) 0.0218(6) Uani 1 1 d . . .
N4 N 0.35344(7) 0.38814(7) 0.1117(3) 0.0242(6) Uani 1 1 d . . .
N5 N 0.33103(8) 0.65034(7) 0.4796(3) 0.0298(7) Uani 1 1 d . . .
N6 N 0.36138(8) 0.59135(8) 0.2083(3) 0.0305(7) Uani 1 1 d . . .
N7 N 0.36889(9) 0.53455(8) -0.0911(3) 0.0340(8) Uani 1 1 d . . .
N8 N 0.29811(8) 0.58031(7) -0.2727(3) 0.0333(7) Uani 1 1 d . . .
O1 O 0.32214(7) 0.68209(6) 0.4688(3) 0.0374(7) Uani 1 1 d . . .
O2 O 0.36347(7) 0.64114(7) 0.5092(3) 0.0456(7) Uani 1 1 d . . .
O3 O 0.30728(7) 0.62619(6) 0.4593(3) 0.0412(7) Uani 1 1 d . . .
O4 O 0.32660(7) 0.59059(9) 0.2082(3) 0.0569(8) Uani 1 1 d . . .
O5 O 0.37908(7) 0.59867(7) 0.1118(3) 0.0399(7) Uani 1 1 d . . .
O6 O 0.37934(7) 0.58468(7) 0.3055(2) 0.0389(7) Uani 1 1 d . . .
O7 O 0.38866(8) 0.55965(7) -0.1261(3) 0.0484(7) Uani 1 1 d . . .
O8 O 0.33756(9) 0.54310(10) -0.0445(3) 0.0745(11) Uani 1 1 d . . .
O9 O 0.37953(11) 0.50427(7) -0.1057(3) 0.0797(12) Uani 1 1 d . . .
O10 O 0.28376(8) 0.58777(7) -0.1711(3) 0.0488(8) Uani 1 1 d . . .
O11 O 0.33162(6) 0.59078(7) -0.2925(3) 0.0392(6) Uani 1 1 d . . .
O12 O 0.28145(7) 0.56359(7) -0.3531(3) 0.0551(9) Uani 1 1 d . . .

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
Cd1 0.02353(13) 0.02138(13) 0.02784(15) 0.00270(11) 0.00224(12) -0.00378(10)
Cd2 0.02016(13) 0.02130(13) 0.02807(15) 0.00018(11) -0.00187(12) 0.00145(10)
S1 0.0212(4) 0.0241(4) 0.0247(5) -0.0027(4) -0.0020(4) 0.0045(3)
S2 0.0249(5) 0.0293(5) 0.0283(5) 0.0045(4) 0.0014(4) 0.0087(4)
C1 0.026(2) 0.030(2) 0.039(2) -0.0023(18) 0.0045(18) -0.0013(15)
C2 0.024(2) 0.050(2) 0.037(2) -0.0151(19) 0.0009(18) -0.0053(17)
C3 0.0183(18) 0.065(3) 0.036(3) 0.000(2) -0.0054(17) 0.0032(19)
C4 0.0284(19) 0.043(2) 0.028(2) 0.0054(17) -0.0016(17) 0.0091(17)
C5 0.0193(17) 0.034(2) 0.0160(19) -0.0046(16) 0.0022(15) 0.0069(15)
C6 0.031(2) 0.0243(18) 0.020(2) 0.0021(16) -0.0003(17) 0.0041(15)
C7 0.0242(19) 0.0194(17) 0.024(2) -0.0041(15) 0.0052(16) -0.0003(14)
C8 0.036(2) 0.030(2) 0.025(2) 0.0032(17) -0.0007(18) 0.0025(16)
C9 0.049(2) 0.0270(19) 0.034(2) 0.0050(17) 0.016(2) -0.0062(17)
C10 0.033(2) 0.027(2) 0.042(3) -0.0052(17) 0.0079(19) -0.0079(16)
C11 0.0236(18) 0.0277(18) 0.038(2) -0.0124(18) 0.0009(17) 0.0013(14)
C12 0.0230(17) 0.0195(16) 0.0251(19) -0.0040(16) 0.0037(16) 0.0041(13)
C13 0.034(2) 0.0305(19) 0.0215(19) -0.0071(17) -0.0021(18) 0.0089(15)
C14 0.0277(19) 0.0236(19) 0.021(2) -0.0043(15) 0.0035(16) 0.0064(15)
C15 0.037(2) 0.0215(18) 0.025(2) 0.0009(15) 0.0073(17) 0.0079(15)
C16 0.0263(19) 0.0281(19) 0.031(2) -0.0044(17) 0.0077(17) 0.0004(15)
C17 0.0274(19) 0.032(2) 0.017(2) -0.0071(16) 0.0022(16) 0.0073(15)
C18 0.026(2) 0.028(2) 0.031(2) -0.0076(16) 0.0060(16) 0.0012(15)
C19 0.040(2) 0.0193(18) 0.029(2) 0.0013(16) 0.0085(18) 0.0077(16)
C20 0.037(2) 0.039(2) 0.023(2) 0.0017(17) 0.0025(18) 0.0082(16)
C21 0.0223(17) 0.0231(18) 0.027(2) -0.0035(16) 0.0059(16) 0.0054(13)
C22 0.028(2) 0.037(2) 0.031(2) -0.0094(18) -0.0010(18) 0.0032(15)
C23 0.0243(19) 0.044(2) 0.038(3) -0.0111(18) 0.0068(18) -0.0065(16)
C24 0.037(2) 0.038(2) 0.029(2) -0.0035(18) 0.0074(19) -0.0103(16)
C25 0.038(2) 0.0321(19) 0.027(2) 0.0015(17) -0.0019(18) -0.0001(16)
C26 0.0253(19) 0.0202(18) 0.028(2) -0.0053(15) -0.0018(17) 0.0013(14)
C27 0.030(2) 0.0205(18) 0.028(2) 0.0025(15) -0.0023(17) 0.0031(15)
C28 0.0267(19) 0.0247(19) 0.0179(18) -0.0021(16) -0.0022(16) 0.0047(15)
C29 0.033(2) 0.0314(19) 0.026(2) 0.0053(17) 0.0002(18) 0.0113(15)
C30 0.0246(19) 0.049(2) 0.037(3) 0.0050(19) -0.0043(18) 0.0130(17)
C31 0.0189(19) 0.041(2) 0.046(3) -0.0033(19) 0.0013(17) 0.0019(16)
C32 0.0247(19) 0.0263(19) 0.042(2) -0.0032(17) 0.0031(18) 0.0002(15)
N1 0.0190(15) 0.0303(17) 0.0262(18) 0.0002(14) 0.0003(13) 0.0016(13)
N2 0.0216(16) 0.0223(15) 0.0218(17) -0.0015(12) 0.0006(13) 0.0036(12)
N3 0.0200(15) 0.0233(15) 0.0222(17) 0.0000(12) -0.0014(13) -0.0007(12)
N4 0.0230(15) 0.0236(16) 0.0260(17) 0.0001(13) -0.0035(13) 0.0048(12)
N5 0.0304(16) 0.0321(18) 0.0270(19) 0.0001(15) 0.0032(15) 0.0028(14)
N6 0.0394(17) 0.0213(14) 0.031(2) 0.0013(12) 0.0029(19) 0.0053(15)
N7 0.0433(19) 0.0303(19) 0.028(2) 0.0018(14) -0.0082(16) -0.0031(16)
N8 0.0378(18) 0.0276(16) 0.034(2) -0.0080(16) -0.0064(17) 0.0113(13)
O1 0.0488(16) 0.0234(13) 0.0399(18) 0.0017(12) 0.0056(13) 0.0096(11)
O2 0.0308(15) 0.0454(16) 0.061(2) 0.0084(15) -0.0020(15) 0.0066(12)
O3 0.0412(15) 0.0294(14) 0.053(2) -0.0024(13) -0.0138(13) -0.0006(12)
O4 0.0387(15) 0.0654(18) 0.067(2) 0.0277(15) -0.0038(18) 0.0031(16)
O5 0.0471(17) 0.0451(16) 0.0274(17) 0.0042(14) 0.0048(14) 0.0050(13)
O6 0.0427(17) 0.0524(17) 0.0217(16) 0.0043(13) -0.0049(14) -0.0058(13)
O7 0.0631(19) 0.0317(15) 0.0504(19) -0.0019(14) 0.0045(16) -0.0130(14)
O8 0.0490(19) 0.114(3) 0.061(3) -0.003(2) 0.0121(18) -0.0263(19)
O9 0.150(3) 0.0214(17) 0.068(3) 0.0031(15) -0.032(2) 0.0133(18)
O10 0.0590(18) 0.0427(16) 0.045(2) -0.0175(14) 0.0234(16) -0.0141(13)
O11 0.0411(14) 0.0378(13) 0.0388(16) -0.0058(11) 0.0111(16) -0.0040(15)
O12 0.0484(17) 0.0519(17) 0.065(2) -0.0362(17) -0.0289(16) 0.0180(14)

_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
Cd1 N4 2.316(3) 11_554 y
Cd1 O5 2.363(3) . y
Cd1 N3 2.384(3) 11_554 y
Cd1 O8 2.494(4) . y
Cd1 O10 2.504(3) . y
Cd1 O11 2.532(3) . y
Cd1 O7 2.535(3) . y
Cd1 S2 2.8669(10) 11_554 y
Cd2 N1 2.332(3) . y
Cd2 O3 2.357(2) . y
Cd2 N2 2.373(3) . y
Cd2 O6 2.382(3) . y
Cd2 O11 2.447(3) 1_556 y
Cd2 O2 2.585(3) . y
Cd2 S1 2.7374(8) . y
S1 C12 1.778(4) . ?
S1 C13 1.852(3) . ?
S2 C21 1.771(4) . ?
S2 C20 1.847(3) . ?
S2 Cd1 2.8669(10) 15_545 ?
C1 N1 1.329(4) . ?
C1 C2 1.372(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.358(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.381(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.382(5) . ?
C4 H4 0.9300 . ?
C5 N1 1.345(4) . ?
C5 C6 1.469(5) . ?
C6 N2 1.272(4) . ?
C6 H6 0.9300 . ?
C7 C8 1.391(5) . ?
C7 C12 1.402(5) . ?
C7 N2 1.410(4) . ?
C8 C9 1.390(5) . ?
C8 H8 0.9300 . ?
C9 C10 1.375(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.368(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.389(4) . ?
C11 H11 0.9300 . ?
C13 C14 1.499(4) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C18 1.390(5) . ?
C14 C15 1.390(5) . ?
C15 C16 1.387(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.389(5) . ?
C16 H16 0.9300 . ?
C17 C19 1.383(5) . ?
C17 C20 1.505(5) . ?
C18 C19 1.387(5) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C26 1.388(5) . ?
C21 C22 1.401(4) . ?
C22 C23 1.366(5) . ?
C22 H22 0.9300 . ?
C23 C24 1.376(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.382(5) . ?
C24 H24 0.9300 . ?
C25 C26 1.390(5) . ?
C25 H25 0.9300 . ?
C26 N3 1.423(4) . ?
C27 N3 1.273(4) . ?
C27 C28 1.470(5) . ?
C27 H27 0.9300 . ?
C28 N4 1.337(4) . ?
C28 C29 1.387(5) . ?
C29 C30 1.378(5) . ?
C29 H29 0.9300 . ?
C30 C31 1.367(5) . ?
C30 H30 0.9300 . ?
C31 C32 1.391(5) . ?
C31 H31 0.9300 . ?
C32 N4 1.333(4) . ?
C32 H32 0.9300 . ?
N3 Cd1 2.384(3) 15_545 ?
N4 Cd1 2.316(3) 15_545 ?
N5 O1 1.238(3) . ?
N5 O2 1.245(4) . ?
N5 O3 1.257(4) . ?
N6 O4 1.235(3) . ?
N6 O5 1.245(4) . ?
N6 O6 1.252(4) . ?
N7 O9 1.208(4) . ?
N7 O7 1.234(4) . ?
N7 O8 1.262(4) . ?
N8 O12 1.223(4) . ?
N8 O10 1.239(4) . ?
N8 O11 1.271(4) . ?
O11 Cd2 2.447(3) 1_554 ?

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
N4 Cd1 O5 84.14(10) 11_554 . y
N4 Cd1 N3 70.27(9) 11_554 11_554 y
O5 Cd1 N3 129.00(9) . 11_554 y
N4 Cd1 O8 124.54(10) 11_554 . y
O5 Cd1 O8 78.04(10) . . y
N3 Cd1 O8 152.46(10) 11_554 . y
N4 Cd1 O10 134.36(10) 11_554 . y
O5 Cd1 O10 139.90(9) . . y
N3 Cd1 O10 82.88(9) 11_554 . y
O8 Cd1 O10 70.48(10) . . y
N4 Cd1 O11 87.34(9) 11_554 . y
O5 Cd1 O11 145.66(9) . . y
N3 Cd1 O11 77.97(9) 11_554 . y
O8 Cd1 O11 79.70(10) . . y
O10 Cd1 O11 50.46(8) . . y
N4 Cd1 O7 75.12(9) 11_554 . y
O5 Cd1 O7 74.58(9) . . y
N3 Cd1 O7 134.07(9) 11_554 . y
O8 Cd1 O7 49.60(10) . . y
O10 Cd1 O7 101.49(9) . . y
O11 Cd1 O7 71.09(9) . . y
N4 Cd1 S2 124.34(7) 11_554 11_554 y
O5 Cd1 S2 94.52(7) . 11_554 y
N3 Cd1 S2 68.18(7) 11_554 11_554 y
O8 Cd1 S2 109.22(8) . 11_554 y
O10 Cd1 S2 73.83(6) . 11_554 y
O11 Cd1 S2 117.46(6) . 11_554 y
O7 Cd1 S2 157.30(7) . 11_554 y
N1 Cd2 O3 132.91(9) . . y
N1 Cd2 N2 70.54(9) . . y
O3 Cd2 N2 149.94(9) . . y
N1 Cd2 O6 77.23(10) . . y
O3 Cd2 O6 92.51(10) . . y
N2 Cd2 O6 113.53(9) . . y
N1 Cd2 O11 85.53(9) . 1_556 y
O3 Cd2 O11 80.58(10) . 1_556 y
N2 Cd2 O11 83.72(10) . 1_556 y
O6 Cd2 O11 149.07(9) . 1_556 y
N1 Cd2 O2 81.87(9) . . y
O3 Cd2 O2 51.11(8) . . y
N2 Cd2 O2 146.35(10) . . y
O6 Cd2 O2 77.18(10) . . y
O11 Cd2 O2 75.08(10) 1_556 . y
N1 Cd2 S1 131.65(7) . . y
O3 Cd2 S1 94.09(6) . . y
N2 Cd2 S1 71.05(7) . . y
O6 Cd2 S1 92.43(7) . . y
O11 Cd2 S1 117.99(6) 1_556 . y
O2 Cd2 S1 142.25(7) . . y
C12 S1 C13 100.06(16) . . ?
C12 S1 Cd2 97.63(11) . . ?
C13 S1 Cd2 114.41(11) . . ?
C21 S2 C20 100.61(16) . . ?
C21 S2 Cd1 96.92(12) . 15_545 ?
C20 S2 Cd1 111.50(12) . 15_545 ?
N1 C1 C2 123.2(3) . . ?
N1 C1 H1 118.4 . . ?
C2 C1 H1 118.4 . . ?
C3 C2 C1 118.8(3) . . ?
C3 C2 H2 120.6 . . ?
C1 C2 H2 120.6 . . ?
C2 C3 C4 119.4(3) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 H3 120.3 . . ?
C3 C4 C5 118.8(3) . . ?
C3 C4 H4 120.6 . . ?
C5 C4 H4 120.6 . . ?
N1 C5 C4 121.7(3) . . ?
N1 C5 C6 117.2(3) . . ?
C4 C5 C6 121.1(3) . . ?
N2 C6 C5 119.7(3) . . ?
N2 C6 H6 120.1 . . ?
C5 C6 H6 120.1 . . ?
C8 C7 C12 119.2(3) . . ?
C8 C7 N2 122.8(3) . . ?
C12 C7 N2 117.9(3) . . ?
C9 C8 C7 119.6(3) . . ?
C9 C8 H8 120.2 . . ?
C7 C8 H8 120.2 . . ?
C10 C9 C8 120.6(3) . . ?
C10 C9 H9 119.7 . . ?
C8 C9 H9 119.7 . . ?
C11 C10 C9 120.4(3) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C10 C11 C12 120.2(4) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C11 C12 C7 119.9(3) . . ?
C11 C12 S1 119.4(3) . . ?
C7 C12 S1 120.6(2) . . ?
C14 C13 S1 114.1(3) . . ?
C14 C13 H13A 108.7 . . ?
S1 C13 H13A 108.7 . . ?
C14 C13 H13B 108.7 . . ?
S1 C13 H13B 108.7 . . ?
H13A C13 H13B 107.6 . . ?
C18 C14 C15 118.3(3) . . ?
C18 C14 C13 120.1(3) . . ?
C15 C14 C13 121.6(3) . . ?
C16 C15 C14 120.9(3) . . ?
C16 C15 H15 119.5 . . ?
C14 C15 H15 119.5 . . ?
C15 C16 C17 120.7(3) . . ?
C15 C16 H16 119.6 . . ?
C17 C16 H16 119.6 . . ?
C19 C17 C16 118.3(3) . . ?
C19 C17 C20 120.6(3) . . ?
C16 C17 C20 121.2(3) . . ?
C19 C18 C14 120.5(3) . . ?
C19 C18 H18 119.8 . . ?
C14 C18 H18 119.8 . . ?
C17 C19 C18 121.3(3) . . ?
C17 C19 H19 119.3 . . ?
C18 C19 H19 119.3 . . ?
C17 C20 S2 115.7(3) . . ?
C17 C20 H20A 108.4 . . ?
S2 C20 H20A 108.4 . . ?
C17 C20 H20B 108.4 . . ?
S2 C20 H20B 108.4 . . ?
H20A C20 H20B 107.4 . . ?
C26 C21 C22 119.5(3) . . ?
C26 C21 S2 121.2(2) . . ?
C22 C21 S2 119.3(3) . . ?
C23 C22 C21 120.1(4) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C22 C23 C24 120.5(3) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C23 C24 C25 120.3(4) . . ?
C23 C24 H24 119.8 . . ?
C25 C24 H24 119.8 . . ?
C24 C25 C26 119.8(4) . . ?
C24 C25 H25 120.1 . . ?
C26 C25 H25 120.1 . . ?
C21 C26 C25 119.8(3) . . ?
C21 C26 N3 117.3(3) . . ?
C25 C26 N3 122.8(3) . . ?
N3 C27 C28 119.5(3) . . ?
N3 C27 H27 120.3 . . ?
C28 C27 H27 120.3 . . ?
N4 C28 C29 122.4(3) . . ?
N4 C28 C27 117.0(3) . . ?
C29 C28 C27 120.5(3) . . ?
C30 C29 C28 118.3(3) . . ?
C30 C29 H29 120.9 . . ?
C28 C29 H29 120.9 . . ?
C31 C30 C29 119.7(3) . . ?
C31 C30 H30 120.1 . . ?
C29 C30 H30 120.1 . . ?
C30 C31 C32 118.9(3) . . ?
C30 C31 H31 120.5 . . ?
C32 C31 H31 120.5 . . ?
N4 C32 C31 121.9(3) . . ?
N4 C32 H32 119.0 . . ?
C31 C32 H32 119.0 . . ?
C1 N1 C5 118.0(3) . . ?
C1 N1 Cd2 125.7(2) . . ?
C5 N1 Cd2 116.3(2) . . ?
C6 N2 C7 122.7(3) . . ?
C6 N2 Cd2 116.2(2) . . ?
C7 N2 Cd2 121.1(2) . . ?
C27 N3 C26 121.7(3) . . ?
C27 N3 Cd1 115.9(2) . 15_545 ?
C26 N3 Cd1 122.4(2) . 15_545 ?
C32 N4 C28 118.8(3) . . ?
C32 N4 Cd1 124.1(2) . 15_545 ?
C28 N4 Cd1 117.1(2) . 15_545 ?
O1 N5 O2 121.8(3) . . ?
O1 N5 O3 120.5(3) . . ?
O2 N5 O3 117.7(3) . . ?
O4 N6 O5 120.6(3) . . ?
O4 N6 O6 120.4(3) . . ?
O5 N6 O6 119.0(3) . . ?
O9 N7 O7 120.1(4) . . ?
O9 N7 O8 124.5(4) . . ?
O7 N7 O8 115.4(3) . . ?
O12 N8 O10 122.9(3) . . ?
O12 N8 O11 119.5(3) . . ?
O10 N8 O11 117.6(3) . . ?
N5 O2 Cd2 90.25(19) . . ?
N5 O3 Cd2 100.90(18) . . ?
N6 O5 Cd1 116.8(2) . . ?
N6 O6 Cd2 117.8(2) . . ?
N7 O7 Cd1 96.9(2) . . ?
N7 O8 Cd1 98.1(2) . . ?
N8 O10 Cd1 96.5(2) . . ?
N8 O11 Cd2 104.9(2) . 1_554 ?
N8 O11 Cd1 94.2(2) . . ?
Cd2 O11 Cd1 160.08(10) 1_554 . ?

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
N1 Cd2 S1 C12 63.68(14) . . . . ?
O3 Cd2 S1 C12 -128.60(12) . . . . ?
N2 Cd2 S1 C12 24.64(12) . . . . ?
O6 Cd2 S1 C12 138.71(12) . . . . ?
O11 Cd2 S1 C12 -47.10(13) 1_556 . . . ?
O2 Cd2 S1 C12 -149.23(15) . . . . ?
N1 Cd2 S1 C13 -41.05(17) . . . . ?
O3 Cd2 S1 C13 126.67(15) . . . . ?
N2 Cd2 S1 C13 -80.09(15) . . . . ?
O6 Cd2 S1 C13 33.98(15) . . . . ?
O11 Cd2 S1 C13 -151.83(15) 1_556 . . . ?
O2 Cd2 S1 C13 106.04(17) . . . . ?
N1 C1 C2 C3 1.6(6) . . . . ?
C1 C2 C3 C4 -0.9(6) . . . . ?
C2 C3 C4 C5 0.1(6) . . . . ?
C3 C4 C5 N1 0.2(5) . . . . ?
C3 C4 C5 C6 -179.5(3) . . . . ?
N1 C5 C6 N2 -3.0(5) . . . . ?
C4 C5 C6 N2 176.7(3) . . . . ?
C12 C7 C8 C9 0.1(5) . . . . ?
N2 C7 C8 C9 178.1(3) . . . . ?
C7 C8 C9 C10 0.0(5) . . . . ?
C8 C9 C10 C11 -0.4(5) . . . . ?
C9 C10 C11 C12 0.6(5) . . . . ?
C10 C11 C12 C7 -0.5(5) . . . . ?
C10 C11 C12 S1 175.6(3) . . . . ?
C8 C7 C12 C11 0.2(5) . . . . ?
N2 C7 C12 C11 -177.9(3) . . . . ?
C8 C7 C12 S1 -175.9(3) . . . . ?
N2 C7 C12 S1 6.0(4) . . . . ?
C13 S1 C12 C11 -85.5(3) . . . . ?
Cd2 S1 C12 C11 157.9(2) . . . . ?
C13 S1 C12 C7 90.6(3) . . . . ?
Cd2 S1 C12 C7 -26.0(3) . . . . ?
C12 S1 C13 C14 -53.0(3) . . . . ?
Cd2 S1 C13 C14 50.2(3) . . . . ?
S1 C13 C14 C18 84.4(4) . . . . ?
S1 C13 C14 C15 -94.1(4) . . . . ?
C18 C14 C15 C16 -1.2(5) . . . . ?
C13 C14 C15 C16 177.3(3) . . . . ?
C14 C15 C16 C17 -0.5(5) . . . . ?
C15 C16 C17 C19 1.1(5) . . . . ?
C15 C16 C17 C20 -179.8(3) . . . . ?
C15 C14 C18 C19 2.3(5) . . . . ?
C13 C14 C18 C19 -176.2(3) . . . . ?
C16 C17 C19 C18 0.1(5) . . . . ?
C20 C17 C19 C18 -179.0(3) . . . . ?
C14 C18 C19 C17 -1.8(5) . . . . ?
C19 C17 C20 S2 81.4(4) . . . . ?
C16 C17 C20 S2 -97.7(4) . . . . ?
C21 S2 C20 C17 70.3(3) . . . . ?
Cd1 S2 C20 C17 -31.5(3) 15_545 . . . ?
C20 S2 C21 C26 -90.1(3) . . . . ?
Cd1 S2 C21 C26 23.3(3) 15_545 . . . ?
C20 S2 C21 C22 91.7(3) . . . . ?
Cd1 S2 C21 C22 -154.8(2) 15_545 . . . ?
C26 C21 C22 C23 0.8(5) . . . . ?
S2 C21 C22 C23 179.0(3) . . . . ?
C21 C22 C23 C24 -1.6(5) . . . . ?
C22 C23 C24 C25 1.3(5) . . . . ?
C23 C24 C25 C26 -0.3(5) . . . . ?
C22 C21 C26 C25 0.2(5) . . . . ?
S2 C21 C26 C25 -178.0(2) . . . . ?
C22 C21 C26 N3 177.9(3) . . . . ?
S2 C21 C26 N3 -0.3(4) . . . . ?
C24 C25 C26 C21 -0.4(5) . . . . ?
C24 C25 C26 N3 -178.0(3) . . . . ?
N3 C27 C28 N4 0.9(5) . . . . ?
N3 C27 C28 C29 178.7(3) . . . . ?
N4 C28 C29 C30 -0.1(6) . . . . ?
C27 C28 C29 C30 -177.9(3) . . . . ?
C28 C29 C30 C31 1.0(6) . . . . ?
C29 C30 C31 C32 -0.7(6) . . . . ?
C30 C31 C32 N4 -0.4(6) . . . . ?
C2 C1 N1 C5 -1.3(5) . . . . ?
C2 C1 N1 Cd2 177.2(3) . . . . ?
C4 C5 N1 C1 0.4(5) . . . . ?
C6 C5 N1 C1 -179.9(3) . . . . ?
C4 C5 N1 Cd2 -178.3(3) . . . . ?
C6 C5 N1 Cd2 1.5(4) . . . . ?
O3 Cd2 N1 C1 -20.9(4) . . . . ?
N2 Cd2 N1 C1 -178.6(3) . . . . ?
O6 Cd2 N1 C1 60.5(3) . . . . ?
O11 Cd2 N1 C1 -93.7(3) 1_556 . . . ?
O2 Cd2 N1 C1 -18.1(3) . . . . ?
S1 Cd2 N1 C1 142.2(3) . . . . ?
O3 Cd2 N1 C5 157.6(2) . . . . ?
N2 Cd2 N1 C5 -0.1(2) . . . . ?
O6 Cd2 N1 C5 -121.0(2) . . . . ?
O11 Cd2 N1 C5 84.9(2) 1_556 . . . ?
O2 Cd2 N1 C5 160.4(3) . . . . ?
S1 Cd2 N1 C5 -39.2(3) . . . . ?
C5 C6 N2 C7 -178.3(3) . . . . ?
C5 C6 N2 Cd2 2.9(4) . . . . ?
C8 C7 N2 C6 28.2(5) . . . . ?
C12 C7 N2 C6 -153.8(3) . . . . ?
C8 C7 N2 Cd2 -153.0(3) . . . . ?
C12 C7 N2 Cd2 25.0(4) . . . . ?
N1 Cd2 N2 C6 -1.6(2) . . . . ?
O3 Cd2 N2 C6 -147.8(2) . . . . ?
O6 Cd2 N2 C6 64.3(3) . . . . ?
O11 Cd2 N2 C6 -89.0(3) 1_556 . . . ?
O2 Cd2 N2 C6 -38.3(3) . . . . ?
S1 Cd2 N2 C6 148.5(3) . . . . ?
N1 Cd2 N2 C7 179.6(3) . . . . ?
O3 Cd2 N2 C7 33.4(3) . . . . ?
O6 Cd2 N2 C7 -114.5(2) . . . . ?
O11 Cd2 N2 C7 92.2(2) 1_556 . . . ?
O2 Cd2 N2 C7 142.9(2) . . . . ?
S1 Cd2 N2 C7 -30.3(2) . . . . ?
C28 C27 N3 C26 -177.7(3) . . . . ?
C28 C27 N3 Cd1 2.9(4) . . . 15_545 ?
C21 C26 N3 C27 147.2(3) . . . . ?
C25 C26 N3 C27 -35.1(5) . . . . ?
C21 C26 N3 Cd1 -33.5(4) . . . 15_545 ?
C25 C26 N3 Cd1 144.1(3) . . . 15_545 ?
C31 C32 N4 C28 1.2(5) . . . . ?
C31 C32 N4 Cd1 -177.5(3) . . . 15_545 ?
C29 C28 N4 C32 -0.9(5) . . . . ?
C27 C28 N4 C32 176.9(3) . . . . ?
C29 C28 N4 Cd1 177.8(3) . . . 15_545 ?
C27 C28 N4 Cd1 -4.4(4) . . . 15_545 ?
O1 N5 O2 Cd2 -178.4(3) . . . . ?
O3 N5 O2 Cd2 0.9(3) . . . . ?
N1 Cd2 O2 N5 -177.9(2) . . . . ?
O3 Cd2 O2 N5 -0.56(19) . . . . ?
N2 Cd2 O2 N5 -143.2(2) . . . . ?
O6 Cd2 O2 N5 103.4(2) . . . . ?
O11 Cd2 O2 N5 -90.4(2) 1_556 . . . ?
S1 Cd2 O2 N5 26.3(3) . . . . ?
O1 N5 O3 Cd2 178.3(3) . . . . ?
O2 N5 O3 Cd2 -1.0(4) . . . . ?
N1 Cd2 O3 N5 4.1(3) . . . . ?
N2 Cd2 O3 N5 138.4(2) . . . . ?
O6 Cd2 O3 N5 -70.7(2) . . . . ?
O11 Cd2 O3 N5 78.9(2) 1_556 . . . ?
O2 Cd2 O3 N5 0.56(19) . . . . ?
S1 Cd2 O3 N5 -163.3(2) . . . . ?
O4 N6 O5 Cd1 -1.9(4) . . . . ?
O6 N6 O5 Cd1 178.0(2) . . . . ?
N4 Cd1 O5 N6 159.7(3) 11_554 . . . ?
N3 Cd1 O5 N6 101.0(2) 11_554 . . . ?
O8 Cd1 O5 N6 -73.1(2) . . . . ?
O10 Cd1 O5 N6 -34.5(3) . . . . ?
O11 Cd1 O5 N6 -123.7(2) . . . . ?
O7 Cd1 O5 N6 -124.1(3) . . . . ?
S2 Cd1 O5 N6 35.6(2) 11_554 . . . ?
O4 N6 O6 Cd2 -4.4(4) . . . . ?
O5 N6 O6 Cd2 175.7(2) . . . . ?
N1 Cd2 O6 N6 178.4(3) . . . . ?
O3 Cd2 O6 N6 -48.1(3) . . . . ?
N2 Cd2 O6 N6 116.5(2) . . . . ?
O11 Cd2 O6 N6 -123.9(3) 1_556 . . . ?
O2 Cd2 O6 N6 -97.2(3) . . . . ?
S1 Cd2 O6 N6 46.1(2) . . . . ?
O9 N7 O7 Cd1 177.1(3) . . . . ?
O8 N7 O7 Cd1 -0.9(3) . . . . ?
N4 Cd1 O7 N7 175.7(2) 11_554 . . . ?
O5 Cd1 O7 N7 87.8(2) . . . . ?
N3 Cd1 O7 N7 -142.3(2) 11_554 . . . ?
O8 Cd1 O7 N7 0.5(2) . . . . ?
O10 Cd1 O7 N7 -51.1(2) . . . . ?
O11 Cd1 O7 N7 -92.0(2) . . . . ?
S2 Cd1 O7 N7 24.4(3) 11_554 . . . ?
O9 N7 O8 Cd1 -176.9(3) . . . . ?
O7 N7 O8 Cd1 0.9(3) . . . . ?
N4 Cd1 O8 N7 -6.2(3) 11_554 . . . ?
O5 Cd1 O8 N7 -80.4(2) . . . . ?
N3 Cd1 O8 N7 109.5(3) 11_554 . . . ?
O10 Cd1 O8 N7 124.9(2) . . . . ?
O11 Cd1 O8 N7 73.3(2) . . . . ?
O7 Cd1 O8 N7 -0.5(2) . . . . ?
S2 Cd1 O8 N7 -171.0(2) 11_554 . . . ?
O12 N8 O10 Cd1 169.1(3) . . . . ?
O11 N8 O10 Cd1 -11.1(3) . . . . ?
N4 Cd1 O10 N8 33.4(3) 11_554 . . . ?
O5 Cd1 O10 N8 -126.6(2) . . . . ?
N3 Cd1 O10 N8 86.6(2) 11_554 . . . ?
O8 Cd1 O10 N8 -86.3(2) . . . . ?
O11 Cd1 O10 N8 6.37(17) . . . . ?
O7 Cd1 O10 N8 -47.0(2) . . . . ?
S2 Cd1 O10 N8 155.9(2) 11_554 . . . ?
O12 N8 O11 Cd2 5.3(3) . . . 1_554 ?
O10 N8 O11 Cd2 -174.6(2) . . . 1_554 ?
O12 N8 O11 Cd1 -169.2(3) . . . . ?
O10 N8 O11 Cd1 10.9(3) . . . . ?
N4 Cd1 O11 N8 -167.23(19) 11_554 . . . ?
O5 Cd1 O11 N8 117.2(2) . . . . ?
N3 Cd1 O11 N8 -96.84(19) 11_554 . . . ?
O8 Cd1 O11 N8 66.94(19) . . . . ?
O10 Cd1 O11 N8 -6.18(17) . . . . ?
O7 Cd1 O11 N8 117.6(2) . . . . ?
S2 Cd1 O11 N8 -39.5(2) 11_554 . . . ?
N4 Cd1 O11 Cd2 28.6(4) 11_554 . . 1_554 ?
O5 Cd1 O11 Cd2 -47.0(4) . . . 1_554 ?
N3 Cd1 O11 Cd2 98.9(4) 11_554 . . 1_554 ?
O8 Cd1 O11 Cd2 -97.3(4) . . . 1_554 ?
O10 Cd1 O11 Cd2 -170.4(4) . . . 1_554 ?
O7 Cd1 O11 Cd2 -46.6(4) . . . 1_554 ?
S2 Cd1 O11 Cd2 156.3(3) 11_554 . . 1_554 ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        23.26
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.335
_refine_diff_density_min         -0.298
_refine_diff_density_rms         0.044