# Electronic Supplementary Material for CrystEngComm
# This journal is (c) The Royal Society of Chemistry 2009

data_global
_journal_name_full               CrystEngComm

_journal_coden_Cambridge         1350
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

_publ_contact_author_name        'Feilong Jiang'
_publ_contact_author_email       FJIANG@FJIRSM.AC.CN

_publ_section_title              
;
The thermally stable helical chain
and octanuclear Ag(I) coordination networks with yellow luminescences

;
loop_
_publ_author_name
'Feilong Jiang.'
'Lian Chen.'
'Rui Feng.'
'Mao-Chun Hong.'
'Chunfeng Yan.'

# Attachment 'complexes_1-31.cif'

data_complex1
_database_code_depnum_ccdc_archive 'CCDC 731921'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C18 H12 Ag N7 O3'
_chemical_formula_sum            'C18 H12 Ag N7 O3'
_chemical_formula_weight         482.22

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'
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   P212121

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   10.730(7)
_cell_length_b                   6.880(4)
_cell_length_c                   23.280(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     1718.6(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4439
_cell_measurement_theta_min      3.0859
_cell_measurement_theta_max      27.4758

_exptl_crystal_description       Prism
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.864
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             960
_exptl_absorpt_coefficient_mu    1.212
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.9419
_exptl_absorpt_correction_T_max  0.9419
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2000)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(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  'Rigaku Mercury CCD area-detector'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13398
_diffrn_reflns_av_R_equivalents  0.0490
_diffrn_reflns_av_sigmaI/netI    0.0500
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         2.09
_diffrn_reflns_theta_max         27.49
_reflns_number_total             3929
_reflns_number_gt                3367
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku, 2000)'
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalClear
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F² 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/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/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   0.01(5)
_refine_ls_number_reflns         3929
_refine_ls_number_parameters     256
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0606
_refine_ls_R_factor_gt           0.0502
_refine_ls_wR_factor_ref         0.1492
_refine_ls_wR_factor_gt          0.1378
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_restrained_S_all      0.976
_refine_ls_shift/su_max          0.000
_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
Ag1 Ag 0.23830(4) 0.05517(8) 0.167217(17) 0.04762(18) Uani 1 1 d . . .
O1 O 0.4473(5) 0.1164(9) 0.1130(3) 0.0687(11) Uani 1 1 d . . .
O2 O 0.4794(6) 0.3155(11) 0.0442(2) 0.0781(18) Uani 1 1 d . . .
O3 O 0.3004(6) 0.3012(9) 0.0853(2) 0.0687(11) Uani 1 1 d . . .
N1 N 0.4093(6) 0.2451(10) 0.0799(2) 0.0497(15) Uani 1 1 d . . .
N2 N 0.0075(5) 0.1658(9) 0.1471(2) 0.0392(12) Uani 1 1 d . . .
N3 N 0.1188(4) 0.1622(8) 0.24977(19) 0.0330(10) Uani 1 1 d . . .
N4 N -0.0764(4) 0.1973(7) 0.29644(18) 0.0316(10) Uani 1 1 d . . .
N5 N -0.1921(4) 0.3058(7) 0.40011(17) 0.0316(10) Uani 1 1 d . . .
N6 N 0.1105(4) 0.1754(8) 0.35126(18) 0.0319(10) Uani 1 1 d . . .
N7 N 0.3643(4) 0.0869(8) 0.25317(19) 0.0347(11) Uani 1 1 d . . .
C1 C -0.0431(6) 0.1607(10) 0.0948(2) 0.0415(14) Uani 1 1 d . . .
H1 H 0.0089 0.1461 0.0632 0.050 Uiso 1 1 calc R . .
C2 C -0.1711(7) 0.1763(10) 0.0859(3) 0.0462(15) Uani 1 1 d . . .
H2 H -0.2040 0.1796 0.0489 0.055 Uiso 1 1 calc R . .
C3 C -0.2469(7) 0.1866(10) 0.1328(3) 0.0462(14) Uani 1 1 d . . .
H3 H -0.3329 0.1935 0.1281 0.055 Uiso 1 1 calc R . .
C4 C -0.1953(6) 0.1869(10) 0.1872(3) 0.0419(14) Uani 1 1 d . . .
H4 H -0.2458 0.1935 0.2196 0.050 Uiso 1 1 calc R . .
C5 C -0.0675(5) 0.1771(8) 0.1926(2) 0.0299(11) Uani 1 1 d . . .
C6 C -0.0053(6) 0.1811(10) 0.2504(2) 0.0298(10) Uani 1 1 d . . .
C7 C -0.0129(5) 0.1944(9) 0.3463(2) 0.0308(12) Uani 1 1 d . . .
C8 C -0.0853(5) 0.2071(8) 0.4006(2) 0.0281(11) Uani 1 1 d . . .
C9 C -0.2591(5) 0.3115(9) 0.4480(2) 0.0366(12) Uani 1 1 d . . .
H9 H -0.3333 0.3814 0.4482 0.044 Uiso 1 1 calc R . .
C10 C -0.2222(5) 0.2173(10) 0.4973(2) 0.0406(14) Uani 1 1 d . . .
H10 H -0.2728 0.2205 0.5297 0.049 Uiso 1 1 calc R . .
C11 C -0.1120(5) 0.1197(9) 0.4987(2) 0.0366(13) Uani 1 1 d . . .
H11 H -0.0856 0.0582 0.5322 0.044 Uiso 1 1 calc R . .
C12 C -0.0396(5) 0.1136(9) 0.4491(2) 0.0344(12) Uani 1 1 d . . .
H12 H 0.0367 0.0494 0.4485 0.041 Uiso 1 1 calc R . .
C13 C 0.1726(5) 0.1619(9) 0.3014(2) 0.0281(11) Uani 1 1 d . . .
C14 C 0.3103(5) 0.1357(9) 0.3023(2) 0.0321(12) Uani 1 1 d . . .
C15 C 0.3755(6) 0.1604(11) 0.3531(3) 0.0416(15) Uani 1 1 d . . .
H15 H 0.3348 0.1986 0.3865 0.050 Uiso 1 1 calc R . .
C16 C 0.5018(6) 0.1270(11) 0.3530(3) 0.0450(17) Uani 1 1 d . . .
H16 H 0.5474 0.1394 0.3868 0.054 Uiso 1 1 calc R . .
C17 C 0.5601(5) 0.0756(11) 0.3033(3) 0.0422(14) Uani 1 1 d . . .
H17 H 0.6456 0.0533 0.3024 0.051 Uiso 1 1 calc R . .
C18 C 0.4876(5) 0.0573(11) 0.2536(3) 0.0407(13) Uani 1 1 d . . .
H18 H 0.5268 0.0232 0.2195 0.049 Uiso 1 1 calc R . .


_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 N5 2.376(5) 4_545 ?
Ag1 N3 2.425(5) . ?
Ag1 N7 2.425(5) . ?
Ag1 O1 2.608(6) . ?
Ag1 N2 2.633(6) . ?
Ag1 O3 2.636(6) . ?
O1 N1 1.243(8) . ?
O2 N1 1.220(8) . ?
O3 N1 1.237(8) . ?
N2 C1 1.333(7) . ?
N2 C5 1.332(7) . ?
N3 C13 1.332(6) . ?
N3 C6 1.339(8) . ?
N4 C6 1.320(7) . ?
N4 C7 1.347(6) . ?
N5 C8 1.332(7) . ?
N5 C9 1.327(7) . ?
N5 Ag1 2.376(5) 4 ?
N6 C7 1.336(7) . ?
N6 C13 1.342(6) . ?
N7 C18 1.338(7) . ?
N7 C14 1.325(7) . ?
C1 C2 1.393(9) . ?
C1 H1 0.9300 . ?
C2 C3 1.362(9) . ?
C2 H2 0.9300 . ?
C3 C4 1.384(9) . ?
C3 H3 0.9300 . ?
C4 C5 1.378(9) . ?
C4 H4 0.9300 . ?
C5 C6 1.503(7) . ?
C7 C8 1.486(7) . ?
C8 C12 1.388(7) . ?
C9 C10 1.376(8) . ?
C9 H9 0.9300 . ?
C10 C11 1.360(8) . ?
C10 H10 0.9300 . ?
C11 C12 1.393(8) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.489(8) . ?
C14 C15 1.385(8) . ?
C15 C16 1.375(8) . ?
C15 H15 0.9300 . ?
C16 C17 1.362(9) . ?
C16 H16 0.9300 . ?
C17 C18 1.400(9) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?

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
N5 Ag1 N3 129.18(16) 4_545 . ?
N5 Ag1 N7 136.53(18) 4_545 . ?
N3 Ag1 N7 67.26(16) . . ?
N5 Ag1 O1 88.66(18) 4_545 . ?
N3 Ag1 O1 142.13(19) . . ?
N7 Ag1 O1 84.57(17) . . ?
N5 Ag1 N2 83.97(17) 4_545 . ?
N3 Ag1 N2 63.65(15) . . ?
N7 Ag1 N2 130.21(16) . . ?
O1 Ag1 N2 132.52(17) . . ?
N5 Ag1 O3 92.25(19) 4_545 . ?
N3 Ag1 O3 120.81(19) . . ?
N7 Ag1 O3 113.47(18) . . ?
O1 Ag1 O3 47.82(18) . . ?
N2 Ag1 O3 85.59(18) . . ?
N1 O1 Ag1 97.6(4) . . ?
N1 O3 Ag1 96.4(4) . . ?
O2 N1 O3 121.8(7) . . ?
O2 N1 O1 120.2(7) . . ?
O3 N1 O1 118.0(6) . . ?
C1 N2 C5 118.8(5) . . ?
C1 N2 Ag1 122.6(4) . . ?
C5 N2 Ag1 116.3(4) . . ?
C13 N3 C6 114.9(5) . . ?
C13 N3 Ag1 119.0(4) . . ?
C6 N3 Ag1 124.3(4) . . ?
C6 N4 C7 114.0(5) . . ?
C8 N5 C9 118.3(5) . . ?
C8 N5 Ag1 123.6(4) . 4 ?
C9 N5 Ag1 114.8(4) . 4 ?
C7 N6 C13 115.1(4) . . ?
C18 N7 C14 117.7(5) . . ?
C18 N7 Ag1 123.0(4) . . ?
C14 N7 Ag1 119.4(4) . . ?
N2 C1 C2 122.4(6) . . ?
N2 C1 H1 118.8 . . ?
C2 C1 H1 118.8 . . ?
C3 C2 C1 118.2(6) . . ?
C3 C2 H2 120.9 . . ?
C1 C2 H2 120.9 . . ?
C2 C3 C4 119.6(6) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C5 C4 C3 118.7(6) . . ?
C5 C4 H4 120.6 . . ?
C3 C4 H4 120.6 . . ?
N2 C5 C4 122.1(5) . . ?
N2 C5 C6 116.4(5) . . ?
C4 C5 C6 121.4(5) . . ?
N4 C6 N3 126.3(5) . . ?
N4 C6 C5 118.2(5) . . ?
N3 C6 C5 115.5(5) . . ?
N6 C7 N4 125.2(5) . . ?
N6 C7 C8 116.8(5) . . ?
N4 C7 C8 118.0(5) . . ?
N5 C8 C12 123.2(5) . . ?
N5 C8 C7 118.1(5) . . ?
C12 C8 C7 118.7(5) . . ?
N5 C9 C10 122.1(5) . . ?
N5 C9 H9 119.0 . . ?
C10 C9 H9 119.0 . . ?
C9 C10 C11 120.2(5) . . ?
C9 C10 H10 119.9 . . ?
C11 C10 H10 119.9 . . ?
C10 C11 C12 118.6(5) . . ?
C10 C11 H11 120.7 . . ?
C12 C11 H11 120.7 . . ?
C11 C12 C8 117.6(5) . . ?
C11 C12 H12 121.2 . . ?
C8 C12 H12 121.2 . . ?
N3 C13 N6 124.4(5) . . ?
N3 C13 C14 116.3(5) . . ?
N6 C13 C14 119.2(5) . . ?
N7 C14 C15 123.2(5) . . ?
N7 C14 C13 116.9(5) . . ?
C15 C14 C13 119.9(5) . . ?
C16 C15 C14 118.5(6) . . ?
C16 C15 H15 120.8 . . ?
C14 C15 H15 120.8 . . ?
C17 C16 C15 119.8(5) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C16 C17 C18 118.1(5) . . ?
C16 C17 H17 121.0 . . ?
C18 C17 H17 121.0 . . ?
N7 C18 C17 122.8(5) . . ?
N7 C18 H18 118.6 . . ?
C17 C18 H18 118.6 . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.986
_refine_diff_density_min         -0.982
_refine_diff_density_rms         0.095
#===END
data_complex2
_database_code_depnum_ccdc_archive 'CCDC 731922'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C54 H48 Ag2 N8 O9 P2'
_chemical_formula_sum            'C54 H48 Ag2 N8 O9 P2'
_chemical_formula_weight         1230.68

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'
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'
P P 0.1023 0.0942 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   9.116(3)
_cell_length_b                   29.567(9)
_cell_length_c                   21.280(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 108.425(12)
_cell_angle_gamma                90.00
_cell_volume                     5442(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    10433
_cell_measurement_theta_min      3.0540
_cell_measurement_theta_max      27.4835

_exptl_crystal_description       Prism
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.502
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2496
_exptl_absorpt_coefficient_mu    0.841
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.8173
_exptl_absorpt_correction_T_max  0.9058
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2000)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(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  'Rigaku Mercury CCD area-detector'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            39682
_diffrn_reflns_av_R_equivalents  0.0454
_diffrn_reflns_av_sigmaI/netI    0.0524
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.30
_diffrn_reflns_theta_max         27.49
_reflns_number_total             12404
_reflns_number_gt                9501
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku, 2000)'
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalClear
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F² 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/[σ²(Fo²)+(0.0701P)²+8.5306P] where P=(Fo²+2Fc²)/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_number_reflns         12404
_refine_ls_number_parameters     678
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0923
_refine_ls_R_factor_gt           0.0693
_refine_ls_wR_factor_ref         0.1864
_refine_ls_wR_factor_gt          0.1707
_refine_ls_goodness_of_fit_ref   1.140
_refine_ls_restrained_S_all      1.140
_refine_ls_shift/su_max          0.001
_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
Ag1 Ag 0.09857(5) 0.977626(16) 0.22437(2) 0.05468(14) Uani 1 1 d . . .
Ag2 Ag -0.36201(5) 1.162600(15) 0.06901(2) 0.05525(14) Uani 1 1 d . . .
P1 P 0.25828(15) 0.98246(5) 0.33680(7) 0.0452(3) Uani 1 1 d . . .
P2 P -0.27336(16) 1.20532(5) 0.16895(7) 0.0457(3) Uani 1 1 d . . .
O1 O 0.1843(7) 0.97353(17) 0.1268(3) 0.0857(15) Uani 1 1 d . . .
O2 O 0.2173(8) 0.9039(2) 0.1503(3) 0.115(2) Uani 1 1 d . . .
O3 O 0.2296(5) 0.92818(16) 0.0569(3) 0.0723(12) Uani 1 1 d . . .
O4 O -0.2533(6) 1.16221(17) -0.0200(3) 0.0769(13) Uani 1 1 d . . .
O5 O -0.4184(11) 1.2361(3) -0.0938(5) 0.153(3) Uani 1 1 d . . .
O6 O -0.5462(9) 1.2195(2) -0.0295(4) 0.122(2) Uani 1 1 d . . .
O7 O -0.5481(15) 1.2855(3) -0.0621(6) 0.208(5) Uani 1 1 d . . .
O8A O 0.042(4) 1.2444(11) -0.0390(17) 0.223(6) Uani 0.50 1 d P . .
O8B O -0.047(3) 1.2727(10) -0.0322(15) 0.223(6) Uani 0.50 1 d P . .
O9A O -0.009(3) 1.2315(10) -0.0928(15) 0.223(6) Uani 0.50 1 d P . .
O9B O 0.160(3) 1.2649(10) -0.0114(14) 0.223(6) Uani 0.50 1 d P . .
N1 N 0.2120(5) 0.93500(19) 0.1122(3) 0.0583(12) Uani 1 1 d . . .
N2 N -0.1153(5) 0.92467(15) 0.1877(2) 0.0525(11) Uani 1 1 d . . .
N3 N -0.4036(5) 1.00521(14) 0.0987(2) 0.0467(10) Uani 1 1 d . . .
N4 N -0.2774(5) 1.07434(14) 0.0900(2) 0.0428(9) Uani 1 1 d . . .
N5 N -0.1339(5) 1.01178(13) 0.1486(2) 0.0437(9) Uani 1 1 d . . .
N6 N 0.1204(5) 1.06362(17) 0.1909(3) 0.0661(14) Uani 1 1 d . . .
N7 N -0.5639(5) 1.11224(14) 0.0276(2) 0.0453(10) Uani 1 1 d . . .
N8 N -0.5000(11) 1.2476(2) -0.0607(5) 0.108(3) Uani 1 1 d . . .
C1 C -0.1033(8) 0.8817(2) 0.2046(4) 0.0724(19) Uani 1 1 d . . .
H1 H -0.0056 0.8704 0.2272 0.087 Uiso 1 1 calc R . .
C2 C -0.2287(9) 0.8523(2) 0.1905(4) 0.079(2) Uani 1 1 d . . .
H2 H -0.2152 0.8222 0.2038 0.095 Uiso 1 1 calc R . .
C3 C -0.3727(8) 0.8687(2) 0.1565(4) 0.0692(18) Uani 1 1 d . . .
H3 H -0.4587 0.8499 0.1467 0.083 Uiso 1 1 calc R . .
C4 C -0.3886(7) 0.9138(2) 0.1368(3) 0.0576(14) Uani 1 1 d . . .
H4 H -0.4845 0.9257 0.1131 0.069 Uiso 1 1 calc R . .
C5 C -0.2575(6) 0.94011(17) 0.1536(3) 0.0444(11) Uani 1 1 d . . .
C6 C -0.2657(5) 0.98882(16) 0.1325(2) 0.0407(10) Uani 1 1 d . . .
C7 C -0.4039(5) 1.04809(16) 0.0798(2) 0.0401(10) Uani 1 1 d . . .
C8 C -0.5581(5) 1.06814(17) 0.0444(2) 0.0407(10) Uani 1 1 d . . .
C9 C -0.6881(6) 1.04119(19) 0.0300(3) 0.0479(12) Uani 1 1 d . . .
H9 H -0.6802 1.0110 0.0428 0.058 Uiso 1 1 calc R . .
C10 C -0.8313(6) 1.0599(2) -0.0040(3) 0.0542(13) Uani 1 1 d . . .
H10 H -0.9211 1.0427 -0.0138 0.065 Uiso 1 1 calc R . .
C11 C -0.8369(6) 1.1042(2) -0.0226(3) 0.0572(14) Uani 1 1 d . . .
H11 H -0.9305 1.1174 -0.0466 0.069 Uiso 1 1 calc R . .
C12 C -0.7021(6) 1.12935(19) -0.0054(3) 0.0523(13) Uani 1 1 d . . .
H12 H -0.7082 1.1597 -0.0176 0.063 Uiso 1 1 calc R . .
C13 C -0.1441(5) 1.05385(17) 0.1258(2) 0.0408(10) Uani 1 1 d . . .
C14 C 0.0022(6) 1.08013(17) 0.1420(3) 0.0443(11) Uani 1 1 d . . .
C15 C 0.0136(6) 1.11897(19) 0.1087(3) 0.0523(13) Uani 1 1 d . . .
H15 H -0.0710 1.1299 0.0749 0.063 Uiso 1 1 calc R . .
C16 C 0.1551(7) 1.14190(19) 0.1265(3) 0.0572(14) Uani 1 1 d . . .
H16 H 0.1665 1.1683 0.1047 0.069 Uiso 1 1 calc R . .
C17 C 0.2740(7) 1.1250(2) 0.1755(4) 0.0669(17) Uani 1 1 d . . .
H17 H 0.3696 1.1394 0.1880 0.080 Uiso 1 1 calc R . .
C18 C 0.2526(8) 1.0858(2) 0.2075(4) 0.080(2) Uani 1 1 d . . .
H18 H 0.3350 1.0748 0.2421 0.096 Uiso 1 1 calc R . .
C19 C 0.1175(7) 1.0624(2) 0.3559(3) 0.0657(17) Uani 1 1 d . . .
H19 H 0.0277 1.0492 0.3281 0.079 Uiso 1 1 calc R . .
C20 C 0.1115(9) 1.1040(2) 0.3815(4) 0.077(2) Uani 1 1 d . . .
H20 H 0.0167 1.1186 0.3721 0.092 Uiso 1 1 calc R . .
C21 C 0.2433(10) 1.1252(2) 0.4213(4) 0.078(2) Uani 1 1 d . . .
H21 H 0.2372 1.1539 0.4381 0.093 Uiso 1 1 calc R . .
C22 C 0.3828(9) 1.1037(2) 0.4356(4) 0.0691(17) Uani 1 1 d . . .
H22 H 0.4724 1.1179 0.4615 0.083 Uiso 1 1 calc R . .
C23 C 0.3903(7) 1.0603(2) 0.4113(3) 0.0544(13) Uani 1 1 d . . .
H23 H 0.4850 1.0455 0.4223 0.065 Uiso 1 1 calc R . .
C24 C 0.2589(6) 1.03896(19) 0.3711(3) 0.0500(12) Uani 1 1 d . . .
C25 C 0.5167(7) 0.9769(2) 0.2961(3) 0.0587(14) Uani 1 1 d . . .
H25 H 0.4513 0.9873 0.2557 0.070 Uiso 1 1 calc R . .
C26 C 0.6723(8) 0.9678(3) 0.3044(4) 0.0741(19) Uani 1 1 d . . .
H26 H 0.7102 0.9723 0.2691 0.089 Uiso 1 1 calc R . .
C27 C 0.7690(7) 0.9524(2) 0.3632(4) 0.0712(19) Uani 1 1 d . . .
H27 H 0.8722 0.9465 0.3680 0.085 Uiso 1 1 calc R . .
C28 C 0.7134(7) 0.9455(2) 0.4161(4) 0.0680(17) Uani 1 1 d . . .
H28 H 0.7785 0.9348 0.4564 0.082 Uiso 1 1 calc R . .
C29 C 0.5600(6) 0.9547(2) 0.4080(3) 0.0616(15) Uani 1 1 d . . .
H29 H 0.5226 0.9501 0.4434 0.074 Uiso 1 1 calc R . .
C30 C 0.4614(6) 0.97029(18) 0.3492(3) 0.0460(11) Uani 1 1 d . . .
C31 C 0.2125(6) 0.94623(18) 0.3974(3) 0.0481(12) Uani 1 1 d . . .
C32 C 0.1875(7) 0.9616(2) 0.4542(3) 0.0590(14) Uani 1 1 d . . .
H32 H 0.1951 0.9924 0.4640 0.071 Uiso 1 1 calc R . .
C33 C 0.1510(8) 0.9315(3) 0.4968(4) 0.0745(19) Uani 1 1 d . . .
H33 H 0.1353 0.9425 0.5350 0.089 Uiso 1 1 calc R . .
C34 C 0.1380(10) 0.8880(3) 0.4851(4) 0.086(2) Uani 1 1 d . . .
H34 H 0.1116 0.8687 0.5142 0.103 Uiso 1 1 calc R . .
C35 C 0.1637(11) 0.8713(2) 0.4295(5) 0.092(3) Uani 1 1 d . . .
H35 H 0.1579 0.8402 0.4218 0.110 Uiso 1 1 calc R . .
C36 C 0.1984(9) 0.8998(2) 0.3845(4) 0.0737(19) Uani 1 1 d . . .
H36 H 0.2120 0.8883 0.3461 0.088 Uiso 1 1 calc R . .
C37 C -0.2996(6) 1.17232(17) 0.2371(3) 0.0451(11) Uani 1 1 d . . .
C38 C -0.2729(8) 1.1259(2) 0.2358(3) 0.0635(16) Uani 1 1 d . . .
H38 H -0.2372 1.1140 0.2028 0.076 Uiso 1 1 calc R . .
C39 C -0.2981(8) 1.0973(2) 0.2823(4) 0.0697(18) Uani 1 1 d . . .
H39 H -0.2788 1.0665 0.2804 0.084 Uiso 1 1 calc R . .
C40 C -0.3506(8) 1.1133(3) 0.3307(4) 0.0694(18) Uani 1 1 d . . .
H40 H -0.3680 1.0937 0.3618 0.083 Uiso 1 1 calc R . .
C41 C -0.3783(9) 1.1596(3) 0.3333(4) 0.079(2) Uani 1 1 d . . .
H41 H -0.4145 1.1711 0.3663 0.095 Uiso 1 1 calc R . .
C42 C -0.3521(7) 1.1885(2) 0.2869(3) 0.0621(15) Uani 1 1 d . . .
H42 H -0.3702 1.2193 0.2894 0.075 Uiso 1 1 calc R . .
C43 C -0.0677(6) 1.21901(18) 0.1945(3) 0.0509(13) Uani 1 1 d . . .
C44 C 0.0379(7) 1.2062(2) 0.2539(4) 0.0669(16) Uani 1 1 d . . .
H44 H 0.0064 1.1888 0.2838 0.080 Uiso 1 1 calc R . .
C45 C 0.1923(8) 1.2193(3) 0.2691(4) 0.080(2) Uani 1 1 d . . .
H45 H 0.2632 1.2107 0.3092 0.096 Uiso 1 1 calc R . .
C46 C 0.2403(9) 1.2445(3) 0.2262(6) 0.092(3) Uani 1 1 d . . .
H46 H 0.3434 1.2531 0.2367 0.110 Uiso 1 1 calc R . .
C47 C 0.1383(10) 1.2569(3) 0.1688(6) 0.094(3) Uani 1 1 d . . .
H47 H 0.1723 1.2744 0.1398 0.113 Uiso 1 1 calc R . .
C48 C -0.0181(8) 1.2447(2) 0.1503(4) 0.0713(18) Uani 1 1 d . . .
H48 H -0.0867 1.2535 0.1097 0.086 Uiso 1 1 calc R . .
C49 C -0.3022(8) 1.2886(2) 0.2263(4) 0.0666(17) Uani 1 1 d . . .
H49 H -0.2153 1.2802 0.2610 0.080 Uiso 1 1 calc R . .
C50 C -0.3739(10) 1.3302(2) 0.2282(5) 0.081(2) Uani 1 1 d . . .
H50 H -0.3346 1.3495 0.2641 0.097 Uiso 1 1 calc R . .
C51 C -0.5031(9) 1.3423(2) 0.1768(5) 0.084(2) Uani 1 1 d . . .
H51 H -0.5527 1.3695 0.1787 0.101 Uiso 1 1 calc R . .
C52 C -0.5586(8) 1.3149(2) 0.1232(4) 0.078(2) Uani 1 1 d . . .
H52 H -0.6434 1.3239 0.0880 0.093 Uiso 1 1 calc R . .
C53 C -0.4897(7) 1.2735(2) 0.1208(3) 0.0603(15) Uani 1 1 d . . .
H53 H -0.5297 1.2547 0.0844 0.072 Uiso 1 1 calc R . .
C54 C -0.3610(6) 1.25988(18) 0.1725(3) 0.0516(13) Uani 1 1 d . . .
H4B H -0.3145 1.1807 -0.0463 0.062(19) Uiso 1 1 d R . .
H4A H -0.2541 1.1375 -0.0406 0.13(4) Uiso 1 1 d R . .


_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 P1 2.3796(15) . ?
Ag1 N2 2.429(4) . ?
Ag1 N5 2.439(4) . ?
Ag1 O1 2.441(5) . ?
Ag2 N7 2.314(4) . ?
Ag2 P2 2.3844(15) . ?
Ag2 O4 2.399(5) . ?
P1 C24 1.823(6) . ?
P1 C30 1.822(5) . ?
P1 C31 1.824(6) . ?
P2 C54 1.812(6) . ?
P2 C37 1.826(6) . ?
P2 C43 1.824(6) . ?
O1 N1 1.228(7) . ?
O2 N1 1.217(7) . ?
O3 N1 1.255(7) . ?
O4 H4B 0.8530 . ?
O4 H4A 0.8505 . ?
O5 N8 1.224(10) . ?
O6 N8 1.220(9) . ?
O7 N8 1.200(9) . ?
O8A O9A 1.16(3) . ?
O8A O9B 1.22(3) . ?
O8A O8B 1.20(3) . ?
O8B O9B 1.82(4) . ?
N2 C1 1.314(7) . ?
N2 C5 1.349(7) . ?
N3 C7 1.330(6) . ?
N3 C6 1.327(6) . ?
N4 C13 1.356(6) . ?
N4 C7 1.350(6) . ?
N5 C6 1.327(6) . ?
N5 C13 1.328(6) . ?
N6 C18 1.319(8) . ?
N6 C14 1.332(7) . ?
N7 C12 1.333(7) . ?
N7 C8 1.348(6) . ?
N8 O5 1.224(10) 1 ?
C1 C2 1.392(9) . ?
C1 H1 0.9300 . ?
C2 C3 1.371(10) . ?
C2 H2 0.9300 . ?
C3 C4 1.390(9) . ?
C3 H3 0.9300 . ?
C4 C5 1.376(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.504(7) . ?
C7 C8 1.491(7) . ?
C8 C9 1.380(7) . ?
C9 C10 1.392(8) . ?
C9 H9 0.9300 . ?
C10 C11 1.364(8) . ?
C10 H10 0.9300 . ?
C11 C12 1.382(8) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.487(7) . ?
C14 C15 1.370(8) . ?
C15 C16 1.399(8) . ?
C15 H15 0.9300 . ?
C16 C17 1.341(9) . ?
C16 H16 0.9300 . ?
C17 C18 1.387(10) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.353(9) . ?
C19 C24 1.408(8) . ?
C19 H19 0.9300 . ?
C20 C21 1.382(11) . ?
C20 H20 0.9300 . ?
C21 C22 1.368(10) . ?
C21 H21 0.9300 . ?
C22 C23 1.391(9) . ?
C22 H22 0.9300 . ?
C23 C24 1.385(8) . ?
C23 H23 0.9300 . ?
C25 C30 1.388(8) . ?
C25 C26 1.400(9) . ?
C25 H25 0.9300 . ?
C26 C27 1.363(10) . ?
C26 H26 0.9300 . ?
C27 C28 1.387(10) . ?
C27 H27 0.9300 . ?
C28 C29 1.381(8) . ?
C28 H28 0.9300 . ?
C29 C30 1.370(8) . ?
C29 H29 0.9300 . ?
C31 C32 1.375(8) . ?
C31 C36 1.397(9) . ?
C32 C33 1.385(9) . ?
C32 H32 0.9300 . ?
C33 C34 1.306(11) . ?
C33 H33 0.9300 . ?
C34 C35 1.370(12) . ?
C34 H34 0.9300 . ?
C35 C36 1.386(10) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 C42 1.380(8) . ?
C37 C38 1.397(8) . ?
C38 C39 1.374(9) . ?
C38 H38 0.9300 . ?
C39 C40 1.351(10) . ?
C39 H39 0.9300 . ?
C40 C41 1.398(10) . ?
C40 H40 0.9300 . ?
C41 C42 1.381(10) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C43 C48 1.390(9) . ?
C43 C44 1.379(9) . ?
C44 C45 1.396(9) . ?
C44 H44 0.9300 . ?
C45 C46 1.352(13) . ?
C45 H45 0.9300 . ?
C46 C47 1.331(13) . ?
C46 H46 0.9300 . ?
C47 C48 1.401(10) . ?
C47 H47 0.9300 . ?
C48 H48 0.9300 . ?
C49 C54 1.390(8) . ?
C49 C50 1.399(9) . ?
C49 H49 0.9300 . ?
C50 C51 1.378(12) . ?
C50 H50 0.9300 . ?
C51 C52 1.360(12) . ?
C51 H51 0.9300 . ?
C52 C53 1.383(9) . ?
C52 H52 0.9300 . ?
C53 C54 1.390(8) . ?
C53 H53 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Ag1 N2 122.37(12) . . ?
P1 Ag1 N5 140.12(11) . . ?
N2 Ag1 N5 67.25(14) . . ?
P1 Ag1 O1 126.83(16) . . ?
N2 Ag1 O1 97.77(18) . . ?
N5 Ag1 O1 84.43(18) . . ?
N7 Ag2 P2 133.22(12) . . ?
N7 Ag2 O4 100.02(18) . . ?
P2 Ag2 O4 126.76(14) . . ?
C24 P1 C30 104.4(2) . . ?
C24 P1 C31 103.1(3) . . ?
C30 P1 C31 103.4(2) . . ?
C24 P1 Ag1 112.41(18) . . ?
C30 P1 Ag1 113.85(18) . . ?
C31 P1 Ag1 118.16(18) . . ?
C54 P2 C37 105.8(3) . . ?
C54 P2 C43 102.4(3) . . ?
C37 P2 C43 105.2(3) . . ?
C54 P2 Ag2 118.6(2) . . ?
C37 P2 Ag2 109.44(17) . . ?
C43 P2 Ag2 114.19(19) . . ?
N1 O1 Ag1 114.1(4) . . ?
Ag2 O4 H4B 99.7 . . ?
Ag2 O4 H4A 118.2 . . ?
H4B O4 H4A 108.2 . . ?
O9A O8A O9B 131(4) . . ?
O9A O8A O8B 106(4) . . ?
O9B O8A O8B 97(3) . . ?
O8A O8B O9B 42(2) . . ?
O8A O9B O8B 41(2) . . ?
O2 N1 O1 120.0(7) . . ?
O2 N1 O3 120.9(6) . . ?
O1 N1 O3 119.0(6) . . ?
C1 N2 C5 117.2(5) . . ?
C1 N2 Ag1 123.0(4) . . ?
C5 N2 Ag1 119.5(3) . . ?
C7 N3 C6 115.0(4) . . ?
C13 N4 C7 113.7(4) . . ?
C6 N5 C13 115.6(4) . . ?
C6 N5 Ag1 119.0(3) . . ?
C13 N5 Ag1 125.1(3) . . ?
C18 N6 C14 118.1(5) . . ?
C12 N7 C8 117.3(4) . . ?
C12 N7 Ag2 117.5(3) . . ?
C8 N7 Ag2 124.1(3) . . ?
O7 N8 O6 117.6(10) . . ?
O7 N8 O5 122.0(9) . 1 ?
O6 N8 O5 120.0(8) . 1 ?
O7 N8 O5 122.0(9) . . ?
O6 N8 O5 120.0(8) . . ?
N2 C1 C2 123.5(6) . . ?
N2 C1 H1 118.2 . . ?
C2 C1 H1 118.2 . . ?
C3 C2 C1 118.5(6) . . ?
C3 C2 H2 120.8 . . ?
C1 C2 H2 120.8 . . ?
C2 C3 C4 119.3(6) . . ?
C2 C3 H3 120.4 . . ?
C4 C3 H3 120.4 . . ?
C5 C4 C3 117.7(6) . . ?
C5 C4 H4 121.1 . . ?
C3 C4 H4 121.1 . . ?
N2 C5 C4 123.8(5) . . ?
N2 C5 C6 115.7(4) . . ?
C4 C5 C6 120.5(5) . . ?
N5 C6 N3 125.3(5) . . ?
N5 C6 C5 117.2(4) . . ?
N3 C6 C5 117.4(4) . . ?
N3 C7 N4 125.4(4) . . ?
N3 C7 C8 116.3(4) . . ?
N4 C7 C8 118.3(4) . . ?
N7 C8 C9 122.7(5) . . ?
N7 C8 C7 118.1(4) . . ?
C9 C8 C7 119.3(5) . . ?
C8 C9 C10 119.0(5) . . ?
C8 C9 H9 120.5 . . ?
C10 C9 H9 120.5 . . ?
C11 C10 C9 118.4(5) . . ?
C11 C10 H10 120.8 . . ?
C9 C10 H10 120.8 . . ?
C10 C11 C12 119.4(5) . . ?
C10 C11 H11 120.3 . . ?
C12 C11 H11 120.3 . . ?
N7 C12 C11 123.2(5) . . ?
N7 C12 H12 118.4 . . ?
C11 C12 H12 118.4 . . ?
N5 C13 N4 124.8(4) . . ?
N5 C13 C14 116.8(4) . . ?
N4 C13 C14 118.4(4) . . ?
N6 C14 C15 122.4(5) . . ?
N6 C14 C13 115.7(5) . . ?
C15 C14 C13 121.8(5) . . ?
C14 C15 C16 118.7(6) . . ?
C14 C15 H15 120.6 . . ?
C16 C15 H15 120.6 . . ?
C17 C16 C15 118.6(6) . . ?
C17 C16 H16 120.7 . . ?
C15 C16 H16 120.7 . . ?
C16 C17 C18 119.2(6) . . ?
C16 C17 H17 120.4 . . ?
C18 C17 H17 120.4 . . ?
N6 C18 C17 122.9(6) . . ?
N6 C18 H18 118.6 . . ?
C17 C18 H18 118.6 . . ?
C20 C19 C24 120.3(6) . . ?
C20 C19 H19 119.8 . . ?
C24 C19 H19 119.8 . . ?
C19 C20 C21 121.4(7) . . ?
C19 C20 H20 119.3 . . ?
C21 C20 H20 119.3 . . ?
C22 C21 C20 119.5(7) . . ?
C22 C21 H21 120.3 . . ?
C20 C21 H21 120.3 . . ?
C21 C22 C23 119.8(7) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C24 C23 C22 121.0(6) . . ?
C24 C23 H23 119.5 . . ?
C22 C23 H23 119.5 . . ?
C23 C24 C19 117.9(6) . . ?
C23 C24 P1 123.9(4) . . ?
C19 C24 P1 118.2(4) . . ?
C30 C25 C26 119.0(6) . . ?
C30 C25 H25 120.5 . . ?
C26 C25 H25 120.5 . . ?
C27 C26 C25 121.0(7) . . ?
C27 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?
C26 C27 C28 119.9(6) . . ?
C26 C27 H27 120.0 . . ?
C28 C27 H27 120.0 . . ?
C29 C28 C27 119.0(6) . . ?
C29 C28 H28 120.5 . . ?
C27 C28 H28 120.5 . . ?
C30 C29 C28 121.8(6) . . ?
C30 C29 H29 119.1 . . ?
C28 C29 H29 119.1 . . ?
C29 C30 C25 119.3(5) . . ?
C29 C30 P1 122.8(4) . . ?
C25 C30 P1 117.9(4) . . ?
C32 C31 C36 117.9(6) . . ?
C32 C31 P1 124.4(5) . . ?
C36 C31 P1 117.7(5) . . ?
C31 C32 C33 120.1(7) . . ?
C31 C32 H32 119.9 . . ?
C33 C32 H32 119.9 . . ?
C34 C33 C32 122.3(7) . . ?
C34 C33 H33 118.8 . . ?
C32 C33 H33 118.8 . . ?
C33 C34 C35 119.4(7) . . ?
C33 C34 H34 120.3 . . ?
C35 C34 H34 120.3 . . ?
C34 C35 C36 121.0(7) . . ?
C34 C35 H35 119.5 . . ?
C36 C35 H35 119.5 . . ?
C35 C36 C31 119.3(7) . . ?
C35 C36 H36 120.4 . . ?
C31 C36 H36 120.4 . . ?
C42 C37 C38 117.5(5) . . ?
C42 C37 P2 126.2(4) . . ?
C38 C37 P2 116.2(4) . . ?
C39 C38 C37 121.3(6) . . ?
C39 C38 H38 119.3 . . ?
C37 C38 H38 119.3 . . ?
C40 C39 C38 120.9(6) . . ?
C40 C39 H39 119.5 . . ?
C38 C39 H39 119.5 . . ?
C39 C40 C41 119.0(6) . . ?
C39 C40 H40 120.5 . . ?
C41 C40 H40 120.5 . . ?
C42 C41 C40 120.3(7) . . ?
C42 C41 H41 119.9 . . ?
C40 C41 H41 119.9 . . ?
C41 C42 C37 121.0(6) . . ?
C41 C42 H42 119.5 . . ?
C37 C42 H42 119.5 . . ?
C48 C43 C44 119.2(6) . . ?
C48 C43 P2 116.3(5) . . ?
C44 C43 P2 124.5(5) . . ?
C43 C44 C45 119.7(7) . . ?
C43 C44 H44 120.2 . . ?
C45 C44 H44 120.2 . . ?
C46 C45 C44 121.0(8) . . ?
C46 C45 H45 119.5 . . ?
C44 C45 H45 119.5 . . ?
C47 C46 C45 119.3(7) . . ?
C47 C46 H46 120.4 . . ?
C45 C46 H46 120.4 . . ?
C46 C47 C48 122.7(8) . . ?
C46 C47 H47 118.7 . . ?
C48 C47 H47 118.7 . . ?
C43 C48 C47 118.1(8) . . ?
C43 C48 H48 121.0 . . ?
C47 C48 H48 121.0 . . ?
C54 C49 C50 119.9(7) . . ?
C54 C49 H49 120.0 . . ?
C50 C49 H49 120.0 . . ?
C51 C50 C49 119.8(7) . . ?
C51 C50 H50 120.1 . . ?
C49 C50 H50 120.1 . . ?
C52 C51 C50 120.5(7) . . ?
C52 C51 H51 119.7 . . ?
C50 C51 H51 119.7 . . ?
C51 C52 C53 120.4(7) . . ?
C51 C52 H52 119.8 . . ?
C53 C52 H52 119.8 . . ?
C52 C53 C54 120.5(7) . . ?
C52 C53 H53 119.8 . . ?
C54 C53 H53 119.8 . . ?
C49 C54 C53 118.9(6) . . ?
C49 C54 P2 121.2(5) . . ?
C53 C54 P2 119.9(5) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O4 H4B O5 0.85 2.00 2.831(9) 164.8 1
O4 H4A O3 0.85 2.00 2.813(7) 160.1 3_575

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         0.947
_refine_diff_density_min         -0.970
_refine_diff_density_rms         0.089
#===END
data_complex3
_database_code_depnum_ccdc_archive 'CCDC 731923'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C37 H24 Ag4 N16 O9'
_chemical_formula_sum            'C37 H24 Ag4 N16 O9'
_chemical_formula_weight         1268.20

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'
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.021(3)
_cell_length_b                   13.251(5)
_cell_length_c                   15.090(5)
_cell_angle_alpha                78.14(2)
_cell_angle_beta                 66.925(14)
_cell_angle_gamma                63.551(12)
_cell_volume                     1978.5(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    5365
_cell_measurement_theta_min      3.1331
_cell_measurement_theta_max      27.4797

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.129
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1236
_exptl_absorpt_coefficient_mu    2.030
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.4972
_exptl_absorpt_correction_T_max  0.6869
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2000)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(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  'Rigaku Mercury CCD area-detector'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            12349
_diffrn_reflns_av_R_equivalents  0.0158
_diffrn_reflns_av_sigmaI/netI    0.0224
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.05
_diffrn_reflns_theta_max         25.00
_reflns_number_total             6584
_reflns_number_gt                5927
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku, 2000)'
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalClear
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F² 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/[σ²(Fo²)+(0.0375P)²+3.2113P] where P=(Fo²+2Fc²)/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_number_reflns         6584
_refine_ls_number_parameters     595
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0360
_refine_ls_R_factor_gt           0.0319
_refine_ls_wR_factor_ref         0.0839
_refine_ls_wR_factor_gt          0.0813
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.001
_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
Ag1 Ag 1.19695(3) 0.84129(3) -0.12940(2) 0.04765(11) Uani 1 1 d . . .
Ag2 Ag 0.70942(4) 0.73207(3) 0.27291(3) 0.05621(12) Uani 1 1 d . . .
Ag3 Ag 0.59605(4) 0.44368(3) 0.16630(3) 0.04979(11) Uani 1 1 d . . .
Ag4 Ag 0.07847(4) 0.39763(3) 0.56451(2) 0.05258(11) Uani 1 1 d . . .
O1 O 1.4122(4) 0.8417(3) -0.2801(3) 0.0730(11) Uani 1 1 d . . .
O2 O 1.4592(3) 0.7534(3) -0.4036(2) 0.0696(10) Uani 1 1 d . . .
O3 O 1.2901(3) 0.7638(3) -0.2803(2) 0.0633(9) Uani 1 1 d . . .
O4 O -0.0110(3) 0.4621(3) 0.7178(2) 0.0561(8) Uani 1 1 d . . .
O5 O -0.1084(4) 0.3515(3) 0.7395(3) 0.0656(9) Uani 1 1 d . . .
O6 O -0.1465(3) 0.4436(3) 0.8573(2) 0.0584(9) Uani 1 1 d . . .
O7 O 0.5560(5) 0.1485(5) 0.6410(4) 0.1129(18) Uani 1 1 d . . .
O8 O 0.7114(6) 0.0946(7) 0.6904(5) 0.166(3) Uani 1 1 d . . .
O9 O 0.5198(6) 0.1213(6) 0.7870(4) 0.135(2) Uani 1 1 d . . .
N1 N 1.3876(4) 0.7877(3) -0.3226(3) 0.0425(8) Uani 1 1 d . . .
N2 N 1.2324(3) 0.9490(3) -0.0403(2) 0.0361(7) Uani 1 1 d . . .
N3 N 1.0710(3) 0.8405(3) 0.0363(2) 0.0333(7) Uani 1 1 d . . .
N4 N 1.0438(3) 0.7477(3) -0.0901(2) 0.0389(8) Uani 1 1 d . . .
N5 N 0.8951(3) 0.8096(3) 0.1620(2) 0.0300(7) Uani 1 1 d . . .
N6 N 0.9889(3) 0.9224(3) 0.1851(2) 0.0331(7) Uani 1 1 d . . .
N7 N 0.7383(3) 0.8326(3) 0.3554(2) 0.0377(8) Uani 1 1 d . . .
N8 N 0.6879(4) 0.6022(4) 0.2274(3) 0.0554(10) Uani 1 1 d . . .
N9 N 0.5503(3) 0.3647(3) 0.0786(2) 0.0339(7) Uani 1 1 d . . .
N10 N 0.3816(3) 0.4119(3) 0.2666(2) 0.0324(7) Uani 1 1 d . . .
N11 N 0.2860(3) 0.2945(3) 0.2534(2) 0.0341(7) Uani 1 1 d . . .
N12 N 0.2115(3) 0.3808(3) 0.3992(2) 0.0373(8) Uani 1 1 d . . .
N13 N 0.2398(4) 0.4853(3) 0.5161(2) 0.0441(8) Uani 1 1 d . . .
N14 N 0.0425(3) 0.2814(3) 0.4856(2) 0.0379(8) Uani 1 1 d . . .
N15 N -0.0897(3) 0.4178(3) 0.7720(3) 0.0409(8) Uani 1 1 d . . .
N16 N 0.5985(4) 0.1179(4) 0.7095(3) 0.0602(11) Uani 1 1 d . . .
C1 C 1.3232(4) 0.9928(4) -0.0780(3) 0.0442(10) Uani 1 1 d . . .
H1 H 1.3673 0.9909 -0.1443 0.053 Uiso 1 1 calc R . .
C2 C 1.3543(4) 1.0408(4) -0.0227(4) 0.0505(11) Uani 1 1 d . . .
H2 H 1.4159 1.0725 -0.0515 0.061 Uiso 1 1 calc R . .
C3 C 1.2931(4) 1.0408(4) 0.0746(4) 0.0491(11) Uani 1 1 d . . .
H3 H 1.3148 1.0705 0.1132 0.059 Uiso 1 1 calc R . .
C4 C 1.1986(4) 0.9966(4) 0.1158(3) 0.0401(9) Uani 1 1 d . . .
H4 H 1.1550 0.9963 0.1821 0.048 Uiso 1 1 calc R . .
C5 C 1.1712(3) 0.9525(3) 0.0551(3) 0.0318(8) Uani 1 1 d . . .
C6 C 1.0708(3) 0.9025(3) 0.0955(3) 0.0292(8) Uani 1 1 d . . .
C7 C 0.9799(4) 0.7980(3) 0.0716(3) 0.0300(8) Uani 1 1 d . . .
C8 C 0.9738(4) 0.7365(3) 0.0024(3) 0.0323(8) Uani 1 1 d . . .
C9 C 1.0387(5) 0.6962(4) -0.1551(3) 0.0493(11) Uani 1 1 d . . .
H9 H 1.0869 0.7037 -0.2197 0.059 Uiso 1 1 calc R . .
C10 C 0.9660(5) 0.6331(4) -0.1311(3) 0.0494(11) Uani 1 1 d . . .
H10 H 0.9648 0.5990 -0.1785 0.059 Uiso 1 1 calc R . .
C11 C 0.8954(5) 0.6209(4) -0.0365(3) 0.0481(11) Uani 1 1 d . . .
H11 H 0.8457 0.5781 -0.0183 0.058 Uiso 1 1 calc R . .
C12 C 0.8993(5) 0.6738(4) 0.0320(3) 0.0475(11) Uani 1 1 d . . .
H12 H 0.8521 0.6669 0.0970 0.057 Uiso 1 1 calc R . .
C13 C 0.9045(3) 0.8720(3) 0.2160(3) 0.0285(8) Uani 1 1 d . . .
C14 C 0.8156(3) 0.8898(3) 0.3178(3) 0.0302(8) Uani 1 1 d . . .
C15 C 0.8130(4) 0.9645(3) 0.3713(3) 0.0390(9) Uani 1 1 d . . .
H15 H 0.8673 1.0034 0.3437 0.047 Uiso 1 1 calc R . .
C16 C 0.7292(4) 0.9811(4) 0.4661(3) 0.0449(10) Uani 1 1 d . . .
H16 H 0.7253 1.0315 0.5030 0.054 Uiso 1 1 calc R . .
C17 C 0.6521(4) 0.9208(4) 0.5039(3) 0.0474(11) Uani 1 1 d . . .
H17 H 0.5953 0.9291 0.5676 0.057 Uiso 1 1 calc R . .
C18 C 0.6593(4) 0.8488(4) 0.4474(3) 0.0448(10) Uani 1 1 d . . .
H18 H 0.6063 0.8086 0.4743 0.054 Uiso 1 1 calc R . .
C19 C 0.6646(4) 0.5414(4) 0.2023(3) 0.0438(10) Uani 1 1 d . . .
C20 C 0.6226(4) 0.3536(3) -0.0153(3) 0.0408(9) Uani 1 1 d . . .
H20 H 0.6911 0.3777 -0.0397 0.049 Uiso 1 1 calc R . .
C21 C 0.5997(4) 0.3080(4) -0.0772(3) 0.0455(10) Uani 1 1 d . . .
H21 H 0.6514 0.3021 -0.1422 0.055 Uiso 1 1 calc R . .
C22 C 0.4993(5) 0.2715(4) -0.0414(3) 0.0470(11) Uani 1 1 d . . .
H22 H 0.4823 0.2398 -0.0816 0.056 Uiso 1 1 calc R . .
C23 C 0.4238(4) 0.2827(4) 0.0555(3) 0.0404(9) Uani 1 1 d . . .
H23 H 0.3553 0.2586 0.0813 0.049 Uiso 1 1 calc R . .
C24 C 0.4511(4) 0.3301(3) 0.1137(3) 0.0314(8) Uani 1 1 d . . .
C25 C 0.3682(3) 0.3463(3) 0.2176(3) 0.0293(8) Uani 1 1 d . . .
C26 C 0.2996(4) 0.4262(3) 0.3583(3) 0.0331(8) Uani 1 1 d . . .
C27 C 0.3051(4) 0.4954(3) 0.4214(3) 0.0339(8) Uani 1 1 d . . .
C28 C 0.3734(4) 0.5641(4) 0.3859(3) 0.0480(11) Uani 1 1 d . . .
H28 H 0.4150 0.5717 0.3199 0.058 Uiso 1 1 calc R . .
C29 C 0.3788(5) 0.6214(4) 0.4498(4) 0.0556(12) Uani 1 1 d . . .
H29 H 0.4259 0.6667 0.4278 0.067 Uiso 1 1 calc R . .
C30 C 0.3139(5) 0.6103(4) 0.5461(4) 0.0548(12) Uani 1 1 d . . .
H30 H 0.3160 0.6479 0.5907 0.066 Uiso 1 1 calc R . .
C31 C 0.2456(5) 0.5429(4) 0.5757(3) 0.0520(12) Uani 1 1 d . . .
H31 H 0.2006 0.5369 0.6413 0.062 Uiso 1 1 calc R . .
C32 C 0.2096(4) 0.3140(3) 0.3447(3) 0.0345(8) Uani 1 1 d . . .
C33 C 0.1162(4) 0.2583(3) 0.3935(3) 0.0350(9) Uani 1 1 d . . .
C34 C 0.1102(5) 0.1844(4) 0.3444(3) 0.0537(12) Uani 1 1 d . . .
H34 H 0.1630 0.1693 0.2803 0.064 Uiso 1 1 calc R . .
C35 C 0.0222(6) 0.1334(5) 0.3945(4) 0.0637(14) Uani 1 1 d . . .
H35 H 0.0156 0.0833 0.3639 0.076 Uiso 1 1 calc R . .
C36 C -0.0537(5) 0.1572(4) 0.4883(4) 0.0562(12) Uani 1 1 d . . .
H36 H -0.1134 0.1243 0.5224 0.067 Uiso 1 1 calc R . .
C37 C -0.0402(4) 0.2311(4) 0.5315(3) 0.0456(10) Uani 1 1 d . . .
H37 H -0.0913 0.2467 0.5959 0.055 Uiso 1 1 calc R . .


_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 O3 2.331(3) . ?
Ag1 N3 2.362(3) . ?
Ag1 N2 2.409(3) . ?
Ag1 N4 2.482(3) . ?
Ag2 N8 2.125(4) . ?
Ag2 N7 2.209(3) . ?
Ag3 C19 2.060(4) . ?
Ag3 N9 2.192(3) . ?
Ag3 N10 2.600(3) . ?
Ag4 O4 2.298(3) . ?
Ag4 N12 2.369(3) . ?
Ag4 N14 2.393(3) . ?
Ag4 N13 2.489(4) . ?
Ag4 Ag4 3.2953(12) 2_566 ?
O1 N1 1.238(5) . ?
O2 N1 1.224(5) . ?
O3 N1 1.243(5) . ?
O4 N15 1.264(5) . ?
O5 N15 1.226(5) . ?
O6 N15 1.234(4) . ?
O7 N16 1.245(6) . ?
O8 N16 1.173(7) . ?
O9 N16 1.175(6) . ?
N2 C5 1.335(5) . ?
N2 C1 1.339(5) . ?
N3 C7 1.330(5) . ?
N3 C6 1.331(5) . ?
N4 C8 1.335(5) . ?
N4 C9 1.337(5) . ?
N5 C7 1.335(5) . ?
N5 C13 1.338(4) . ?
N6 C6 1.318(5) . ?
N6 C13 1.340(5) . ?
N7 C18 1.335(5) . ?
N7 C14 1.341(5) . ?
N8 C19 1.132(6) . ?
N9 C20 1.337(5) . ?
N9 C24 1.343(5) . ?
N10 C26 1.339(5) . ?
N10 C25 1.346(5) . ?
N11 C32 1.323(5) . ?
N11 C25 1.331(5) . ?
N12 C26 1.329(5) . ?
N12 C32 1.339(5) . ?
N13 C31 1.332(5) . ?
N13 C27 1.346(5) . ?
N14 C37 1.331(5) . ?
N14 C33 1.334(5) . ?
C1 C2 1.384(6) . ?
C1 H1 0.9300 . ?
C2 C3 1.359(7) . ?
C2 H2 0.9300 . ?
C3 C4 1.383(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.385(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.496(5) . ?
C7 C8 1.492(5) . ?
C8 C12 1.375(6) . ?
C9 C10 1.369(6) . ?
C9 H9 0.9300 . ?
C10 C11 1.364(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.388(6) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.482(5) . ?
C14 C15 1.382(5) . ?
C15 C16 1.382(6) . ?
C15 H15 0.9300 . ?
C16 C17 1.372(7) . ?
C16 H16 0.9300 . ?
C17 C18 1.358(6) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C20 C21 1.376(6) . ?
C20 H20 0.9300 . ?
C21 C22 1.373(6) . ?
C21 H21 0.9300 . ?
C22 C23 1.383(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.382(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.490(5) . ?
C26 C27 1.489(5) . ?
C27 C28 1.382(6) . ?
C28 C29 1.381(6) . ?
C28 H28 0.9300 . ?
C29 C30 1.366(7) . ?
C29 H29 0.9300 . ?
C30 C31 1.369(7) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C32 C33 1.489(6) . ?
C33 C34 1.383(6) . ?
C34 C35 1.396(7) . ?
C34 H34 0.9300 . ?
C35 C36 1.359(7) . ?
C35 H35 0.9300 . ?
C36 C37 1.379(7) . ?
C36 H36 0.9300 . ?
C37 H37 0.9300 . ?

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
O3 Ag1 N3 149.93(11) . . ?
O3 Ag1 N2 139.59(11) . . ?
N3 Ag1 N2 68.47(11) . . ?
O3 Ag1 N4 85.58(11) . . ?
N3 Ag1 N4 66.55(10) . . ?
N2 Ag1 N4 134.67(11) . . ?
N8 Ag2 N7 163.58(14) . . ?
C19 Ag3 N9 160.03(15) . . ?
C19 Ag3 N10 126.61(14) . . ?
N9 Ag3 N10 69.90(11) . . ?
O4 Ag4 N12 156.89(12) . . ?
O4 Ag4 N14 134.61(12) . . ?
N12 Ag4 N14 68.40(11) . . ?
O4 Ag4 N13 91.13(11) . . ?
N12 Ag4 N13 66.14(11) . . ?
N14 Ag4 N13 134.13(11) . . ?
O4 Ag4 Ag4 106.24(9) . 2_566 ?
N12 Ag4 Ag4 69.95(9) . 2_566 ?
N14 Ag4 Ag4 83.52(8) . 2_566 ?
N13 Ag4 Ag4 86.71(9) . 2_566 ?
N1 O3 Ag1 104.4(3) . . ?
N15 O4 Ag4 110.0(2) . . ?
O2 N1 O1 122.1(4) . . ?
O2 N1 O3 118.8(4) . . ?
O1 N1 O3 119.1(4) . . ?
C5 N2 C1 117.1(3) . . ?
C5 N2 Ag1 118.2(2) . . ?
C1 N2 Ag1 124.1(3) . . ?
C7 N3 C6 116.2(3) . . ?
C7 N3 Ag1 122.8(2) . . ?
C6 N3 Ag1 119.8(2) . . ?
C8 N4 C9 117.8(4) . . ?
C8 N4 Ag1 118.3(2) . . ?
C9 N4 Ag1 123.4(3) . . ?
C7 N5 C13 114.8(3) . . ?
C6 N6 C13 115.1(3) . . ?
C18 N7 C14 117.7(3) . . ?
C18 N7 Ag2 116.5(3) . . ?
C14 N7 Ag2 125.3(3) . . ?
C19 N8 Ag2 172.9(4) . . ?
C20 N9 C24 118.6(3) . . ?
C20 N9 Ag3 118.1(3) . . ?
C24 N9 Ag3 123.3(2) . . ?
C26 N10 C25 114.2(3) . . ?
C26 N10 Ag3 135.4(2) . . ?
C25 N10 Ag3 109.0(2) . . ?
C32 N11 C25 115.0(3) . . ?
C26 N12 C32 116.6(3) . . ?
C26 N12 Ag4 123.1(2) . . ?
C32 N12 Ag4 119.9(3) . . ?
C31 N13 C27 117.2(4) . . ?
C31 N13 Ag4 123.4(3) . . ?
C27 N13 Ag4 118.0(3) . . ?
C37 N14 C33 118.1(4) . . ?
C37 N14 Ag4 122.9(3) . . ?
C33 N14 Ag4 118.7(3) . . ?
O5 N15 O6 121.6(4) . . ?
O5 N15 O4 120.1(4) . . ?
O6 N15 O4 118.3(4) . . ?
O8 N16 O9 126.8(6) . . ?
O8 N16 O7 116.7(6) . . ?
O9 N16 O7 116.4(6) . . ?
N2 C1 C2 122.9(4) . . ?
N2 C1 H1 118.5 . . ?
C2 C1 H1 118.5 . . ?
C3 C2 C1 118.9(4) . . ?
C3 C2 H2 120.6 . . ?
C1 C2 H2 120.6 . . ?
C2 C3 C4 119.7(4) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C3 C4 C5 117.7(4) . . ?
C3 C4 H4 121.1 . . ?
C5 C4 H4 121.1 . . ?
N2 C5 C4 123.7(4) . . ?
N2 C5 C6 116.1(3) . . ?
C4 C5 C6 120.2(4) . . ?
N6 C6 N3 124.6(3) . . ?
N6 C6 C5 119.2(3) . . ?
N3 C6 C5 116.2(3) . . ?
N3 C7 N5 124.2(3) . . ?
N3 C7 C8 115.8(3) . . ?
N5 C7 C8 120.0(3) . . ?
N4 C8 C12 122.3(3) . . ?
N4 C8 C7 115.7(3) . . ?
C12 C8 C7 122.0(4) . . ?
N4 C9 C10 123.1(4) . . ?
N4 C9 H9 118.4 . . ?
C10 C9 H9 118.4 . . ?
C11 C10 C9 119.0(4) . . ?
C11 C10 H10 120.5 . . ?
C9 C10 H10 120.5 . . ?
C10 C11 C12 118.7(4) . . ?
C10 C11 H11 120.7 . . ?
C12 C11 H11 120.7 . . ?
C8 C12 C11 119.0(4) . . ?
C8 C12 H12 120.5 . . ?
C11 C12 H12 120.5 . . ?
N5 C13 N6 125.0(3) . . ?
N5 C13 C14 119.3(3) . . ?
N6 C13 C14 115.6(3) . . ?
N7 C14 C15 121.6(4) . . ?
N7 C14 C13 118.2(3) . . ?
C15 C14 C13 120.2(3) . . ?
C16 C15 C14 119.8(4) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C17 C16 C15 117.9(4) . . ?
C17 C16 H16 121.0 . . ?
C15 C16 H16 121.0 . . ?
C18 C17 C16 119.4(4) . . ?
C18 C17 H17 120.3 . . ?
C16 C17 H17 120.3 . . ?
N7 C18 C17 123.6(4) . . ?
N7 C18 H18 118.2 . . ?
C17 C18 H18 118.2 . . ?
N8 C19 Ag3 172.3(4) . . ?
N9 C20 C21 122.8(4) . . ?
N9 C20 H20 118.6 . . ?
C21 C20 H20 118.6 . . ?
C22 C21 C20 118.9(4) . . ?
C22 C21 H21 120.6 . . ?
C20 C21 H21 120.6 . . ?
C21 C22 C23 118.8(4) . . ?
C21 C22 H22 120.6 . . ?
C23 C22 H22 120.6 . . ?
C24 C23 C22 119.5(4) . . ?
C24 C23 H23 120.3 . . ?
C22 C23 H23 120.3 . . ?
N9 C24 C23 121.5(4) . . ?
N9 C24 C25 118.3(3) . . ?
C23 C24 C25 120.2(3) . . ?
N11 C25 N10 125.9(3) . . ?
N11 C25 C24 116.3(3) . . ?
N10 C25 C24 117.8(3) . . ?
N12 C26 N10 124.2(3) . . ?
N12 C26 C27 115.9(3) . . ?
N10 C26 C27 119.9(3) . . ?
N13 C27 C28 122.3(4) . . ?
N13 C27 C26 115.1(3) . . ?
C28 C27 C26 122.7(4) . . ?
C29 C28 C27 119.0(4) . . ?
C29 C28 H28 120.5 . . ?
C27 C28 H28 120.5 . . ?
C30 C29 C28 118.9(5) . . ?
C30 C29 H29 120.6 . . ?
C28 C29 H29 120.6 . . ?
C29 C30 C31 118.8(4) . . ?
C29 C30 H30 120.6 . . ?
C31 C30 H30 120.6 . . ?
N13 C31 C30 123.9(4) . . ?
N13 C31 H31 118.1 . . ?
C30 C31 H31 118.1 . . ?
N11 C32 N12 124.1(4) . . ?
N11 C32 C33 120.0(3) . . ?
N12 C32 C33 115.9(3) . . ?
N14 C33 C34 122.7(4) . . ?
N14 C33 C32 116.9(3) . . ?
C34 C33 C32 120.4(4) . . ?
C33 C34 C35 117.7(4) . . ?
C33 C34 H34 121.2 . . ?
C35 C34 H34 121.2 . . ?
C36 C35 C34 119.9(5) . . ?
C36 C35 H35 120.1 . . ?
C34 C35 H35 120.1 . . ?
C35 C36 C37 118.4(4) . . ?
C35 C36 H36 120.8 . . ?
C37 C36 H36 120.8 . . ?
N14 C37 C36 123.2(4) . . ?
N14 C37 H37 118.4 . . ?
C36 C37 H37 118.4 . . ?

_diffrn_measured_fraction_theta_max 0.948
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.948
_refine_diff_density_max         0.648
_refine_diff_density_min         -0.564
_refine_diff_density_rms         0.075


