# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

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

data_complex1
_database_code_depnum_ccdc_archive 'CCDC 1037042'
_audit_update_record             
;
2014-12-02 deposited with the CCDC.
2015-02-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C15 H20 Ag2 N6 O6, 2(H2 O)'
_chemical_formula_sum            'C15 H24 Ag2 N6 O8'
_chemical_formula_weight         632.14

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'
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P bca'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'

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'
'-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                   16.0866(9)
_cell_length_b                   12.8688(7)
_cell_length_c                   20.3039(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     4203.2(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    2142
_cell_measurement_theta_min      3.17
_cell_measurement_theta_max      27.50

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.998
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2512
_exptl_absorpt_coefficient_mu    1.920
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7118
_exptl_absorpt_correction_T_max  0.7749
_exptl_absorpt_process_details   
; 
CrysAlis Pro (Agilent, 2013)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm. 
;

_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.1954
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9777
_diffrn_reflns_av_R_equivalents  0.0275
_diffrn_reflns_av_sigmaI/netI    0.0412
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         3.15
_diffrn_reflns_theta_max         27.56
_reflns_number_total             4810
_reflns_number_gt                3681
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlis Pro (Agilent, 2013)
;
_computing_cell_refinement       
;
CrysAlis Pro (Agilent, 2013)
;
_computing_data_reduction        
;
CrysAlis Pro (Agilent, 2013)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    '(K. Brandenburg, Diamond 3.1, 2009)'
_computing_publication_material  '(K. Brandenburg, Diamond 3.1, 2009)'

_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)+(0.0410P)²+2.4019P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4810
_refine_ls_number_parameters     292
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0583
_refine_ls_R_factor_gt           0.0400
_refine_ls_wR_factor_ref         0.0982
_refine_ls_wR_factor_gt          0.0889
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_restrained_S_all      1.063
_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 0.57901(2) 0.66394(3) 0.823160(18) 0.04579(12) Uani 1 1 d . . .
Ag2 Ag 0.731114(18) 0.54588(2) 0.779030(17) 0.03587(11) Uani 1 1 d . . .
O1 O 0.5529(3) 0.8059(3) 0.9098(3) 0.0890(15) Uani 1 1 d . . .
O1W O 0.4296(4) 0.8528(5) 0.9949(4) 0.141(2) Uani 1 1 d G . .
H1W1 H 0.4326 0.9108 1.0148 0.211 Uiso 1 1 d R . .
H1W2 H 0.4715 0.8470 0.9696 0.211 Uiso 1 1 d R . .
O2 O 0.6373(3) 0.8840(3) 0.8468(2) 0.0843(13) Uani 1 1 d . . .
O2W O 0.3241(4) 0.8356(4) 0.8993(3) 0.127(2) Uani 1 1 d G . .
H2W1 H 0.3597 0.8355 0.9302 0.191 Uiso 1 1 d R . .
H2W2 H 0.3212 0.7748 0.8831 0.191 Uiso 1 1 d R . .
O3 O 0.5847(3) 0.9644(3) 0.9287(2) 0.0776(12) Uani 1 1 d . . .
O4 O 0.4272(2) 0.6473(4) 0.8579(2) 0.0742(12) Uani 1 1 d . . .
O5 O 0.3902(3) 0.5282(3) 0.7897(3) 0.0995(17) Uani 1 1 d . . .
O6 O 0.3004(2) 0.6290(4) 0.83232(19) 0.0723(12) Uani 1 1 d . . .
N1 N 0.5959(2) 0.6883(3) 0.71536(18) 0.0357(8) Uani 1 1 d . . .
N2 N 0.6387(2) 0.4485(3) 0.72679(17) 0.0315(7) Uani 1 1 d D . .
H2N H 0.665(2) 0.423(3) 0.6942(15) 0.047 Uiso 1 1 d D . .
N3 N 0.6974(2) 0.1257(3) 0.85736(18) 0.0338(8) Uani 1 1 d D . .
H3N H 0.669(2) 0.074(2) 0.873(2) 0.051 Uiso 1 1 d D . .
N4 N 0.8779(2) 0.0641(3) 0.90887(18) 0.0377(8) Uani 1 1 d . . .
N5 N 0.5917(3) 0.8847(3) 0.8963(2) 0.0483(10) Uani 1 1 d . . .
N6 N 0.3732(2) 0.5991(3) 0.8265(2) 0.0447(9) Uani 1 1 d . . .
C1 C 0.5889(2) 0.6104(3) 0.6715(2) 0.0368(10) Uani 1 1 d . . .
C2 C 0.5981(3) 0.6267(4) 0.6040(3) 0.0543(13) Uani 1 1 d . . .
H2A H 0.5918 0.5722 0.5744 0.065 Uiso 1 1 calc R . .
C3 C 0.6169(4) 0.7258(5) 0.5821(3) 0.0679(16) Uani 1 1 d . . .
H3A H 0.6238 0.7388 0.5373 0.081 Uiso 1 1 calc R . .
C4 C 0.6252(3) 0.8045(4) 0.6271(3) 0.0571(14) Uani 1 1 d . . .
H4A H 0.6379 0.8715 0.6132 0.069 Uiso 1 1 calc R . .
C5 C 0.6145(3) 0.7837(4) 0.6927(3) 0.0467(11) Uani 1 1 d . . .
H5A H 0.6204 0.8377 0.7227 0.056 Uiso 1 1 calc R . .
C6 C 0.5666(3) 0.5053(3) 0.6989(3) 0.0438(11) Uani 1 1 d . . .
H6A H 0.5250 0.5140 0.7330 0.053 Uiso 1 1 calc R . .
H6B H 0.5421 0.4637 0.6641 0.053 Uiso 1 1 calc R . .
C7 C 0.6071(3) 0.3581(3) 0.7643(2) 0.0353(9) Uani 1 1 d . . .
H7A H 0.5756 0.3138 0.7348 0.042 Uiso 1 1 calc R . .
H7B H 0.5694 0.3827 0.7981 0.042 Uiso 1 1 calc R . .
C8 C 0.6745(2) 0.2940(3) 0.7965(2) 0.0373(10) Uani 1 1 d . . .
H8A H 0.7064 0.3374 0.8263 0.045 Uiso 1 1 calc R . .
H8B H 0.7120 0.2675 0.7630 0.045 Uiso 1 1 calc R . .
C9 C 0.6366(2) 0.2039(3) 0.8344(2) 0.0360(10) Uani 1 1 d . . .
H9A H 0.6072 0.2313 0.8723 0.043 Uiso 1 1 calc R . .
H9B H 0.5961 0.1696 0.8064 0.043 Uiso 1 1 calc R . .
C10 C 0.7488(3) 0.1625(4) 0.9134(2) 0.0422(11) Uani 1 1 d . . .
H10A H 0.7129 0.1861 0.9487 0.051 Uiso 1 1 calc R . .
H10B H 0.7828 0.2206 0.8993 0.051 Uiso 1 1 calc R . .
C11 C 0.8037(3) 0.0766(3) 0.9380(2) 0.0372(9) Uani 1 1 d . . .
C12 C 0.7774(3) 0.0103(4) 0.9874(2) 0.0507(12) Uani 1 1 d . . .
H12A H 0.7263 0.0209 1.0078 0.061 Uiso 1 1 calc R . .
C13 C 0.8273(4) -0.0716(4) 1.0062(3) 0.0580(14) Uani 1 1 d . . .
H13A H 0.8097 -0.1179 1.0384 0.070 Uiso 1 1 calc R . .
C14 C 0.9035(3) -0.0840(4) 0.9767(3) 0.0547(13) Uani 1 1 d . . .
H14A H 0.9386 -0.1380 0.9890 0.066 Uiso 1 1 calc R . .
C15 C 0.9266(3) -0.0150(4) 0.9288(2) 0.0462(11) Uani 1 1 d . . .
H15A H 0.9784 -0.0231 0.9090 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 N1 2.228(4) . ?
Ag1 N4 2.272(4) 7_765 ?
Ag1 O4 2.551(4) . ?
Ag1 O1 2.571(5) . ?
Ag1 Ag2 3.0163(5) . ?
Ag2 N3 2.215(4) 7_765 ?
Ag2 N2 2.215(3) . ?
O1 N5 1.222(5) . ?
O1W H1W1 0.8499 . ?
O1W H1W2 0.8501 . ?
O2 N5 1.245(6) . ?
O2W H2W1 0.8500 . ?
O2W H2W2 0.8499 . ?
O3 N5 1.224(5) . ?
O4 N6 1.243(5) . ?
O5 N6 1.211(5) . ?
O6 N6 1.238(5) . ?
N1 C1 1.345(6) . ?
N1 C5 1.346(6) . ?
N2 C7 1.481(5) . ?
N2 C6 1.483(5) . ?
N2 H2N 0.85(4) . ?
N3 C9 1.478(5) . ?
N3 C10 1.483(6) . ?
N3 Ag2 2.215(4) 7_755 ?
N3 H3N 0.86(4) . ?
N4 C11 1.342(5) . ?
N4 C15 1.346(6) . ?
N4 Ag1 2.272(4) 7_755 ?
C1 C2 1.394(7) . ?
C1 C6 1.506(6) . ?
C2 C3 1.384(8) . ?
C2 H2A 0.9300 . ?
C3 C4 1.371(8) . ?
C3 H3A 0.9300 . ?
C4 C5 1.369(7) . ?
C4 H4A 0.9300 . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C8 1.510(6) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.520(6) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.501(6) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.383(6) . ?
C12 C13 1.379(7) . ?
C12 H12A 0.9300 . ?
C13 C14 1.373(8) . ?
C13 H13A 0.9300 . ?
C14 C15 1.369(7) . ?
C14 H14A 0.9300 . ?
C15 H15A 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
N1 Ag1 N4 142.66(12) . 7_765 ?
N1 Ag1 O4 113.59(13) . . ?
N4 Ag1 O4 91.87(13) 7_765 . ?
N1 Ag1 O1 126.33(14) . . ?
N4 Ag1 O1 85.84(15) 7_765 . ?
O4 Ag1 O1 73.39(14) . . ?
N1 Ag1 Ag2 71.33(9) . . ?
N4 Ag1 Ag2 72.25(9) 7_765 . ?
O4 Ag1 Ag2 144.73(11) . . ?
O1 Ag1 Ag2 133.92(11) . . ?
N3 Ag2 N2 162.67(13) 7_765 . ?
N3 Ag2 Ag1 88.51(9) 7_765 . ?
N2 Ag2 Ag1 83.26(9) . . ?
N5 O1 Ag1 110.7(4) . . ?
H1W1 O1W H1W2 108.7 . . ?
H2W1 O2W H2W2 108.6 . . ?
N6 O4 Ag1 124.7(3) . . ?
C1 N1 C5 118.2(4) . . ?
C1 N1 Ag1 122.3(3) . . ?
C5 N1 Ag1 119.5(3) . . ?
C7 N2 C6 108.4(3) . . ?
C7 N2 Ag2 115.4(3) . . ?
C6 N2 Ag2 115.4(3) . . ?
C7 N2 H2N 106(3) . . ?
C6 N2 H2N 107(3) . . ?
Ag2 N2 H2N 104(3) . . ?
C9 N3 C10 113.2(3) . . ?
C9 N3 Ag2 115.6(3) . 7_755 ?
C10 N3 Ag2 114.1(3) . 7_755 ?
C9 N3 H3N 107(3) . . ?
C10 N3 H3N 105(3) . . ?
Ag2 N3 H3N 100(3) 7_755 . ?
C11 N4 C15 118.4(4) . . ?
C11 N4 Ag1 122.8(3) . 7_755 ?
C15 N4 Ag1 118.7(3) . 7_755 ?
O1 N5 O3 121.8(5) . . ?
O1 N5 O2 118.4(5) . . ?
O3 N5 O2 119.7(5) . . ?
O5 N6 O6 120.5(5) . . ?
O5 N6 O4 122.2(5) . . ?
O6 N6 O4 117.2(5) . . ?
N1 C1 C2 121.9(4) . . ?
N1 C1 C6 116.4(4) . . ?
C2 C1 C6 121.6(5) . . ?
C3 C2 C1 118.6(5) . . ?
C3 C2 H2A 120.7 . . ?
C1 C2 H2A 120.7 . . ?
C4 C3 C2 119.2(5) . . ?
C4 C3 H3A 120.4 . . ?
C2 C3 H3A 120.4 . . ?
C5 C4 C3 119.4(5) . . ?
C5 C4 H4A 120.3 . . ?
C3 C4 H4A 120.3 . . ?
N1 C5 C4 122.6(5) . . ?
N1 C5 H5A 118.7 . . ?
C4 C5 H5A 118.7 . . ?
N2 C6 C1 113.4(3) . . ?
N2 C6 H6A 108.9 . . ?
C1 C6 H6A 108.9 . . ?
N2 C6 H6B 108.9 . . ?
C1 C6 H6B 108.9 . . ?
H6A C6 H6B 107.7 . . ?
N2 C7 C8 113.9(3) . . ?
N2 C7 H7A 108.8 . . ?
C8 C7 H7A 108.8 . . ?
N2 C7 H7B 108.8 . . ?
C8 C7 H7B 108.8 . . ?
H7A C7 H7B 107.7 . . ?
C7 C8 C9 110.3(3) . . ?
C7 C8 H8A 109.6 . . ?
C9 C8 H8A 109.6 . . ?
C7 C8 H8B 109.6 . . ?
C9 C8 H8B 109.6 . . ?
H8A C8 H8B 108.1 . . ?
N3 C9 C8 114.4(3) . . ?
N3 C9 H9A 108.6 . . ?
C8 C9 H9A 108.6 . . ?
N3 C9 H9B 108.6 . . ?
C8 C9 H9B 108.6 . . ?
H9A C9 H9B 107.6 . . ?
N3 C10 C11 110.4(4) . . ?
N3 C10 H10A 109.6 . . ?
C11 C10 H10A 109.6 . . ?
N3 C10 H10B 109.6 . . ?
C11 C10 H10B 109.6 . . ?
H10A C10 H10B 108.1 . . ?
N4 C11 C12 121.3(4) . . ?
N4 C11 C10 117.7(4) . . ?
C12 C11 C10 121.0(4) . . ?
C13 C12 C11 119.5(5) . . ?
C13 C12 H12A 120.2 . . ?
C11 C12 H12A 120.2 . . ?
C14 C13 C12 119.2(5) . . ?
C14 C13 H13A 120.4 . . ?
C12 C13 H13A 120.4 . . ?
C15 C14 C13 118.5(5) . . ?
C15 C14 H14A 120.7 . . ?
C13 C14 H14A 120.7 . . ?
N4 C15 C14 123.0(5) . . ?
N4 C15 H15A 118.5 . . ?
C14 C15 H15A 118.5 . . ?

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 Ag1 Ag2 N3 126.89(13) . . . 7_765 ?
N4 Ag1 Ag2 N3 -61.54(13) 7_765 . . 7_765 ?
O4 Ag1 Ag2 N3 -128.40(19) . . . 7_765 ?
O1 Ag1 Ag2 N3 4.01(17) . . . 7_765 ?
N1 Ag1 Ag2 N2 -68.39(13) . . . . ?
N4 Ag1 Ag2 N2 103.18(13) 7_765 . . . ?
O4 Ag1 Ag2 N2 36.32(19) . . . . ?
O1 Ag1 Ag2 N2 168.73(18) . . . . ?
N1 Ag1 O1 N5 -36.2(4) . . . . ?
N4 Ag1 O1 N5 123.2(4) 7_765 . . . ?
O4 Ag1 O1 N5 -143.6(4) . . . . ?
Ag2 Ag1 O1 N5 62.9(4) . . . . ?
N1 Ag1 O4 N6 40.2(4) . . . . ?
N4 Ag1 O4 N6 -111.8(4) 7_765 . . . ?
O1 Ag1 O4 N6 163.2(4) . . . . ?
Ag2 Ag1 O4 N6 -50.6(5) . . . . ?
N4 Ag1 N1 C1 52.1(4) 7_765 . . . ?
O4 Ag1 N1 C1 -77.0(3) . . . . ?
O1 Ag1 N1 C1 -163.2(3) . . . . ?
Ag2 Ag1 N1 C1 65.4(3) . . . . ?
N4 Ag1 N1 C5 -127.3(3) 7_765 . . . ?
O4 Ag1 N1 C5 103.6(3) . . . . ?
O1 Ag1 N1 C5 17.4(4) . . . . ?
Ag2 Ag1 N1 C5 -114.0(3) . . . . ?
N3 Ag2 N2 C7 -28.8(5) 7_765 . . . ?
Ag1 Ag2 N2 C7 -91.0(3) . . . . ?
N3 Ag2 N2 C6 99.0(5) 7_765 . . . ?
Ag1 Ag2 N2 C6 36.8(3) . . . . ?
Ag1 O1 N5 O3 175.5(4) . . . . ?
Ag1 O1 N5 O2 -2.0(6) . . . . ?
Ag1 O4 N6 O5 25.3(7) . . . . ?
Ag1 O4 N6 O6 -151.9(4) . . . . ?
C5 N1 C1 C2 -1.7(6) . . . . ?
Ag1 N1 C1 C2 178.8(3) . . . . ?
C5 N1 C1 C6 -179.0(4) . . . . ?
Ag1 N1 C1 C6 1.6(5) . . . . ?
N1 C1 C2 C3 1.5(7) . . . . ?
C6 C1 C2 C3 178.6(4) . . . . ?
C1 C2 C3 C4 -0.5(8) . . . . ?
C2 C3 C4 C5 -0.2(9) . . . . ?
C1 N1 C5 C4 1.1(7) . . . . ?
Ag1 N1 C5 C4 -179.5(4) . . . . ?
C3 C4 C5 N1 -0.1(8) . . . . ?
C7 N2 C6 C1 168.1(4) . . . . ?
Ag2 N2 C6 C1 37.0(5) . . . . ?
N1 C1 C6 N2 -81.1(5) . . . . ?
C2 C1 C6 N2 101.7(5) . . . . ?
C6 N2 C7 C8 -179.1(4) . . . . ?
Ag2 N2 C7 C8 -47.9(4) . . . . ?
N2 C7 C8 C9 179.4(4) . . . . ?
C10 N3 C9 C8 73.2(5) . . . . ?
Ag2 N3 C9 C8 -61.1(4) 7_755 . . . ?
C7 C8 C9 N3 169.3(4) . . . . ?
C9 N3 C10 C11 175.0(3) . . . . ?
Ag2 N3 C10 C11 -50.0(4) 7_755 . . . ?
C15 N4 C11 C12 0.0(6) . . . . ?
Ag1 N4 C11 C12 176.0(3) 7_755 . . . ?
C15 N4 C11 C10 -177.6(4) . . . . ?
Ag1 N4 C11 C10 -1.7(5) 7_755 . . . ?
N3 C10 C11 N4 87.1(5) . . . . ?
N3 C10 C11 C12 -90.6(5) . . . . ?
N4 C11 C12 C13 -1.5(7) . . . . ?
C10 C11 C12 C13 176.1(5) . . . . ?
C11 C12 C13 C14 1.9(8) . . . . ?
C12 C13 C14 C15 -0.9(8) . . . . ?
C11 N4 C15 C14 0.9(7) . . . . ?
Ag1 N4 C15 C14 -175.2(4) 7_755 . . . ?
C13 C14 C15 N4 -0.5(8) . . . . ?

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
O1W H1W1 O3 0.85 1.99 2.826(8) 166.8 5_677
O1W H1W2 O1 0.85 1.86 2.698(7) 167.3 .
O1W H1W2 O3 0.85 2.51 3.176(7) 136.3 .
O2W H2W1 O1W 0.85 1.74 2.589(9) 172.3 .
O2W H2W2 O6 0.85 2.17 3.011(7) 171.6 .
O2W H2W2 O4 0.85 2.42 3.055(7) 131.9 .
N2 H2N O2W 0.85(4) 2.21(2) 3.003(6) 154(4) 4_646
N3 H3N O3 0.86(4) 2.269(15) 3.114(6) 168(4) 1_545
N3 H3N O2 0.86(4) 2.56(3) 3.265(6) 140(4) 1_545

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        27.56
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         0.639
_refine_diff_density_min         -0.810
_refine_diff_density_rms         0.122
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_complex2
_database_code_depnum_ccdc_archive 'CCDC 1037043'
_audit_update_record             
;
2014-12-02 deposited with the CCDC.
2015-02-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C15 H20 Ag N4, Cl O4'
_chemical_formula_sum            'C15 H20 Ag Cl N4 O4'
_chemical_formula_weight         463.67

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'
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'

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

_cell_length_a                   9.7157(5)
_cell_length_b                   10.1084(4)
_cell_length_c                   19.1032(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.253(4)
_cell_angle_gamma                90.00
_cell_volume                     1870.97(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    1155
_cell_measurement_theta_min      3.52
_cell_measurement_theta_max      27.50

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.646
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             936
_exptl_absorpt_coefficient_mu    1.247
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8067
_exptl_absorpt_correction_T_max  0.8448
_exptl_absorpt_process_details   
; 
CrysAlis Pro (Agilent, 2013)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm. 
;

_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.1954
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            6438
_diffrn_reflns_av_R_equivalents  0.0286
_diffrn_reflns_av_sigmaI/netI    0.0652
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.52
_diffrn_reflns_theta_max         27.56
_reflns_number_total             4281
_reflns_number_gt                2274
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlis Pro (Agilent, 2013)
;
_computing_cell_refinement       
;
CrysAlis Pro (Agilent, 2013)
;
_computing_data_reduction        
;
CrysAlis Pro (Agilent, 2013)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    '(K. Brandenburg, Diamond 3.1, 2009)'
_computing_publication_material  '(K. Brandenburg, Diamond 3.1, 2009)'

_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)+(0.0621P)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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4281
_refine_ls_number_parameters     232
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.1145
_refine_ls_R_factor_gt           0.0567
_refine_ls_wR_factor_ref         0.1516
_refine_ls_wR_factor_gt          0.1267
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_restrained_S_all      1.008
_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 0.60743(5) 0.90392(5) 0.75850(2) 0.0752(2) Uani 1 1 d . . .
Cl1 Cl 0.29820(15) 0.70366(14) 0.57588(7) 0.0617(4) Uani 1 1 d . . .
O1 O 0.3454(6) 0.8258(6) 0.5514(3) 0.134(2) Uani 1 1 d . . .
O2 O 0.3663(6) 0.6820(8) 0.6410(3) 0.141(2) Uani 1 1 d . . .
O3 O 0.3282(7) 0.6034(6) 0.5282(3) 0.137(2) Uani 1 1 d . . .
O4 O 0.1568(5) 0.7124(6) 0.5832(3) 0.1181(19) Uani 1 1 d . . .
N1 N 0.4776(5) 1.0892(5) 0.7031(2) 0.0637(13) Uani 1 1 d . . .
N2 N 0.6289(4) 0.8967(4) 0.6414(2) 0.0518(11) Uani 1 1 d D . .
H2N H 0.551(3) 0.857(5) 0.635(3) 0.078 Uiso 1 1 d D . .
N3 N 0.8485(5) 0.4548(4) 0.6222(2) 0.0518(11) Uani 1 1 d D . .
H3N H 0.764(2) 0.430(6) 0.615(3) 0.078 Uiso 1 1 d D . .
N4 N 0.9795(5) 0.2258(4) 0.6775(2) 0.0609(12) Uani 1 1 d . . .
C1 C 0.5250(6) 1.1200(5) 0.6425(3) 0.0551(14) Uani 1 1 d . . .
C2 C 0.4805(7) 1.2325(6) 0.6057(3) 0.0798(19) Uani 1 1 d . . .
H2A H 0.5137 1.2512 0.5623 0.096 Uiso 1 1 calc R . .
C3 C 0.3882(8) 1.3151(7) 0.6333(5) 0.094(2) Uani 1 1 d . . .
H3A H 0.3597 1.3921 0.6098 0.113 Uiso 1 1 calc R . .
C4 C 0.3385(7) 1.2833(7) 0.6956(4) 0.086(2) Uani 1 1 d . . .
H4A H 0.2744 1.3373 0.7154 0.103 Uiso 1 1 calc R . .
C5 C 0.3847(6) 1.1701(7) 0.7286(3) 0.080(2) Uani 1 1 d . . .
H5A H 0.3497 1.1482 0.7711 0.096 Uiso 1 1 calc R . .
C6 C 0.6295(6) 1.0296(6) 0.6132(3) 0.0673(16) Uani 1 1 d . . .
H6A H 0.6116 1.0252 0.5626 0.081 Uiso 1 1 calc R . .
H6B H 0.7208 1.0673 0.6230 0.081 Uiso 1 1 calc R . .
C7 C 0.7311(6) 0.8140(6) 0.6104(3) 0.0637(15) Uani 1 1 d . . .
H7A H 0.8218 0.8524 0.6207 0.076 Uiso 1 1 calc R . .
H7B H 0.7124 0.8135 0.5598 0.076 Uiso 1 1 calc R . .
C8 C 0.7326(6) 0.6724(6) 0.6369(3) 0.0656(16) Uani 1 1 d . . .
H8A H 0.7531 0.6713 0.6873 0.079 Uiso 1 1 calc R . .
H8B H 0.6425 0.6325 0.6266 0.079 Uiso 1 1 calc R . .
C9 C 0.8386(7) 0.5954(5) 0.6023(3) 0.0635(15) Uani 1 1 d . . .
H9A H 0.8188 0.6010 0.5519 0.076 Uiso 1 1 calc R . .
H9B H 0.9278 0.6364 0.6134 0.076 Uiso 1 1 calc R . .
C10 C 0.9617(6) 0.3952(5) 0.5882(3) 0.0598(14) Uani 1 1 d . . .
H10A H 1.0434 0.4493 0.5977 0.072 Uiso 1 1 calc R . .
H10B H 0.9393 0.3957 0.5379 0.072 Uiso 1 1 calc R . .
C11 C 0.9944(6) 0.2577(5) 0.6107(3) 0.0531(13) Uani 1 1 d . . .
C12 C 1.0454(6) 0.1685(6) 0.5646(3) 0.0686(17) Uani 1 1 d . . .
H12A H 1.0518 0.1917 0.5178 0.082 Uiso 1 1 calc R . .
C13 C 1.0863(7) 0.0462(7) 0.5877(4) 0.084(2) Uani 1 1 d . . .
H13A H 1.1243 -0.0138 0.5576 0.101 Uiso 1 1 calc R . .
C14 C 1.0703(7) 0.0137(6) 0.6561(3) 0.0787(19) Uani 1 1 d . . .
H14A H 1.0954 -0.0697 0.6733 0.094 Uiso 1 1 calc R . .
C15 C 1.0176(8) 0.1045(6) 0.6982(3) 0.080(2) Uani 1 1 d . . .
H15A H 1.0072 0.0811 0.7446 0.096 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 N2 2.264(4) . ?
Ag1 N3 2.345(4) 2_656 ?
Ag1 N4 2.368(4) 2_656 ?
Ag1 N1 2.454(4) . ?
Cl1 O2 1.382(5) . ?
Cl1 O4 1.394(5) . ?
Cl1 O3 1.408(5) . ?
Cl1 O1 1.408(6) . ?
N1 C1 1.313(7) . ?
N1 C5 1.337(7) . ?
N2 C6 1.447(7) . ?
N2 C7 1.457(7) . ?
N2 H2N 0.86(8) . ?
N3 C10 1.449(7) . ?
N3 C9 1.472(7) . ?
N3 Ag1 2.345(4) 2_646 ?
N3 H3N 0.86(1) . ?
N4 C15 1.333(7) . ?
N4 C11 1.333(7) . ?
N4 Ag1 2.368(4) 2_646 ?
C1 C2 1.390(7) . ?
C1 C6 1.505(8) . ?
C2 C3 1.360(9) . ?
C2 H2A 0.9300 . ?
C3 C4 1.356(10) . ?
C3 H3A 0.9300 . ?
C4 C5 1.367(9) . ?
C4 H4A 0.9300 . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C8 1.519(8) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.485(8) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.483(7) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.378(7) . ?
C12 C13 1.361(9) . ?
C12 H12A 0.9300 . ?
C13 C14 1.369(9) . ?
C13 H13A 0.9300 . ?
C14 C15 1.346(8) . ?
C14 H14A 0.9300 . ?
C15 H15A 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
N2 Ag1 N3 160.79(16) . 2_656 ?
N2 Ag1 N4 123.27(15) . 2_656 ?
N3 Ag1 N4 73.21(14) 2_656 2_656 ?
N2 Ag1 N1 71.35(15) . . ?
N3 Ag1 N1 107.63(15) 2_656 . ?
N4 Ag1 N1 127.72(17) 2_656 . ?
O2 Cl1 O4 109.3(4) . . ?
O2 Cl1 O3 111.1(5) . . ?
O4 Cl1 O3 111.3(4) . . ?
O2 Cl1 O1 106.9(4) . . ?
O4 Cl1 O1 109.0(4) . . ?
O3 Cl1 O1 109.2(4) . . ?
C1 N1 C5 117.8(5) . . ?
C1 N1 Ag1 111.0(4) . . ?
C5 N1 Ag1 130.4(4) . . ?
C6 N2 C7 111.1(4) . . ?
C6 N2 Ag1 109.9(3) . . ?
C7 N2 Ag1 122.4(3) . . ?
C6 N2 H2N 114(4) . . ?
C7 N2 H2N 108(4) . . ?
Ag1 N2 H2N 90(4) . . ?
C10 N3 C9 108.9(5) . . ?
C10 N3 Ag1 104.7(3) . 2_646 ?
C9 N3 Ag1 117.8(3) . 2_646 ?
C10 N3 H3N 124(4) . . ?
C9 N3 H3N 101(4) . . ?
Ag1 N3 H3N 101(4) 2_646 . ?
C15 N4 C11 117.4(5) . . ?
C15 N4 Ag1 130.4(4) . 2_646 ?
C11 N4 Ag1 112.2(3) . 2_646 ?
N1 C1 C2 121.6(6) . . ?
N1 C1 C6 118.3(4) . . ?
C2 C1 C6 120.1(5) . . ?
C3 C2 C1 119.7(6) . . ?
C3 C2 H2A 120.2 . . ?
C1 C2 H2A 120.2 . . ?
C4 C3 C2 118.9(6) . . ?
C4 C3 H3A 120.6 . . ?
C2 C3 H3A 120.6 . . ?
C3 C4 C5 118.6(7) . . ?
C3 C4 H4A 120.7 . . ?
C5 C4 H4A 120.7 . . ?
N1 C5 C4 123.4(7) . . ?
N1 C5 H5A 118.3 . . ?
C4 C5 H5A 118.3 . . ?
N2 C6 C1 113.8(5) . . ?
N2 C6 H6A 108.8 . . ?
C1 C6 H6A 108.8 . . ?
N2 C6 H6B 108.8 . . ?
C1 C6 H6B 108.8 . . ?
H6A C6 H6B 107.7 . . ?
N2 C7 C8 113.3(5) . . ?
N2 C7 H7A 108.9 . . ?
C8 C7 H7A 108.9 . . ?
N2 C7 H7B 108.9 . . ?
C8 C7 H7B 108.9 . . ?
H7A C7 H7B 107.7 . . ?
C9 C8 C7 109.6(5) . . ?
C9 C8 H8A 109.7 . . ?
C7 C8 H8A 109.7 . . ?
C9 C8 H8B 109.7 . . ?
C7 C8 H8B 109.7 . . ?
H8A C8 H8B 108.2 . . ?
N3 C9 C8 115.2(5) . . ?
N3 C9 H9A 108.5 . . ?
C8 C9 H9A 108.5 . . ?
N3 C9 H9B 108.5 . . ?
C8 C9 H9B 108.5 . . ?
H9A C9 H9B 107.5 . . ?
N3 C10 C11 114.5(5) . . ?
N3 C10 H10A 108.6 . . ?
C11 C10 H10A 108.6 . . ?
N3 C10 H10B 108.6 . . ?
C11 C10 H10B 108.6 . . ?
H10A C10 H10B 107.6 . . ?
N4 C11 C12 121.5(5) . . ?
N4 C11 C10 117.9(5) . . ?
C12 C11 C10 120.5(5) . . ?
C13 C12 C11 119.8(6) . . ?
C13 C12 H12A 120.1 . . ?
C11 C12 H12A 120.1 . . ?
C12 C13 C14 118.4(6) . . ?
C12 C13 H13A 120.8 . . ?
C14 C13 H13A 120.8 . . ?
C15 C14 C13 118.9(6) . . ?
C15 C14 H14A 120.6 . . ?
C13 C14 H14A 120.6 . . ?
N4 C15 C14 124.0(6) . . ?
N4 C15 H15A 118.0 . . ?
C14 C15 H15A 118.0 . . ?

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
N2 Ag1 N1 C1 -23.4(4) . . . . ?
N3 Ag1 N1 C1 136.4(4) 2_656 . . . ?
N4 Ag1 N1 C1 -141.5(4) 2_656 . . . ?
N2 Ag1 N1 C5 166.9(6) . . . . ?
N3 Ag1 N1 C5 -33.3(6) 2_656 . . . ?
N4 Ag1 N1 C5 48.8(6) 2_656 . . . ?
N3 Ag1 N2 C6 -56.8(6) 2_656 . . . ?
N4 Ag1 N2 C6 156.8(3) 2_656 . . . ?
N1 Ag1 N2 C6 33.4(4) . . . . ?
N3 Ag1 N2 C7 76.3(7) 2_656 . . . ?
N4 Ag1 N2 C7 -70.1(4) 2_656 . . . ?
N1 Ag1 N2 C7 166.5(4) . . . . ?
C5 N1 C1 C2 -0.2(9) . . . . ?
Ag1 N1 C1 C2 -171.4(5) . . . . ?
C5 N1 C1 C6 -180.0(5) . . . . ?
Ag1 N1 C1 C6 8.9(6) . . . . ?
N1 C1 C2 C3 1.6(10) . . . . ?
C6 C1 C2 C3 -178.6(6) . . . . ?
C1 C2 C3 C4 -1.9(11) . . . . ?
C2 C3 C4 C5 0.8(11) . . . . ?
C1 N1 C5 C4 -1.0(10) . . . . ?
Ag1 N1 C5 C4 168.2(5) . . . . ?
C3 C4 C5 N1 0.6(11) . . . . ?
C7 N2 C6 C1 179.4(5) . . . . ?
Ag1 N2 C6 C1 -42.0(6) . . . . ?
N1 C1 C6 N2 21.4(8) . . . . ?
C2 C1 C6 N2 -158.4(5) . . . . ?
C6 N2 C7 C8 -178.7(5) . . . . ?
Ag1 N2 C7 C8 48.7(6) . . . . ?
N2 C7 C8 C9 179.6(5) . . . . ?
C10 N3 C9 C8 -176.2(5) . . . . ?
Ag1 N3 C9 C8 -57.3(6) 2_646 . . . ?
C7 C8 C9 N3 -178.6(5) . . . . ?
C9 N3 C10 C11 172.7(4) . . . . ?
Ag1 N3 C10 C11 45.9(5) 2_646 . . . ?
C15 N4 C11 C12 0.9(9) . . . . ?
Ag1 N4 C11 C12 179.2(4) 2_646 . . . ?
C15 N4 C11 C10 -175.8(6) . . . . ?
Ag1 N4 C11 C10 2.5(6) 2_646 . . . ?
N3 C10 C11 N4 -34.8(7) . . . . ?
N3 C10 C11 C12 148.5(5) . . . . ?
N4 C11 C12 C13 -2.3(9) . . . . ?
C10 C11 C12 C13 174.3(6) . . . . ?
C11 C12 C13 C14 2.5(10) . . . . ?
C12 C13 C14 C15 -1.4(11) . . . . ?
C11 N4 C15 C14 0.3(10) . . . . ?
Ag1 N4 C15 C14 -177.6(5) 2_646 . . . ?
C13 C14 C15 N4 -0.1(11) . . . . ?

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
N2 H2N O1 0.86(8) 2.49(4) 3.217(8) 144(5) .
N2 H2N O2 0.86(8) 2.53(2) 3.349(8) 161(5) .
N3 H3N O3 0.86(1) 2.84(1) 3.288(1) 114(2) 3_666
_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        27.56
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         0.702
_refine_diff_density_min         -0.674
_refine_diff_density_rms         0.078
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_complex3
_database_code_depnum_ccdc_archive 'CCDC 1037044'
_audit_update_record             
;
2014-12-02 deposited with the CCDC.
2015-02-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C15 H20 Ag N4, N O3'
_chemical_formula_sum            'C15 H20 Ag N5 O3'
_chemical_formula_weight         426.23

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'
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'

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

_cell_length_a                   10.1494(8)
_cell_length_b                   10.3138(7)
_cell_length_c                   17.0067(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 95.884(6)
_cell_angle_gamma                90.00
_cell_volume                     1770.8(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    1447
_cell_measurement_theta_min      3.14
_cell_measurement_theta_max      27.54

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.599
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             864
_exptl_absorpt_coefficient_mu    1.161
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7842
_exptl_absorpt_correction_T_max  0.8543
_exptl_absorpt_process_details   
; 
CrysAlis Pro (Agilent, 2013)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm. 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.1954
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            6426
_diffrn_reflns_av_R_equivalents  0.0210
_diffrn_reflns_av_sigmaI/netI    0.0417
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         3.11
_diffrn_reflns_theta_max         27.56
_reflns_number_total             4057
_reflns_number_gt                2870
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlis Pro (Agilent, 2013)
;
_computing_cell_refinement       
;
CrysAlis Pro (Agilent, 2013)
;
_computing_data_reduction        
;
CrysAlis Pro (Agilent, 2013)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    '(K. Brandenburg, Diamond 3.1, 2009)'
_computing_publication_material  '(K. Brandenburg, Diamond 3.1, 2009)'

_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)+(0.0332P)²+0.8865P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4057
_refine_ls_number_parameters     223
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0766
_refine_ls_R_factor_gt           0.0482
_refine_ls_wR_factor_ref         0.1013
_refine_ls_wR_factor_gt          0.0884
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_restrained_S_all      1.068
_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 0.49724(4) 0.76298(3) 0.399318(17) 0.05938(14) Uani 1 1 d . . .
O1 O 0.3822(4) -0.1301(4) 0.7251(3) 0.1170(15) Uani 1 1 d . . .
O2 O 0.5668(4) -0.2221(3) 0.7535(3) 0.1051(14) Uani 1 1 d . . .
O3 O 0.4070(4) -0.2554(3) 0.8247(2) 0.0954(12) Uani 1 1 d . . .
N1 N 0.3677(3) 0.6443(3) 0.47463(18) 0.0562(8) Uani 1 1 d . . .
N2 N 0.3952(3) 0.3571(3) 0.69411(17) 0.0430(7) Uani 1 1 d D . .
H2N H 0.3164(18) 0.326(4) 0.690(2) 0.065 Uiso 1 1 d D . .
N3 N 0.5881(3) 0.0887(3) 0.69844(17) 0.0461(7) Uani 1 1 d D . .
H3N H 0.529(3) 0.029(3) 0.689(2) 0.069 Uiso 1 1 d D . .
N4 N 0.6507(3) -0.1095(3) 0.48035(19) 0.0602(9) Uani 1 1 d . . .
N5 N 0.4539(4) -0.2017(3) 0.7690(2) 0.0631(9) Uani 1 1 d . . .
C1 C 0.4075(4) 0.6099(3) 0.5488(2) 0.0510(9) Uani 1 1 d . . .
H1A H 0.4871 0.6438 0.5720 0.061 Uiso 1 1 calc R . .
C2 C 0.3383(4) 0.5275(3) 0.5934(2) 0.0442(8) Uani 1 1 d . . .
C3 C 0.2216(5) 0.4770(5) 0.5584(2) 0.0720(13) Uani 1 1 d . . .
H3A H 0.1725 0.4195 0.5857 0.086 Uiso 1 1 calc R . .
C4 C 0.1787(5) 0.5129(5) 0.4820(3) 0.0889(16) Uani 1 1 d . . .
H4A H 0.0991 0.4809 0.4576 0.107 Uiso 1 1 calc R . .
C5 C 0.2537(5) 0.5959(5) 0.4424(2) 0.0712(13) Uani 1 1 d . . .
H5A H 0.2236 0.6193 0.3908 0.085 Uiso 1 1 calc R . .
C6 C 0.3903(4) 0.4973(3) 0.6774(2) 0.0520(9) Uani 1 1 d . . .
H6A H 0.4787 0.5332 0.6881 0.062 Uiso 1 1 calc R . .
H6B H 0.3342 0.5390 0.7128 0.062 Uiso 1 1 calc R . .
C7 C 0.4456(4) 0.3355(4) 0.7775(2) 0.0540(10) Uani 1 1 d . . .
H7A H 0.3854 0.3758 0.8109 0.065 Uiso 1 1 calc R . .
H7B H 0.5309 0.3779 0.7879 0.065 Uiso 1 1 calc R . .
C8 C 0.4610(5) 0.1946(4) 0.7997(2) 0.0618(11) Uani 1 1 d . . .
H8A H 0.3869 0.1472 0.7729 0.074 Uiso 1 1 calc R . .
H8B H 0.4552 0.1868 0.8560 0.074 Uiso 1 1 calc R . .
C9 C 0.5878(5) 0.1299(4) 0.7806(2) 0.0669(12) Uani 1 1 d . . .
H9A H 0.6607 0.1897 0.7932 0.080 Uiso 1 1 calc R . .
H9B H 0.6037 0.0547 0.8145 0.080 Uiso 1 1 calc R . .
C10 C 0.7169(4) 0.0303(4) 0.6854(2) 0.0511(9) Uani 1 1 d . . .
H10A H 0.7279 -0.0500 0.7150 0.061 Uiso 1 1 calc R . .
H10B H 0.7874 0.0887 0.7054 0.061 Uiso 1 1 calc R . .
C11 C 0.6454(4) -0.0819(4) 0.5568(2) 0.0537(10) Uani 1 1 d . . .
H11A H 0.5805 -0.1229 0.5826 0.064 Uiso 1 1 calc R . .
C12 C 0.7293(4) 0.0029(3) 0.6002(2) 0.0433(8) Uani 1 1 d . . .
C13 C 0.8238(4) 0.0637(4) 0.5613(2) 0.0661(12) Uani 1 1 d . . .
H13A H 0.8828 0.1216 0.5881 0.079 Uiso 1 1 calc R . .
C14 C 0.8308(5) 0.0385(5) 0.4823(3) 0.0845(15) Uani 1 1 d . . .
H14A H 0.8937 0.0797 0.4549 0.101 Uiso 1 1 calc R . .
C15 C 0.7437(5) -0.0482(5) 0.4447(2) 0.0711(13) Uani 1 1 d . . .
H15A H 0.7497 -0.0651 0.3915 0.085 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 N1 2.283(3) . ?
Ag1 N3 2.358(3) 3_666 ?
Ag1 N2 2.367(3) 3_666 ?
Ag1 N4 2.369(3) 1_565 ?
O1 N5 1.234(5) . ?
O2 N5 1.219(5) . ?
O3 N5 1.235(5) . ?
N1 C5 1.326(5) . ?
N1 C1 1.332(4) . ?
N2 C6 1.474(4) . ?
N2 C7 1.474(4) . ?
N2 Ag1 2.367(3) 3_666 ?
N2 H2N 0.86(5) . ?
N3 C9 1.461(4) . ?
N3 C10 1.477(5) . ?
N3 Ag1 2.358(3) 3_666 ?
N3 H3N 0.86(5) . ?
N4 C15 1.332(5) . ?
N4 C11 1.337(4) . ?
N4 Ag1 2.369(3) 1_545 ?
C1 C2 1.379(5) . ?
C1 H1A 0.9300 . ?
C2 C3 1.373(5) . ?
C2 C6 1.504(5) . ?
C3 C4 1.377(6) . ?
C3 H3A 0.9300 . ?
C4 C5 1.369(6) . ?
C4 H4A 0.9300 . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C8 1.505(5) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.514(6) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C12 1.494(5) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.381(5) . ?
C11 H11A 0.9300 . ?
C12 C13 1.372(5) . ?
C13 C14 1.378(6) . ?
C13 H13A 0.9300 . ?
C14 C15 1.369(6) . ?
C14 H14A 0.9300 . ?
C15 H15A 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
N1 Ag1 N3 123.55(12) . 3_666 ?
N1 Ag1 N2 115.31(11) . 3_666 ?
N3 Ag1 N2 91.56(10) 3_666 3_666 ?
N1 Ag1 N4 110.69(12) . 1_565 ?
N3 Ag1 N4 102.83(11) 3_666 1_565 ?
N2 Ag1 N4 111.09(11) 3_666 1_565 ?
C5 N1 C1 117.3(3) . . ?
C5 N1 Ag1 119.8(3) . . ?
C1 N1 Ag1 122.5(3) . . ?
C6 N2 C7 109.6(3) . . ?
C6 N2 Ag1 113.1(2) . 3_666 ?
C7 N2 Ag1 115.4(2) . 3_666 ?
C6 N2 H2N 110(3) . . ?
C7 N2 H2N 104(3) . . ?
Ag1 N2 H2N 104(3) 3_666 . ?
C9 N3 C10 110.5(3) . . ?
C9 N3 Ag1 116.7(2) . 3_666 ?
C10 N3 Ag1 115.2(2) . 3_666 ?
C9 N3 H3N 109(3) . . ?
C10 N3 H3N 107(3) . . ?
Ag1 N3 H3N 97(3) 3_666 . ?
C15 N4 C11 116.2(4) . . ?
C15 N4 Ag1 117.0(3) . 1_545 ?
C11 N4 Ag1 126.5(3) . 1_545 ?
O2 N5 O1 118.8(4) . . ?
O2 N5 O3 122.2(4) . . ?
O1 N5 O3 118.8(4) . . ?
N1 C1 C2 124.3(4) . . ?
N1 C1 H1A 117.9 . . ?
C2 C1 H1A 117.9 . . ?
C3 C2 C1 117.4(3) . . ?
C3 C2 C6 122.5(3) . . ?
C1 C2 C6 120.1(3) . . ?
C2 C3 C4 118.9(4) . . ?
C2 C3 H3A 120.5 . . ?
C4 C3 H3A 120.5 . . ?
C5 C4 C3 119.6(4) . . ?
C5 C4 H4A 120.2 . . ?
C3 C4 H4A 120.2 . . ?
N1 C5 C4 122.5(4) . . ?
N1 C5 H5A 118.7 . . ?
C4 C5 H5A 118.7 . . ?
N2 C6 C2 112.8(3) . . ?
N2 C6 H6A 109.0 . . ?
C2 C6 H6A 109.0 . . ?
N2 C6 H6B 109.0 . . ?
C2 C6 H6B 109.0 . . ?
H6A C6 H6B 107.8 . . ?
N2 C7 C8 113.8(3) . . ?
N2 C7 H7A 108.8 . . ?
C8 C7 H7A 108.8 . . ?
N2 C7 H7B 108.8 . . ?
C8 C7 H7B 108.8 . . ?
H7A C7 H7B 107.7 . . ?
C7 C8 C9 116.1(3) . . ?
C7 C8 H8A 108.3 . . ?
C9 C8 H8A 108.3 . . ?
C7 C8 H8B 108.3 . . ?
C9 C8 H8B 108.3 . . ?
H8A C8 H8B 107.4 . . ?
N3 C9 C8 114.7(4) . . ?
N3 C9 H9A 108.6 . . ?
C8 C9 H9A 108.6 . . ?
N3 C9 H9B 108.6 . . ?
C8 C9 H9B 108.6 . . ?
H9A C9 H9B 107.6 . . ?
N3 C10 C12 112.7(3) . . ?
N3 C10 H10A 109.0 . . ?
C12 C10 H10A 109.0 . . ?
N3 C10 H10B 109.0 . . ?
C12 C10 H10B 109.0 . . ?
H10A C10 H10B 107.8 . . ?
N4 C11 C12 124.8(4) . . ?
N4 C11 H11A 117.6 . . ?
C12 C11 H11A 117.6 . . ?
C13 C12 C11 117.1(3) . . ?
C13 C12 C10 120.9(3) . . ?
C11 C12 C10 122.0(3) . . ?
C12 C13 C14 119.5(4) . . ?
C12 C13 H13A 120.3 . . ?
C14 C13 H13A 120.3 . . ?
C15 C14 C13 118.9(4) . . ?
C15 C14 H14A 120.6 . . ?
C13 C14 H14A 120.6 . . ?
N4 C15 C14 123.5(4) . . ?
N4 C15 H15A 118.2 . . ?
C14 C15 H15A 118.2 . . ?

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
N3 Ag1 N1 C5 38.7(4) 3_666 . . . ?
N2 Ag1 N1 C5 -71.8(4) 3_666 . . . ?
N4 Ag1 N1 C5 161.0(3) 1_565 . . . ?
N3 Ag1 N1 C1 -148.1(3) 3_666 . . . ?
N2 Ag1 N1 C1 101.4(3) 3_666 . . . ?
N4 Ag1 N1 C1 -25.7(3) 1_565 . . . ?
C5 N1 C1 C2 0.3(6) . . . . ?
Ag1 N1 C1 C2 -173.1(3) . . . . ?
N1 C1 C2 C3 0.7(6) . . . . ?
N1 C1 C2 C6 -178.6(3) . . . . ?
C1 C2 C3 C4 -1.4(7) . . . . ?
C6 C2 C3 C4 177.8(4) . . . . ?
C2 C3 C4 C5 1.1(8) . . . . ?
C1 N1 C5 C4 -0.7(7) . . . . ?
Ag1 N1 C5 C4 173.0(4) . . . . ?
C3 C4 C5 N1 -0.1(8) . . . . ?
C7 N2 C6 C2 -179.4(3) . . . . ?
Ag1 N2 C6 C2 50.4(4) 3_666 . . . ?
C3 C2 C6 N2 51.3(5) . . . . ?
C1 C2 C6 N2 -129.5(4) . . . . ?
C6 N2 C7 C8 -177.1(3) . . . . ?
Ag1 N2 C7 C8 -48.1(4) 3_666 . . . ?
N2 C7 C8 C9 83.1(5) . . . . ?
C10 N3 C9 C8 178.4(3) . . . . ?
Ag1 N3 C9 C8 44.2(5) 3_666 . . . ?
C7 C8 C9 N3 -80.6(5) . . . . ?
C9 N3 C10 C12 -172.2(3) . . . . ?
Ag1 N3 C10 C12 -37.3(4) 3_666 . . . ?
C15 N4 C11 C12 -0.8(6) . . . . ?
Ag1 N4 C11 C12 -173.4(3) 1_545 . . . ?
N4 C11 C12 C13 0.6(6) . . . . ?
N4 C11 C12 C10 179.4(4) . . . . ?
N3 C10 C12 C13 117.2(4) . . . . ?
N3 C10 C12 C11 -61.5(5) . . . . ?
C11 C12 C13 C14 0.2(6) . . . . ?
C10 C12 C13 C14 -178.6(4) . . . . ?
C12 C13 C14 C15 -0.7(7) . . . . ?
C11 N4 C15 C14 0.2(7) . . . . ?
Ag1 N4 C15 C14 173.5(4) 1_545 . . . ?
C13 C14 C15 N4 0.6(8) . . . . ?

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
N2 H2N O3 0.86(5) 2.408(12) 3.264(5) 178(4) 2_556
N2 H2N O1 0.86(5) 2.63(3) 3.260(5) 131(3) 2_556
N3 H3N O1 0.86(5) 2.35(2) 3.140(5) 154(4) .

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        27.56
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         0.502
_refine_diff_density_min         -0.614
_refine_diff_density_rms         0.068
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_dcomplex4
_database_code_depnum_ccdc_archive 'CCDC 1037045'
_audit_update_record             
;
2014-12-02 deposited with the CCDC.
2015-02-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C15 H20 Ag N4, Cl O4'
_chemical_formula_sum            'C15 H20 Ag Cl N4 O4'
_chemical_formula_weight         463.67

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'
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'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'

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

_cell_length_a                   9.8204(5)
_cell_length_b                   11.0676(4)
_cell_length_c                   17.5147(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.162(3)
_cell_angle_gamma                90.00
_cell_volume                     1900.74(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    1394
_cell_measurement_theta_min      2.97
_cell_measurement_theta_max      27.56

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.620
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             936
_exptl_absorpt_coefficient_mu    1.227
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8003
_exptl_absorpt_correction_T_max  0.8667
_exptl_absorpt_process_details   
; 
CrysAlis Pro (Agilent, 2013)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm. 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.1954
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7159
_diffrn_reflns_av_R_equivalents  0.0210
_diffrn_reflns_av_sigmaI/netI    0.0413
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.97
_diffrn_reflns_theta_max         27.56
_reflns_number_total             4352
_reflns_number_gt                2659
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlis Pro (Agilent, 2013)
;
_computing_cell_refinement       
;
CrysAlis Pro (Agilent, 2013)
;
_computing_data_reduction        
;
CrysAlis Pro (Agilent, 2013)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    '(K. Brandenburg, Diamond 3.1, 2009)'
_computing_publication_material  '(K. Brandenburg, Diamond 3.1, 2009)'

_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)+(0.0578P)²+1.4787P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4352
_refine_ls_number_parameters     245
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0927
_refine_ls_R_factor_gt           0.0519
_refine_ls_wR_factor_ref         0.1441
_refine_ls_wR_factor_gt          0.1190
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.020
_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 0.52040(5) 0.24016(4) 0.59211(2) 0.0744(2) Uani 1 1 d . . .
Cl1 Cl 0.96647(15) 0.70926(12) 0.26582(7) 0.0651(3) Uani 1 1 d . . .
O1 O 0.8927(9) 0.6071(7) 0.2399(7) 0.141(4) Uani 0.639(5) 1 d P A 1
O1' O 0.9554(18) 0.5942(14) 0.3034(13) 0.141(4) Uani 0.361(5) 1 d P A 2
O2 O 1.0424(10) 0.7624(7) 0.2078(5) 0.118(2) Uani 0.639(5) 1 d P A 1
O2' O 0.9066(17) 0.7012(15) 0.1930(8) 0.118(2) Uani 0.361(5) 1 d P A 2
O3 O 1.0729(14) 0.6752(12) 0.3195(6) 0.178(5) Uani 0.639(5) 1 d P A 1
O3' O 1.103(3) 0.725(2) 0.2665(14) 0.178(5) Uani 0.361(5) 1 d P A 2
O4 O 0.880(3) 0.8040(15) 0.2941(11) 0.100(4) Uani 0.639(5) 1 d P A 1
O4' O 0.898(6) 0.777(3) 0.314(2) 0.100(4) Uani 0.361(5) 1 d P A 2
N1 N 0.6425(5) 0.3726(4) 0.5245(2) 0.0703(12) Uani 1 1 d . . .
N2 N 0.5993(4) 0.6503(3) 0.31425(19) 0.0539(9) Uani 1 1 d D . .
H2N H 0.680(2) 0.679(5) 0.317(3) 0.081 Uiso 1 1 d D . .
N3 N 0.4079(4) 0.9016(3) 0.3131(2) 0.0568(10) Uani 1 1 d D . .
H3N H 0.477(4) 0.950(4) 0.319(3) 0.085 Uiso 1 1 d D . .
N4 N 0.3566(5) 1.1120(4) 0.5230(2) 0.0697(11) Uani 1 1 d . . .
C1 C 0.6055(5) 0.4049(4) 0.4528(2) 0.0605(12) Uani 1 1 d . . .
H1A H 0.5339 0.3626 0.4283 0.073 Uiso 1 1 calc R . .
C2 C 0.6642(6) 0.4948(4) 0.4125(3) 0.0605(12) Uani 1 1 d . . .
C3 C 0.7691(8) 0.5559(7) 0.4492(3) 0.109(2) Uani 1 1 d . . .
H3A H 0.8134 0.6176 0.4243 0.131 Uiso 1 1 calc R . .
C4 C 0.8091(9) 0.5252(8) 0.5236(4) 0.145(4) Uani 1 1 d . . .
H4A H 0.8788 0.5674 0.5500 0.174 Uiso 1 1 calc R . .
C5 C 0.7446(8) 0.4319(7) 0.5578(3) 0.107(2) Uani 1 1 d . . .
H5A H 0.7747 0.4095 0.6070 0.128 Uiso 1 1 calc R . .
C6 C 0.6151(6) 0.5213(4) 0.3317(2) 0.0650(14) Uani 1 1 d . . .
H6A H 0.6791 0.4867 0.2976 0.078 Uiso 1 1 calc R . .
H6B H 0.5280 0.4816 0.3215 0.078 Uiso 1 1 calc R . .
C7 C 0.5482(6) 0.6670(4) 0.2347(2) 0.0697(15) Uani 1 1 d . . .
H7A H 0.4612 0.6260 0.2273 0.084 Uiso 1 1 calc R . .
H7B H 0.6112 0.6287 0.2014 0.084 Uiso 1 1 calc R . .
C8 C 0.5299(6) 0.7974(5) 0.2106(3) 0.0695(14) Uani 1 1 d . . .
H8A H 0.6069 0.8433 0.2323 0.083 Uiso 1 1 calc R . .
H8B H 0.5332 0.8014 0.1554 0.083 Uiso 1 1 calc R . .
C9 C 0.4006(6) 0.8586(5) 0.2329(2) 0.0675(14) Uani 1 1 d . . .
H9A H 0.3819 0.9268 0.1992 0.081 Uiso 1 1 calc R . .
H9B H 0.3253 0.8022 0.2258 0.081 Uiso 1 1 calc R . .
C10 C 0.2844(5) 0.9710(4) 0.3289(2) 0.0627(13) Uani 1 1 d . . .
H10A H 0.2044 0.9251 0.3116 0.075 Uiso 1 1 calc R . .
H10B H 0.2840 1.0461 0.3003 0.075 Uiso 1 1 calc R . .
C11 C 0.3571(6) 1.0858(4) 0.4486(3) 0.0633(13) Uani 1 1 d . . .
H11A H 0.4154 1.1296 0.4190 0.076 Uiso 1 1 calc R . .
C12 C 0.2773(5) 0.9986(4) 0.4129(3) 0.0578(12) Uani 1 1 d . . .
C13 C 0.1926(7) 0.9335(6) 0.4569(3) 0.094(2) Uani 1 1 d . . .
H13A H 0.1366 0.8736 0.4351 0.112 Uiso 1 1 calc R . .
C14 C 0.1920(8) 0.9585(7) 0.5337(3) 0.120(3) Uani 1 1 d . . .
H14A H 0.1375 0.9136 0.5649 0.144 Uiso 1 1 calc R . .
C15 C 0.2717(7) 1.0494(6) 0.5640(3) 0.092(2) Uani 1 1 d . . .
H15A H 0.2662 1.0682 0.6155 0.111 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 N1 2.268(4) . ?
Ag1 N3 2.363(4) 3_666 ?
Ag1 N2 2.399(4) 3_666 ?
Ag1 N4 2.419(4) 1_545 ?
Cl1 O4' 1.33(4) . ?
Cl1 O3' 1.35(3) . ?
Cl1 O2' 1.377(16) . ?
Cl1 O1 1.405(8) . ?
Cl1 O3 1.417(10) . ?
Cl1 O2 1.421(7) . ?
Cl1 O1' 1.440(19) . ?
Cl1 O4 1.45(2) . ?
N1 C5 1.308(7) . ?
N1 C1 1.336(6) . ?
N2 C6 1.467(6) . ?
N2 C7 1.467(6) . ?
N2 Ag1 2.399(4) 3_666 ?
N2 H2N 0.85(3) . ?
N3 C10 1.474(6) . ?
N3 C9 1.482(5) . ?
N3 Ag1 2.363(4) 3_666 ?
N3 H3N 0.86(3) . ?
N4 C15 1.326(7) . ?
N4 C11 1.335(5) . ?
N4 Ag1 2.419(4) 1_565 ?
C1 C2 1.365(6) . ?
C1 H1A 0.9300 . ?
C2 C3 1.364(8) . ?
C2 C6 1.499(6) . ?
C3 C4 1.383(8) . ?
C3 H3A 0.9300 . ?
C4 C5 1.367(9) . ?
C4 H4A 0.9300 . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C8 1.511(7) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.510(7) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C12 1.508(6) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.371(6) . ?
C11 H11A 0.9300 . ?
C12 C13 1.369(7) . ?
C13 C14 1.374(8) . ?
C13 H13A 0.9300 . ?
C14 C15 1.364(9) . ?
C14 H14A 0.9300 . ?
C15 H15A 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
N1 Ag1 N3 130.56(15) . 3_666 ?
N1 Ag1 N2 108.88(14) . 3_666 ?
N3 Ag1 N2 89.64(13) 3_666 3_666 ?
N1 Ag1 N4 118.28(15) . 1_545 ?
N3 Ag1 N4 97.25(14) 3_666 1_545 ?
N2 Ag1 N4 107.53(14) 3_666 1_545 ?
O4' Cl1 O3' 117(3) . . ?
O4' Cl1 O2' 115(2) . . ?
O3' Cl1 O2' 112.9(12) . . ?
O4' Cl1 O1 113(2) . . ?
O3' Cl1 O1 126.9(10) . . ?
O2' Cl1 O1 57.5(7) . . ?
O4' Cl1 O3 96(2) . . ?
O3' Cl1 O3 48.2(10) . . ?
O2' Cl1 O3 149.1(8) . . ?
O1 Cl1 O3 110.4(7) . . ?
O4' Cl1 O2 121.3(15) . . ?
O3' Cl1 O2 52.7(10) . . ?
O2' Cl1 O2 65.1(7) . . ?
O1 Cl1 O2 112.6(6) . . ?
O3 Cl1 O2 100.8(7) . . ?
O4' Cl1 O1' 98.9(14) . . ?
O3' Cl1 O1' 102.1(12) . . ?
O2' Cl1 O1' 109.1(10) . . ?
O1 Cl1 O1' 52.1(7) . . ?
O3 Cl1 O1' 62.2(8) . . ?
O2 Cl1 O1' 138.5(8) . . ?
O3' Cl1 O4 120.1(15) . . ?
O2' Cl1 O4 97.8(11) . . ?
O1 Cl1 O4 113.0(12) . . ?
O3 Cl1 O4 112.9(10) . . ?
O2 Cl1 O4 106.5(7) . . ?
O1' Cl1 O4 114.9(9) . . ?
C5 N1 C1 116.5(5) . . ?
C5 N1 Ag1 120.4(4) . . ?
C1 N1 Ag1 122.6(4) . . ?
C6 N2 C7 110.4(4) . . ?
C6 N2 Ag1 113.5(3) . 3_666 ?
C7 N2 Ag1 115.5(3) . 3_666 ?
C6 N2 H2N 105(4) . . ?
C7 N2 H2N 106(4) . . ?
Ag1 N2 H2N 105(4) 3_666 . ?
C10 N3 C9 110.3(4) . . ?
C10 N3 Ag1 115.5(3) . 3_666 ?
C9 N3 Ag1 116.7(3) . 3_666 ?
C10 N3 H3N 108(4) . . ?
C9 N3 H3N 108(4) . . ?
Ag1 N3 H3N 97(4) 3_666 . ?
C15 N4 C11 116.9(5) . . ?
C15 N4 Ag1 117.1(4) . 1_565 ?
C11 N4 Ag1 125.3(4) . 1_565 ?
N1 C1 C2 125.5(5) . . ?
N1 C1 H1A 117.3 . . ?
C2 C1 H1A 117.3 . . ?
C3 C2 C1 116.6(5) . . ?
C3 C2 C6 122.8(5) . . ?
C1 C2 C6 120.5(5) . . ?
C2 C3 C4 119.3(6) . . ?
C2 C3 H3A 120.3 . . ?
C4 C3 H3A 120.3 . . ?
C5 C4 C3 118.9(7) . . ?
C5 C4 H4A 120.5 . . ?
C3 C4 H4A 120.5 . . ?
N1 C5 C4 123.2(6) . . ?
N1 C5 H5A 118.4 . . ?
C4 C5 H5A 118.4 . . ?
N2 C6 C2 114.4(4) . . ?
N2 C6 H6A 108.7 . . ?
C2 C6 H6A 108.7 . . ?
N2 C6 H6B 108.7 . . ?
C2 C6 H6B 108.7 . . ?
H6A C6 H6B 107.6 . . ?
N2 C7 C8 114.5(4) . . ?
N2 C7 H7A 108.6 . . ?
C8 C7 H7A 108.6 . . ?
N2 C7 H7B 108.6 . . ?
C8 C7 H7B 108.6 . . ?
H7A C7 H7B 107.6 . . ?
C9 C8 C7 116.4(4) . . ?
C9 C8 H8A 108.2 . . ?
C7 C8 H8A 108.2 . . ?
C9 C8 H8B 108.2 . . ?
C7 C8 H8B 108.2 . . ?
H8A C8 H8B 107.3 . . ?
N3 C9 C8 113.1(4) . . ?
N3 C9 H9A 109.0 . . ?
C8 C9 H9A 109.0 . . ?
N3 C9 H9B 109.0 . . ?
C8 C9 H9B 109.0 . . ?
H9A C9 H9B 107.8 . . ?
N3 C10 C12 111.8(4) . . ?
N3 C10 H10A 109.3 . . ?
C12 C10 H10A 109.3 . . ?
N3 C10 H10B 109.3 . . ?
C12 C10 H10B 109.3 . . ?
H10A C10 H10B 107.9 . . ?
N4 C11 C12 124.4(5) . . ?
N4 C11 H11A 117.8 . . ?
C12 C11 H11A 117.8 . . ?
C13 C12 C11 117.6(5) . . ?
C13 C12 C10 120.3(5) . . ?
C11 C12 C10 122.1(4) . . ?
C12 C13 C14 118.7(6) . . ?
C12 C13 H13A 120.6 . . ?
C14 C13 H13A 120.6 . . ?
C15 C14 C13 119.8(6) . . ?
C15 C14 H14A 120.1 . . ?
C13 C14 H14A 120.1 . . ?
N4 C15 C14 122.6(5) . . ?
N4 C15 H15A 118.7 . . ?
C14 C15 H15A 118.7 . . ?

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
N3 Ag1 N1 C5 -40.3(6) 3_666 . . . ?
N2 Ag1 N1 C5 66.2(5) 3_666 . . . ?
N4 Ag1 N1 C5 -170.8(5) 1_545 . . . ?
N3 Ag1 N1 C1 147.9(3) 3_666 . . . ?
N2 Ag1 N1 C1 -105.6(4) 3_666 . . . ?
N4 Ag1 N1 C1 17.4(4) 1_545 . . . ?
C5 N1 C1 C2 -0.9(8) . . . . ?
Ag1 N1 C1 C2 171.3(4) . . . . ?
N1 C1 C2 C3 0.0(8) . . . . ?
N1 C1 C2 C6 178.9(5) . . . . ?
C1 C2 C3 C4 -0.5(11) . . . . ?
C6 C2 C3 C4 -179.4(7) . . . . ?
C2 C3 C4 C5 1.8(14) . . . . ?
C1 N1 C5 C4 2.2(11) . . . . ?
Ag1 N1 C5 C4 -170.1(7) . . . . ?
C3 C4 C5 N1 -2.8(14) . . . . ?
C7 N2 C6 C2 -178.7(4) . . . . ?
Ag1 N2 C6 C2 -47.2(5) 3_666 . . . ?
C3 C2 C6 N2 -45.1(8) . . . . ?
C1 C2 C6 N2 136.1(5) . . . . ?
C6 N2 C7 C8 -179.3(4) . . . . ?
Ag1 N2 C7 C8 50.2(5) 3_666 . . . ?
N2 C7 C8 C9 -81.1(6) . . . . ?
C10 N3 C9 C8 174.3(4) . . . . ?
Ag1 N3 C9 C8 -51.3(5) 3_666 . . . ?
C7 C8 C9 N3 80.9(6) . . . . ?
C9 N3 C10 C12 170.6(4) . . . . ?
Ag1 N3 C10 C12 35.5(5) 3_666 . . . ?
C15 N4 C11 C12 -0.7(8) . . . . ?
Ag1 N4 C11 C12 169.2(4) 1_565 . . . ?
N4 C11 C12 C13 -0.7(8) . . . . ?
N4 C11 C12 C10 -178.6(5) . . . . ?
N3 C10 C12 C13 -102.7(6) . . . . ?
N3 C10 C12 C11 75.2(6) . . . . ?
C11 C12 C13 C14 -0.1(9) . . . . ?
C10 C12 C13 C14 177.9(6) . . . . ?
C12 C13 C14 C15 2.1(12) . . . . ?
C11 N4 C15 C14 2.8(10) . . . . ?
Ag1 N4 C15 C14 -167.9(6) 1_565 . . . ?
C13 C14 C15 N4 -3.6(12) . . . . ?

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
N2 H2N O4 0.85(3) 2.45(3) 3.28(3) 162(5) .
N3 H3N O1 0.86(3) 2.43(3) 3.173(9) 145(5) 2_655

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        27.56
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         0.724
_refine_diff_density_min         -0.458
_refine_diff_density_rms         0.072
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_complex5
_database_code_depnum_ccdc_archive 'CCDC 1037046'
_audit_update_record             
;
2014-12-02 deposited with the CCDC.
2015-02-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H44 Ag2 N8, 6(Cl O4), 8(H2 O), H4 O'
_chemical_formula_sum            'C30 H64 Ag2 Cl6 N8 O33'
_chemical_formula_weight         1493.33

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'
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'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'

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

_cell_length_a                   8.0338(5)
_cell_length_b                   13.8229(8)
_cell_length_c                   14.0580(10)
_cell_angle_alpha                70.665(6)
_cell_angle_beta                 81.349(6)
_cell_angle_gamma                73.418(6)
_cell_volume                     1409.13(16)
_cell_formula_units_Z            1
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    2629
_cell_measurement_theta_min      3.13
_cell_measurement_theta_max      27.55

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.760
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             760
_exptl_absorpt_coefficient_mu    1.079
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7972
_exptl_absorpt_correction_T_max  0.8549
_exptl_absorpt_process_details   
; 
CrysAlis Pro (Agilent, 2013)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm. 
;

_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.1954
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8415
_diffrn_reflns_av_R_equivalents  0.0196
_diffrn_reflns_av_sigmaI/netI    0.0523
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.13
_diffrn_reflns_theta_max         27.56
_reflns_number_total             6439
_reflns_number_gt                4725
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlis Pro (Agilent, 2013)
;
_computing_cell_refinement       
;
CrysAlis Pro (Agilent, 2013)
;
_computing_data_reduction        
;
CrysAlis Pro (Agilent, 2013)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    '(K. Brandenburg, Diamond 3.1, 2009)'
_computing_publication_material  '(K. Brandenburg, Diamond 3.1, 2009)'

_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)+(0.0893P)²+1.1121P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6439
_refine_ls_number_parameters     394
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.0799
_refine_ls_R_factor_gt           0.0582
_refine_ls_wR_factor_ref         0.1756
_refine_ls_wR_factor_gt          0.1541
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.031
_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 1.15136(6) 0.07071(3) 0.47667(3) 0.05429(17) Uani 1 1 d . . .
Cl1 Cl 0.71967(16) 0.59057(13) 0.89481(10) 0.0607(4) Uani 1 1 d . . .
Cl2 Cl 0.76857(15) 0.14171(10) 0.88787(9) 0.0461(3) Uani 1 1 d . . .
Cl3 Cl 0.64543(15) 0.22440(9) 0.57389(8) 0.0427(3) Uani 1 1 d . . .
O1 O 0.8105(15) 0.6728(11) 0.8833(10) 0.233(6) Uani 1 1 d . . .
O1W O 0.6814(8) 0.5082(5) 0.5036(6) 0.131(2) Uani 1 1 d G . .
H1W1 H 0.6126 0.5688 0.4995 0.197 Uiso 1 1 d R . .
H1W2 H 0.6998 0.4758 0.5655 0.197 Uiso 1 1 d R . .
O2 O 0.7492(12) 0.5903(7) 0.7967(5) 0.161(3) Uani 1 1 d . . .
O2W O 0.7100(10) 0.4248(6) 0.7117(6) 0.0503(17) Uani 0.50 1 d PGD . .
H2W1 H 0.678(8) 0.371(3) 0.719(4) 0.075 Uiso 1 1 d D . .
H2W2 H 0.714(9) 0.436(5) 0.765(2) 0.075 Uiso 1 1 d D . .
O3 O 0.8326(9) 0.5196(5) 0.9624(4) 0.137(3) Uani 1 1 d . . .
O3W O 1.2017(5) 0.2808(3) 0.4661(3) 0.0662(11) Uani 1 1 d G . .
H3W1 H 1.1357 0.3406 0.4369 0.079 Uiso 1 1 d R . .
H3W2 H 1.3031 0.2886 0.4654 0.079 Uiso 1 1 d R . .
O4 O 0.5622(7) 0.6388(6) 0.9251(6) 0.133(3) Uani 1 1 d . . .
O4W O 0.9490(7) 0.4684(4) 0.3712(3) 0.0782(13) Uani 1 1 d G . .
H4W1 H 0.8648 0.4653 0.4157 0.094 Uiso 1 1 d R . .
H4W2 H 0.9627 0.5309 0.3529 0.094 Uiso 1 1 d R . .
O5 O 0.7066(8) 0.0526(5) 0.8936(4) 0.1026(18) Uani 1 1 d . . .
O5W O 0.9243(5) 0.6893(3) 0.3442(3) 0.0592(10) Uani 1 1 d G . .
H5W1 H 0.8906 0.7032 0.3996 0.071 Uiso 1 1 d R . .
H5W2 H 0.9713 0.7373 0.3052 0.071 Uiso 1 1 d R . .
O6 O 0.6240(7) 0.2314(5) 0.8587(5) 0.117(2) Uani 1 1 d . . .
O7 O 0.9038(6) 0.1505(5) 0.8106(4) 0.1013(18) Uani 1 1 d . . .
O8 O 0.8297(9) 0.1274(5) 0.9799(4) 0.116(2) Uani 1 1 d . . .
O9 O 0.5328(6) 0.2649(4) 0.6482(3) 0.0840(14) Uani 1 1 d . . .
O10 O 0.8125(6) 0.2397(5) 0.5713(4) 0.0895(16) Uani 1 1 d . . .
O11 O 0.5746(5) 0.2790(3) 0.4764(3) 0.0579(9) Uani 1 1 d . . .
O12 O 0.6529(8) 0.1147(3) 0.5979(4) 0.0891(15) Uani 1 1 d . . .
N1 N 1.2978(5) 0.0036(3) 0.6089(3) 0.0384(8) Uani 1 1 d . . .
N2 N 1.2922(5) 0.1753(3) 0.8210(3) 0.0334(7) Uani 1 1 d D . .
H2N2 H 1.211(4) 0.205(4) 0.780(3) 0.050 Uiso 1 1 d D . .
H2N1 H 1.386(3) 0.191(4) 0.790(3) 0.050 Uiso 1 1 d D . .
N3 N 1.1739(5) 0.5173(3) 0.8136(3) 0.0392(8) Uani 1 1 d D . .
H3N1 H 1.104(5) 0.514(5) 0.8675(19) 0.059 Uiso 1 1 d D . .
H3N2 H 1.108(5) 0.532(5) 0.765(2) 0.059 Uiso 1 1 d D . .
N4 N 0.9818(5) 0.8579(3) 0.6599(3) 0.0383(8) Uani 1 1 d . . .
C1 C 1.2657(6) 0.0486(3) 0.6833(3) 0.0360(9) Uani 1 1 d . . .
H1A H 1.1746 0.1091 0.6771 0.043 Uiso 1 1 calc R . .
C2 C 1.3599(5) 0.0103(3) 0.7680(3) 0.0312(8) Uani 1 1 d . . .
C3 C 1.4938(6) -0.0798(4) 0.7765(4) 0.0424(10) Uani 1 1 d . . .
H3A H 1.5609 -0.1078 0.8323 0.051 Uiso 1 1 calc R . .
C4 C 1.5280(7) -0.1287(4) 0.7014(4) 0.0499(12) Uani 1 1 d . . .
H4A H 1.6160 -0.1906 0.7070 0.060 Uiso 1 1 calc R . .
C5 C 1.4297(7) -0.0839(4) 0.6187(4) 0.0443(11) Uani 1 1 d . . .
H5A H 1.4552 -0.1154 0.5674 0.053 Uiso 1 1 calc R . .
C6 C 1.3107(6) 0.0588(3) 0.8534(3) 0.0370(9) Uani 1 1 d . . .
H6A H 1.2015 0.0446 0.8867 0.044 Uiso 1 1 calc R . .
H6B H 1.3988 0.0244 0.9025 0.044 Uiso 1 1 calc R . .
C7 C 1.2277(6) 0.2172(3) 0.9101(3) 0.0391(10) Uani 1 1 d . . .
H7A H 1.3249 0.2025 0.9505 0.047 Uiso 1 1 calc R . .
H7B H 1.1440 0.1799 0.9518 0.047 Uiso 1 1 calc R . .
C8 C 1.1432(6) 0.3353(4) 0.8793(4) 0.0407(10) Uani 1 1 d . . .
H8A H 1.0813 0.3537 0.9382 0.049 Uiso 1 1 calc R . .
H8B H 1.0583 0.3514 0.8304 0.049 Uiso 1 1 calc R . .
C9 C 1.2720(6) 0.4040(3) 0.8338(4) 0.0386(10) Uani 1 1 d . . .
H9A H 1.3612 0.3868 0.8804 0.046 Uiso 1 1 calc R . .
H9B H 1.3279 0.3912 0.7714 0.046 Uiso 1 1 calc R . .
C10 C 1.2852(6) 0.5942(4) 0.7795(4) 0.0464(11) Uani 1 1 d . . .
H10A H 1.3488 0.5891 0.7163 0.056 Uiso 1 1 calc R . .
H10B H 1.3690 0.5770 0.8293 0.056 Uiso 1 1 calc R . .
C11 C 1.0883(6) 0.7599(4) 0.6772(3) 0.0388(10) Uani 1 1 d . . .
H11A H 1.1051 0.7267 0.6275 0.047 Uiso 1 1 calc R . .
C12 C 1.1743(5) 0.7059(3) 0.7654(4) 0.0368(9) Uani 1 1 d . . .
C13 C 1.1518(6) 0.7561(4) 0.8380(4) 0.0423(10) Uani 1 1 d . . .
H13A H 1.2089 0.7228 0.8977 0.051 Uiso 1 1 calc R . .
C14 C 1.0424(6) 0.8573(4) 0.8204(4) 0.0431(11) Uani 1 1 d . . .
H14A H 1.0253 0.8925 0.8685 0.052 Uiso 1 1 calc R . .
C15 C 0.9602(6) 0.9050(4) 0.7325(3) 0.0392(10) Uani 1 1 d . . .
H15A H 0.8864 0.9726 0.7222 0.047 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 N4 2.137(4) 2_766 ?
Ag1 N1 2.144(4) . ?
Cl1 O4 1.331(5) . ?
Cl1 O3 1.350(5) . ?
Cl1 O2 1.365(6) . ?
Cl1 O1 1.472(10) . ?
Cl2 O8 1.386(5) . ?
Cl2 O7 1.417(4) . ?
Cl2 O6 1.428(5) . ?
Cl2 O5 1.430(5) . ?
Cl3 O10 1.411(4) . ?
Cl3 O12 1.425(4) . ?
Cl3 O9 1.428(4) . ?
Cl3 O11 1.441(4) . ?
O1W H1W1 0.8502 . ?
O1W H1W2 0.8499 . ?
O2W H2W1 0.84(4) . ?
O2W H2W2 0.84(4) . ?
O3W H3W1 0.8500 . ?
O3W H3W2 0.8500 . ?
O4W H4W1 0.8500 . ?
O4W H4W2 0.8500 . ?
O5W H5W1 0.8501 . ?
O5W H5W2 0.8501 . ?
N1 C1 1.343(6) . ?
N1 C5 1.344(6) . ?
N2 C6 1.490(5) . ?
N2 C7 1.512(5) . ?
N2 H2N2 0.86(2) . ?
N2 H2N1 0.86(2) . ?
N3 C9 1.491(6) . ?
N3 C10 1.496(6) . ?
N3 H3N1 0.86(2) . ?
N3 H3N2 0.86(2) . ?
N4 C11 1.345(6) . ?
N4 C15 1.349(6) . ?
N4 Ag1 2.137(4) 2_766 ?
C1 C2 1.378(6) . ?
C1 H1A 0.9300 . ?
C2 C3 1.378(6) . ?
C2 C6 1.511(6) . ?
C3 C4 1.388(7) . ?
C3 H3A 0.9300 . ?
C4 C5 1.370(7) . ?
C4 H4A 0.9300 . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C8 1.516(6) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.531(6) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C12 1.510(6) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.386(6) . ?
C11 H11A 0.9300 . ?
C12 C13 1.378(7) . ?
C13 C14 1.388(7) . ?
C13 H13A 0.9300 . ?
C14 C15 1.361(6) . ?
C14 H14A 0.9300 . ?
C15 H15A 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
N4 Ag1 N1 176.44(14) 2_766 . ?
O4 Cl1 O3 120.9(4) . . ?
O4 Cl1 O2 118.6(5) . . ?
O3 Cl1 O2 118.0(4) . . ?
O4 Cl1 O1 98.9(7) . . ?
O3 Cl1 O1 90.7(7) . . ?
O2 Cl1 O1 95.9(7) . . ?
O8 Cl2 O7 110.5(4) . . ?
O8 Cl2 O6 114.0(4) . . ?
O7 Cl2 O6 109.1(4) . . ?
O8 Cl2 O5 109.6(4) . . ?
O7 Cl2 O5 108.3(4) . . ?
O6 Cl2 O5 105.1(4) . . ?
O10 Cl3 O12 111.0(3) . . ?
O10 Cl3 O9 110.1(3) . . ?
O12 Cl3 O9 108.6(3) . . ?
O10 Cl3 O11 109.5(3) . . ?
O12 Cl3 O11 108.5(3) . . ?
O9 Cl3 O11 109.2(3) . . ?
H1W1 O1W H1W2 108.1 . . ?
H2W1 O2W H2W2 114.0(19) . . ?
H3W1 O3W H3W2 108.6 . . ?
H4W1 O4W H4W2 107.9 . . ?
H5W1 O5W H5W2 108.6 . . ?
C1 N1 C5 117.5(4) . . ?
C1 N1 Ag1 121.7(3) . . ?
C5 N1 Ag1 120.7(3) . . ?
C6 N2 C7 109.9(3) . . ?
C6 N2 H2N2 108(4) . . ?
C7 N2 H2N2 105(3) . . ?
C6 N2 H2N1 112(3) . . ?
C7 N2 H2N1 114(4) . . ?
H2N2 N2 H2N1 108.2(17) . . ?
C9 N3 C10 114.6(4) . . ?
C9 N3 H3N1 101(4) . . ?
C10 N3 H3N1 121(4) . . ?
C9 N3 H3N2 107(4) . . ?
C10 N3 H3N2 106(4) . . ?
H3N1 N3 H3N2 105.6(16) . . ?
C11 N4 C15 117.5(4) . . ?
C11 N4 Ag1 119.4(3) . 2_766 ?
C15 N4 Ag1 123.1(3) . 2_766 ?
N1 C1 C2 123.8(4) . . ?
N1 C1 H1A 118.1 . . ?
C2 C1 H1A 118.1 . . ?
C1 C2 C3 117.5(4) . . ?
C1 C2 C6 121.9(4) . . ?
C3 C2 C6 120.4(4) . . ?
C2 C3 C4 119.8(4) . . ?
C2 C3 H3A 120.1 . . ?
C4 C3 H3A 120.1 . . ?
C5 C4 C3 118.7(5) . . ?
C5 C4 H4A 120.7 . . ?
C3 C4 H4A 120.7 . . ?
N1 C5 C4 122.7(4) . . ?
N1 C5 H5A 118.7 . . ?
C4 C5 H5A 118.7 . . ?
N2 C6 C2 114.1(3) . . ?
N2 C6 H6A 108.7 . . ?
C2 C6 H6A 108.7 . . ?
N2 C6 H6B 108.7 . . ?
C2 C6 H6B 108.7 . . ?
H6A C6 H6B 107.6 . . ?
N2 C7 C8 113.2(4) . . ?
N2 C7 H7A 108.9 . . ?
C8 C7 H7A 108.9 . . ?
N2 C7 H7B 108.9 . . ?
C8 C7 H7B 108.9 . . ?
H7A C7 H7B 107.8 . . ?
C7 C8 C9 113.9(4) . . ?
C7 C8 H8A 108.8 . . ?
C9 C8 H8A 108.8 . . ?
C7 C8 H8B 108.8 . . ?
C9 C8 H8B 108.8 . . ?
H8A C8 H8B 107.7 . . ?
N3 C9 C8 108.2(4) . . ?
N3 C9 H9A 110.1 . . ?
C8 C9 H9A 110.1 . . ?
N3 C9 H9B 110.1 . . ?
C8 C9 H9B 110.1 . . ?
H9A C9 H9B 108.4 . . ?
N3 C10 C12 110.4(4) . . ?
N3 C10 H10A 109.6 . . ?
C12 C10 H10A 109.6 . . ?
N3 C10 H10B 109.6 . . ?
C12 C10 H10B 109.6 . . ?
H10A C10 H10B 108.1 . . ?
N4 C11 C12 123.3(4) . . ?
N4 C11 H11A 118.4 . . ?
C12 C11 H11A 118.4 . . ?
C13 C12 C11 118.2(4) . . ?
C13 C12 C10 122.5(4) . . ?
C11 C12 C10 119.3(4) . . ?
C12 C13 C14 118.7(4) . . ?
C12 C13 H13A 120.7 . . ?
C14 C13 H13A 120.7 . . ?
C15 C14 C13 119.9(4) . . ?
C15 C14 H14A 120.0 . . ?
C13 C14 H14A 120.0 . . ?
N4 C15 C14 122.4(4) . . ?
N4 C15 H15A 118.8 . . ?
C14 C15 H15A 118.8 . . ?

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
C5 N1 C1 C2 0.1(7) . . . . ?
Ag1 N1 C1 C2 -177.8(3) . . . . ?
N1 C1 C2 C3 -0.4(6) . . . . ?
N1 C1 C2 C6 -175.3(4) . . . . ?
C1 C2 C3 C4 -0.5(6) . . . . ?
C6 C2 C3 C4 174.5(4) . . . . ?
C2 C3 C4 C5 1.7(7) . . . . ?
C1 N1 C5 C4 1.2(7) . . . . ?
Ag1 N1 C5 C4 179.2(4) . . . . ?
C3 C4 C5 N1 -2.1(8) . . . . ?
C7 N2 C6 C2 175.0(4) . . . . ?
C1 C2 C6 N2 -53.6(5) . . . . ?
C3 C2 C6 N2 131.7(4) . . . . ?
C6 N2 C7 C8 -158.8(4) . . . . ?
N2 C7 C8 C9 -71.8(5) . . . . ?
C10 N3 C9 C8 173.5(4) . . . . ?
C7 C8 C9 N3 -176.2(4) . . . . ?
C9 N3 C10 C12 -177.7(4) . . . . ?
C15 N4 C11 C12 0.5(7) . . . . ?
Ag1 N4 C11 C12 -177.3(3) 2_766 . . . ?
N4 C11 C12 C13 -1.2(7) . . . . ?
N4 C11 C12 C10 177.4(4) . . . . ?
N3 C10 C12 C13 97.9(5) . . . . ?
N3 C10 C12 C11 -80.7(5) . . . . ?
C11 C12 C13 C14 1.0(7) . . . . ?
C10 C12 C13 C14 -177.6(4) . . . . ?
C12 C13 C14 C15 -0.1(7) . . . . ?
C11 N4 C15 C14 0.5(7) . . . . ?
Ag1 N4 C15 C14 178.2(4) 2_766 . . . ?
C13 C14 C15 N4 -0.7(7) . . . . ?

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
O1W H1W1 O11 0.85 2.31 3.143(7) 168.5 2_666
O1W H1W2 O2W 0.85 1.95 2.786(11) 169.2 .
O2W H2W1 O6 0.84(4) 2.34(4) 2.976(9) 134(5) .
O2W H2W2 O2 0.84(4) 2.41(4) 3.016(11) 131(5) .
O3W H3W1 O4W 0.85 2.01 2.853(6) 170.4 .
O3W H3W2 O11 0.85 2.17 3.014(6) 170.1 1_655
O4W H4W1 O1W 0.85 1.87 2.681(9) 159.7 .
O4W H4W2 O5W 0.85 2.09 2.902(6) 160.3 .
O5W H5W1 O3W 0.85 1.98 2.826(6) 172.3 2_766
O5W H5W2 O7 0.85 2.19 3.033(7) 172.2 2_766
N2 H2N2 O5W 0.86(2) 2.08(2) 2.898(5) 160(4) 2_766
N2 H2N1 O9 0.86(2) 2.25(2) 3.022(6) 150(4) 1_655
N2 H2N1 O6 0.86(2) 2.53(4) 3.141(8) 129(4) 1_655
N3 H3N1 O3 0.86(2) 2.37(2) 3.187(8) 156(4) .
N3 H3N1 O3 0.86(2) 2.38(3) 3.014(7) 130(4) 2_767
N3 H3N2 O4W 0.86(2) 2.03(2) 2.844(6) 156(4) 2_766

_diffrn_measured_fraction_theta_max 0.987
_diffrn_reflns_theta_full        27.56
_diffrn_measured_fraction_theta_full 0.987
_refine_diff_density_max         0.995
_refine_diff_density_min         -0.731
_refine_diff_density_rms         0.107
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_complex6
_database_code_depnum_ccdc_archive 'CCDC 1037047'
_audit_update_record             
;
2014-12-02 deposited with the CCDC.
2015-02-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C15 H20 Ag N4, N O3, H2 O'
_chemical_formula_sum            'C15 H22 Ag N5 O4'
_chemical_formula_weight         444.25

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'
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'F ddd'
_symmetry_space_group_name_Hall  '-F 2uv 2vw'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/4, -y+1/4, z'
'x, -y+1/4, -z+1/4'
'-x+1/4, y, -z+1/4'
'x, y+1/2, z+1/2'
'-x+1/4, -y+3/4, z+1/2'
'x, -y+3/4, -z+3/4'
'-x+1/4, y+1/2, -z+3/4'
'x+1/2, y, z+1/2'
'-x+3/4, -y+1/4, z+1/2'
'x+1/2, -y+1/4, -z+3/4'
'-x+3/4, y, -z+3/4'
'x+1/2, y+1/2, z'
'-x+3/4, -y+3/4, z'
'x+1/2, -y+3/4, -z+1/4'
'-x+3/4, y+1/2, -z+1/4'
'-x, -y, -z'
'x-1/4, y-1/4, -z'
'-x, y-1/4, z-1/4'
'x-1/4, -y, z-1/4'
'-x, -y+1/2, -z+1/2'
'x-1/4, y+1/4, -z+1/2'
'-x, y+1/4, z+1/4'
'x-1/4, -y+1/2, z+1/4'
'-x+1/2, -y, -z+1/2'
'x+1/4, y-1/4, -z+1/2'
'-x+1/2, y-1/4, z+1/4'
'x+1/4, -y, z+1/4'
'-x+1/2, -y+1/2, -z'
'x+1/4, y+1/4, -z'
'-x+1/2, y+1/4, z-1/4'
'x+1/4, -y+1/2, z-1/4'

_cell_length_a                   8.6068(3)
_cell_length_b                   24.6534(10)
_cell_length_c                   35.7404(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     7583.6(5)
_cell_formula_units_Z            16
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    1418
_cell_measurement_theta_min      3.47
_cell_measurement_theta_max      26.99

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3616
_exptl_absorpt_coefficient_mu    1.092
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8277
_exptl_absorpt_correction_T_max  0.8711
_exptl_absorpt_process_details   
; 
CrysAlis Pro (Agilent, 2013)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm. 
;

_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.1954
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            4484
_diffrn_reflns_av_R_equivalents  0.0390
_diffrn_reflns_av_sigmaI/netI    0.0641
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_theta_min         3.03
_diffrn_reflns_theta_max         27.56
_reflns_number_total             2173
_reflns_number_gt                1408
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlis Pro (Agilent, 2013)
;
_computing_cell_refinement       
;
CrysAlis Pro (Agilent, 2013)
;
_computing_data_reduction        
;
CrysAlis Pro (Agilent, 2013)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    '(K. Brandenburg, Diamond 3.1, 2009)'
_computing_publication_material  '(K. Brandenburg, Diamond 3.1, 2009)'

_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)+(0.1392P)²+42.5757P] 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         2173
_refine_ls_number_parameters     121
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.1139
_refine_ls_R_factor_gt           0.0764
_refine_ls_wR_factor_ref         0.2426
_refine_ls_wR_factor_gt          0.2179
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.028
_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 0.3750 0.3750 0.29155(2) 0.0494(4) Uani 1 2 d S . .
O1W O 0.6250 0.2567(4) 0.1250 0.081(3) Uani 1 2 d S . .
H1W H 0.6950 0.2760 0.1154 0.122 Uiso 1 1 d R . .
N1 N 0.5774(8) 0.3275(3) 0.2615(2) 0.0542(18) Uani 1 1 d . . .
N2 N 0.8093(6) 0.1855(2) 0.17883(16) 0.0355(12) Uani 1 1 d . . .
H2 H 0.7563 0.2076 0.1643 0.043 Uiso 1 1 calc R . .
C1 C 0.6275(10) 0.2812(4) 0.2781(2) 0.054(2) Uani 1 1 d . . .
H1 H 0.5896 0.2726 0.3017 0.065 Uiso 1 1 calc R . .
C2 C 0.7329(9) 0.2460(3) 0.2614(2) 0.0494(19) Uani 1 1 d . . .
H2A H 0.7648 0.2148 0.2739 0.059 Uiso 1 1 calc R . .
C3 C 0.7894(9) 0.2574(3) 0.2266(2) 0.0460(19) Uani 1 1 d . . .
C4 C 0.7417(10) 0.3044(4) 0.2101(2) 0.054(2) Uani 1 1 d . . .
H4 H 0.7789 0.3138 0.1865 0.065 Uiso 1 1 calc R . .
C5 C 0.6392(11) 0.3377(4) 0.2282(3) 0.062(2) Uani 1 1 d . . .
H5 H 0.6107 0.3697 0.2163 0.074 Uiso 1 1 calc R . .
C6 C 0.8985(10) 0.2196(4) 0.2059(3) 0.053(2) Uani 1 1 d . . .
H6A H 0.9760 0.2406 0.1926 0.063 Uiso 1 1 calc R . .
H6B H 0.9517 0.1964 0.2237 0.063 Uiso 1 1 calc R . .
C7 C 0.9185(8) 0.1549(3) 0.1547(2) 0.0439(17) Uani 1 1 d . . .
H7A H 0.9771 0.1291 0.1695 0.053 Uiso 1 1 calc R . .
H7B H 0.9911 0.1795 0.1428 0.053 Uiso 1 1 calc R . .
C8 C 0.8227(11) 0.1250 0.1250 0.038(2) Uani 1 2 d S . .
H8A H 0.7561 0.0989 0.1375 0.046 Uiso 0.50 1 calc PR . .
H8B H 0.7561 0.1511 0.1125 0.046 Uiso 0.50 1 calc PR . .
O1 O 0.8856(14) 0.3171(7) 0.0971(5) 0.105(3) Uani 0.50 1 d PDU A -1
O2 O 1.0454(17) 0.2717(6) 0.1282(5) 0.105(3) Uani 0.50 1 d PD A -1
O3 O 1.1211(16) 0.3385(7) 0.0984(5) 0.105(3) Uani 0.50 1 d PD A -1
N3 N 1.0158(14) 0.3091(5) 0.1078(3) 0.087(5) Uani 0.50 1 d PDU A -1


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.357(7) 14 ?
Ag1 N1 2.357(7) . ?
Ag1 N2 2.421(6) 22 ?
Ag1 N2 2.421(6) 21_655 ?
O1W H1W 0.8492 . ?
N1 C5 1.329(11) . ?
N1 C1 1.356(12) . ?
N2 C7 1.483(9) . ?
N2 C6 1.495(9) . ?
N2 Ag1 2.421(6) 21_655 ?
N2 H2 0.8800 . ?
C1 C2 1.390(12) . ?
C1 H1 0.9300 . ?
C2 C3 1.367(11) . ?
C2 H2A 0.9300 . ?
C3 C4 1.362(12) . ?
C3 C6 1.515(11) . ?
C4 C5 1.369(13) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C8 1.532(9) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C7 1.532(9) 3 ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
O1 N3 1.201(8) . ?
O2 N3 1.202(8) . ?
O3 N3 1.209(8) . ?

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
N1 Ag1 N1 125.9(4) 14 . ?
N1 Ag1 N2 112.2(2) 14 22 ?
N1 Ag1 N2 91.2(2) . 22 ?
N1 Ag1 N2 91.2(2) 14 21_655 ?
N1 Ag1 N2 112.2(2) . 21_655 ?
N2 Ag1 N2 128.1(3) 22 21_655 ?
C5 N1 C1 115.0(8) . . ?
C5 N1 Ag1 127.6(7) . . ?
C1 N1 Ag1 117.0(5) . . ?
C7 N2 C6 109.8(5) . . ?
C7 N2 Ag1 110.9(4) . 21_655 ?
C6 N2 Ag1 113.6(5) . 21_655 ?
C7 N2 H2 107.5 . . ?
C6 N2 H2 107.5 . . ?
Ag1 N2 H2 107.5 21_655 . ?
N1 C1 C2 123.2(8) . . ?
N1 C1 H1 118.4 . . ?
C2 C1 H1 118.4 . . ?
C3 C2 C1 119.6(8) . . ?
C3 C2 H2A 120.2 . . ?
C1 C2 H2A 120.2 . . ?
C4 C3 C2 117.6(7) . . ?
C4 C3 C6 119.9(8) . . ?
C2 C3 C6 122.5(8) . . ?
C3 C4 C5 120.0(8) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
N1 C5 C4 124.7(9) . . ?
N1 C5 H5 117.7 . . ?
C4 C5 H5 117.7 . . ?
N2 C6 C3 110.1(6) . . ?
N2 C6 H6A 109.6 . . ?
C3 C6 H6A 109.6 . . ?
N2 C6 H6B 109.6 . . ?
C3 C6 H6B 109.6 . . ?
H6A C6 H6B 108.2 . . ?
N2 C7 C8 107.8(5) . . ?
N2 C7 H7A 110.1 . . ?
C8 C7 H7A 110.1 . . ?
N2 C7 H7B 110.1 . . ?
C8 C7 H7B 110.1 . . ?
H7A C7 H7B 108.5 . . ?
C7 C8 C7 114.9(8) 3 . ?
C7 C8 H8A 108.6 3 . ?
C7 C8 H8A 108.6 . . ?
C7 C8 H8B 108.6 3 . ?
C7 C8 H8B 108.6 . . ?
H8A C8 H8B 107.5 . . ?
O1 N3 O2 121.1(10) . . ?
O1 N3 O3 120.8(10) . . ?
O2 N3 O3 118.1(10) . . ?

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 Ag1 N1 C5 28.6(7) 14 . . . ?
N2 Ag1 N1 C5 -90.1(7) 22 . . . ?
N2 Ag1 N1 C5 137.4(7) 21_655 . . . ?
N1 Ag1 N1 C1 -144.2(6) 14 . . . ?
N2 Ag1 N1 C1 97.1(6) 22 . . . ?
N2 Ag1 N1 C1 -35.4(7) 21_655 . . . ?
C5 N1 C1 C2 -1.4(12) . . . . ?
Ag1 N1 C1 C2 172.3(6) . . . . ?
N1 C1 C2 C3 -0.6(12) . . . . ?
C1 C2 C3 C4 1.7(11) . . . . ?
C1 C2 C3 C6 -177.0(7) . . . . ?
C2 C3 C4 C5 -0.9(12) . . . . ?
C6 C3 C4 C5 177.9(8) . . . . ?
C1 N1 C5 C4 2.3(13) . . . . ?
Ag1 N1 C5 C4 -170.6(7) . . . . ?
C3 C4 C5 N1 -1.2(14) . . . . ?
C7 N2 C6 C3 171.2(7) . . . . ?
Ag1 N2 C6 C3 -64.0(8) 21_655 . . . ?
C4 C3 C6 N2 -80.9(9) . . . . ?
C2 C3 C6 N2 97.8(9) . . . . ?
C6 N2 C7 C8 -174.5(6) . . . . ?
Ag1 N2 C7 C8 59.2(6) 21_655 . . . ?
N2 C7 C8 C7 174.8(7) . . . 3 ?

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
O1W H1W O1 0.85 2.04 2.870(15) 172.0 .
N2 H2 O1W 0.88 2.17 3.050(8) 175.2 .

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        27.56
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         1.987
_refine_diff_density_min         -0.999
_refine_diff_density_rms         0.141
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_complex7
_database_code_depnum_ccdc_archive 'CCDC 1037048'
_audit_update_record             
;
2014-12-02 deposited with the CCDC.
2015-02-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C15 H20 Ag N4, Cl O4, H2 O'
_chemical_formula_sum            'C15 H22 Ag Cl N4 O5'
_chemical_formula_weight         481.69

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'
Cl Cl 0.1484 0.1585 '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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'F ddd'
_symmetry_space_group_name_Hall  '-F 2uv 2vw'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/4, -y+1/4, z'
'x, -y+1/4, -z+1/4'
'-x+1/4, y, -z+1/4'
'x, y+1/2, z+1/2'
'-x+1/4, -y+3/4, z+1/2'
'x, -y+3/4, -z+3/4'
'-x+1/4, y+1/2, -z+3/4'
'x+1/2, y, z+1/2'
'-x+3/4, -y+1/4, z+1/2'
'x+1/2, -y+1/4, -z+3/4'
'-x+3/4, y, -z+3/4'
'x+1/2, y+1/2, z'
'-x+3/4, -y+3/4, z'
'x+1/2, -y+3/4, -z+1/4'
'-x+3/4, y+1/2, -z+1/4'
'-x, -y, -z'
'x-1/4, y-1/4, -z'
'-x, y-1/4, z-1/4'
'x-1/4, -y, z-1/4'
'-x, -y+1/2, -z+1/2'
'x-1/4, y+1/4, -z+1/2'
'-x, y+1/4, z+1/4'
'x-1/4, -y+1/2, z+1/4'
'-x+1/2, -y, -z+1/2'
'x+1/4, y-1/4, -z+1/2'
'-x+1/2, y-1/4, z+1/4'
'x+1/4, -y, z+1/4'
'-x+1/2, -y+1/2, -z'
'x+1/4, y+1/4, -z'
'-x+1/2, y+1/4, z-1/4'
'x+1/4, -y+1/2, z-1/4'

_cell_length_a                   24.3650(18)
_cell_length_b                   8.6123(7)
_cell_length_c                   36.092(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     7573.5(10)
_cell_formula_units_Z            16
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    1625
_cell_measurement_theta_min      3.51
_cell_measurement_theta_max      27.56

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.690
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3904
_exptl_absorpt_coefficient_mu    1.239
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7809
_exptl_absorpt_correction_T_max  0.8359
_exptl_absorpt_process_details   
; 
CrysAlis Pro (Agilent, 2013)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm. 
;

_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.1954
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            4521
_diffrn_reflns_av_R_equivalents  0.0304
_diffrn_reflns_av_sigmaI/netI    0.0656
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_theta_min         3.49
_diffrn_reflns_theta_max         27.56
_reflns_number_total             2174
_reflns_number_gt                1522
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlis Pro (Agilent, 2013)
;
_computing_cell_refinement       
;
CrysAlis Pro (Agilent, 2013)
;
_computing_data_reduction        
;
CrysAlis Pro (Agilent, 2013)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    '(K. Brandenburg, Diamond 3.1, 2009)'
_computing_publication_material  '(K. Brandenburg, Diamond 3.1, 2009)'

_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)+(0.0662P)²+4.9879P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2174
_refine_ls_number_parameters     123
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0788
_refine_ls_R_factor_gt           0.0521
_refine_ls_wR_factor_ref         0.1493
_refine_ls_wR_factor_gt          0.1283
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_restrained_S_all      1.019
_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 -0.3750 -0.3750 0.042628(15) 0.0441(2) Uani 1 2 d S . .
Cl1 Cl -0.31484(16) -0.6250 -0.1250 0.190(3) Uani 1 2 d S . .
O1 O -0.2799(5) -0.483(3) -0.1133(4) 0.356(11) Uani 1 1 d . . .
O1W O -0.2641(4) -0.1250 -0.1250 0.208(8) Uani 1 2 d S . .
H1W H -0.2843 -0.2047 -0.1225 0.312 Uiso 1 1 d R . .
O2 O -0.3410(6) -0.6726(15) -0.0971(3) 0.254(6) Uani 1 1 d . . .
N1 N -0.32501(18) -0.1713(6) 0.01329(13) 0.0524(11) Uani 1 1 d . . .
N2 N -0.18506(15) 0.0609(4) -0.07107(10) 0.0339(8) Uani 1 1 d D . .
H2N H -0.2075(16) 0.016(5) -0.0861(11) 0.051 Uiso 1 1 d D . .
C1 C -0.3362(2) -0.1149(7) -0.02036(17) 0.0596(16) Uani 1 1 d . . .
H1A H -0.3681 -0.1483 -0.0320 0.072 Uiso 1 1 calc R . .
C2 C -0.3034(2) -0.0106(7) -0.03887(15) 0.0519(14) Uani 1 1 d . . .
H2A H -0.3135 0.0254 -0.0622 0.062 Uiso 1 1 calc R . .
C3 C -0.25578(19) 0.0399(5) -0.02263(14) 0.0399(11) Uani 1 1 d . . .
C4 C -0.2443(2) -0.0155(6) 0.01227(14) 0.0430(12) Uani 1 1 d . . .
H4A H -0.2126 0.0171 0.0244 0.052 Uiso 1 1 calc R . .
C5 C -0.2792(2) -0.1189(6) 0.02932(15) 0.0464(12) Uani 1 1 d . . .
H5A H -0.2705 -0.1537 0.0530 0.056 Uiso 1 1 calc R . .
C6 C -0.2177(2) 0.1485(6) -0.04327(15) 0.0449(13) Uani 1 1 d . . .
H6A H -0.2390 0.2283 -0.0556 0.054 Uiso 1 1 calc R . .
H6B H -0.1932 0.1990 -0.0259 0.054 Uiso 1 1 calc R . .
C7 C -0.1543(2) 0.1665(5) -0.09569(14) 0.0395(11) Uani 1 1 d . . .
H7A H -0.1278 0.2253 -0.0813 0.047 Uiso 1 1 calc R . .
H7B H -0.1793 0.2393 -0.1073 0.047 Uiso 1 1 calc R . .
C8 C -0.1250 0.0741(8) -0.1250 0.0383(15) Uani 1 2 d S . .
H8A H -0.1515 0.0082 -0.1369 0.046 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 N1 2.384(5) . ?
Ag1 N1 2.384(5) 2_445 ?
Ag1 N2 2.400(4) 18 ?
Ag1 N2 2.400(4) 29_445 ?
Cl1 O2 1.261(8) . ?
Cl1 O2 1.261(8) 7_534 ?
Cl1 O1 1.549(16) . ?
Cl1 O1 1.549(16) 7_534 ?
O1W H1W 0.8499 . ?
N1 C1 1.336(7) . ?
N1 C5 1.336(7) . ?
N2 C7 1.477(6) . ?
N2 C6 1.486(6) . ?
N2 Ag1 2.400(4) 29_445 ?
N2 H2N 0.86(7) . ?
C1 C2 1.375(7) . ?
C1 H1A 0.9300 . ?
C2 C3 1.371(7) . ?
C2 H2A 0.9300 . ?
C3 C4 1.376(7) . ?
C3 C6 1.514(7) . ?
C4 C5 1.377(7) . ?
C4 H4A 0.9300 . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C8 1.504(6) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C7 1.504(6) 12_454 ?
C8 H8A 0.9599 . ?

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
N1 Ag1 N1 127.3(2) . 2_445 ?
N1 Ag1 N2 90.61(15) . 18 ?
N1 Ag1 N2 111.68(14) 2_445 18 ?
N1 Ag1 N2 111.68(14) . 29_445 ?
N1 Ag1 N2 90.61(15) 2_445 29_445 ?
N2 Ag1 N2 129.35(18) 18 29_445 ?
O2 Cl1 O2 119.3(14) . 7_534 ?
O2 Cl1 O1 108.5(9) . . ?
O2 Cl1 O1 103.7(9) 7_534 . ?
O2 Cl1 O1 103.7(9) . 7_534 ?
O2 Cl1 O1 108.5(9) 7_534 7_534 ?
O1 Cl1 O1 113.4(12) . 7_534 ?
C1 N1 C5 116.2(5) . . ?
C1 N1 Ag1 124.6(4) . . ?
C5 N1 Ag1 118.9(4) . . ?
C7 N2 C6 111.4(3) . . ?
C7 N2 Ag1 111.0(3) . 29_445 ?
C6 N2 Ag1 112.1(3) . 29_445 ?
C7 N2 H2N 103(4) . . ?
C6 N2 H2N 108(3) . . ?
Ag1 N2 H2N 111(3) 29_445 . ?
N1 C1 C2 124.1(5) . . ?
N1 C1 H1A 117.9 . . ?
C2 C1 H1A 117.9 . . ?
C3 C2 C1 119.4(5) . . ?
C3 C2 H2A 120.3 . . ?
C1 C2 H2A 120.3 . . ?
C2 C3 C4 117.0(5) . . ?
C2 C3 C6 120.3(5) . . ?
C4 C3 C6 122.7(5) . . ?
C5 C4 C3 120.5(5) . . ?
C5 C4 H4A 119.8 . . ?
C3 C4 H4A 119.8 . . ?
N1 C5 C4 122.8(5) . . ?
N1 C5 H5A 118.6 . . ?
C4 C5 H5A 118.6 . . ?
N2 C6 C3 110.3(4) . . ?
N2 C6 H6A 109.6 . . ?
C3 C6 H6A 109.6 . . ?
N2 C6 H6B 109.6 . . ?
C3 C6 H6B 109.6 . . ?
H6A C6 H6B 108.1 . . ?
N2 C7 C8 109.8(4) . . ?
N2 C7 H7A 109.7 . . ?
C8 C7 H7A 109.7 . . ?
N2 C7 H7B 109.7 . . ?
C8 C7 H7B 109.7 . . ?
H7A C7 H7B 108.2 . . ?
C7 C8 C7 116.0(6) . 12_454 ?
C7 C8 H8A 108.0 . . ?
C7 C8 H8A 108.5 12_454 . ?

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 Ag1 N1 C1 27.0(4) 2_445 . . . ?
N2 Ag1 N1 C1 -91.1(5) 18 . . . ?
N2 Ag1 N1 C1 135.5(5) 29_445 . . . ?
N1 Ag1 N1 C5 -145.7(4) 2_445 . . . ?
N2 Ag1 N1 C5 96.2(4) 18 . . . ?
N2 Ag1 N1 C5 -37.2(4) 29_445 . . . ?
C5 N1 C1 C2 0.9(9) . . . . ?
Ag1 N1 C1 C2 -172.0(4) . . . . ?
N1 C1 C2 C3 0.6(9) . . . . ?
C1 C2 C3 C4 -1.5(8) . . . . ?
C1 C2 C3 C6 177.0(5) . . . . ?
C2 C3 C4 C5 1.0(7) . . . . ?
C6 C3 C4 C5 -177.5(5) . . . . ?
C1 N1 C5 C4 -1.5(8) . . . . ?
Ag1 N1 C5 C4 171.8(4) . . . . ?
C3 C4 C5 N1 0.6(8) . . . . ?
C7 N2 C6 C3 170.8(4) . . . . ?
Ag1 N2 C6 C3 -64.1(5) 29_445 . . . ?
C2 C3 C6 N2 -77.8(6) . . . . ?
C4 C3 C6 N2 100.6(5) . . . . ?
C6 N2 C7 C8 -176.1(4) . . . . ?
Ag1 N2 C7 C8 58.2(4) 29_445 . . . ?
N2 C7 C8 C7 174.8(5) . . . 12_454 ?

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
O1W H1W O1 0.85 2.42 3.13(2) 142.0 .
N2 H2N O1W 0.86(7) 2.313(13) 3.172(7) 175(5) .

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        27.56
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         1.188
_refine_diff_density_min         -0.790
_refine_diff_density_rms         0.099
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_complex8
_database_code_depnum_ccdc_archive 'CCDC 1037049'
_audit_update_record             
;
2014-12-02 deposited with the CCDC.
2015-02-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H40 Ag3 Cl N8 O4, 2(Cl O4)'
_chemical_formula_sum            'C30 H40 Ag3 Cl3 N8 O12'
_chemical_formula_weight         1134.66

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'

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                   14.966(2)
_cell_length_b                   13.205(2)
_cell_length_c                   23.389(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 118.964(9)
_cell_angle_gamma                90.00
_cell_volume                     4044.1(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    3300
_cell_measurement_theta_min      3.11
_cell_measurement_theta_max      27.56

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.864
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2256
_exptl_absorpt_coefficient_mu    1.704
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7055
_exptl_absorpt_correction_T_max  0.7721
_exptl_absorpt_process_details   
; 
CrysAlis Pro (Agilent, 2013)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm. 
;

_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.1954
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19937
_diffrn_reflns_av_R_equivalents  0.0376
_diffrn_reflns_av_sigmaI/netI    0.0579
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         3.11
_diffrn_reflns_theta_max         27.56
_reflns_number_total             9296
_reflns_number_gt                5825
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlis Pro (Agilent, 2013)
;
_computing_cell_refinement       
;
CrysAlis Pro (Agilent, 2013)
;
_computing_data_reduction        
;
CrysAlis Pro (Agilent, 2013)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    '(K. Brandenburg, Diamond 3.1, 2009)'
_computing_publication_material  '(K. Brandenburg, Diamond 3.1, 2009)'

_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)+(0.0581P)²+5.8254P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9296
_refine_ls_number_parameters     520
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.1058
_refine_ls_R_factor_gt           0.0609
_refine_ls_wR_factor_ref         0.1558
_refine_ls_wR_factor_gt          0.1340
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.030
_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 0.5000 -0.5000 0.0000 0.0877(3) Uani 1 2 d S . .
Ag2 Ag 0.27409(4) -0.41764(4) -0.31683(2) 0.05384(16) Uani 1 1 d . . .
Ag3 Ag 0.21736(4) -0.01751(4) -0.19315(2) 0.05894(17) Uani 1 1 d . . .
Ag4 Ag 0.0000 0.0000 -0.5000 0.0817(3) Uani 1 2 d S . .
Cl1 Cl 0.50432(12) -0.39768(15) -0.33282(9) 0.0619(5) Uani 1 1 d . . .
Cl2 Cl -0.00726(10) -0.04048(13) -0.17063(7) 0.0503(4) Uani 1 1 d . . .
Cl3 Cl -0.25185(15) -0.09163(17) -0.50982(12) 0.0812(6) Uani 1 1 d . . .
O1 O 0.4121(7) -0.3591(10) -0.3663(9) 0.285(8) Uani 1 1 d . . .
O2 O 0.5030(14) -0.3958(12) -0.2783(7) 0.292(9) Uani 1 1 d . . .
O3 O 0.5044(6) -0.4970(6) -0.3540(5) 0.142(3) Uani 1 1 d . . .
O4 O 0.5802(6) -0.3404(6) -0.3277(5) 0.180(4) Uani 1 1 d . . .
O5 O -0.0539(6) -0.0330(6) -0.2390(3) 0.123(3) Uani 1 1 d . . .
O6 O -0.0044(5) 0.0561(5) -0.1437(3) 0.104(2) Uani 1 1 d . . .
O7 O 0.0920(4) -0.0775(6) -0.1460(3) 0.0531(4) Uani 1 1 d . . .
O8 O -0.0635(4) -0.1073(4) -0.1523(3) 0.0872(17) Uani 1 1 d . . .
O9 O -0.3376(6) -0.1438(8) -0.5504(7) 0.273(8) Uani 1 1 d . . .
O10 O -0.2748(11) -0.0541(10) -0.4669(6) 0.236(6) Uani 1 1 d . . .
O11 O -0.1707(5) -0.1578(6) -0.4867(4) 0.133(3) Uani 1 1 d . . .
O12 O -0.2305(5) -0.0079(5) -0.5382(4) 0.113(2) Uani 1 1 d . . .
N1 N 0.4520(4) -0.5572(5) -0.0956(3) 0.0692(17) Uani 1 1 d . . .
N2 N 0.2733(3) -0.5895(4) -0.3421(2) 0.0451(12) Uani 1 1 d D . .
H2N H 0.219(3) -0.614(5) -0.344(3) 0.068 Uiso 1 1 d D . .
N3 N 0.1422(4) -0.3925(4) -0.4253(2) 0.0461(12) Uani 1 1 d D . .
H3N H 0.089(3) -0.409(5) -0.423(3) 0.069 Uiso 1 1 d D . .
N4 N 0.1743(4) -0.0982(4) -0.2852(2) 0.0492(12) Uani 1 1 d . . .
N5 N 0.3161(4) -0.3393(4) -0.2232(2) 0.0477(12) Uani 1 1 d . . .
N6 N 0.3479(4) -0.0400(5) -0.0855(2) 0.0528(14) Uani 1 1 d D . .
H6N H 0.399(3) -0.021(5) -0.090(3) 0.079 Uiso 1 1 d D . .
N7 N 0.2128(4) 0.1538(4) -0.1731(2) 0.0492(12) Uani 1 1 d D . .
H7N H 0.256(4) 0.181(5) -0.183(3) 0.074 Uiso 1 1 d D . .
N8 N 0.0349(5) 0.0864(5) -0.4144(3) 0.0670(16) Uani 1 1 d . . .
C1 C 0.3550(5) -0.5734(6) -0.1392(3) 0.0577(17) Uani 1 1 d . . .
H1A H 0.3060 -0.5655 -0.1259 0.069 Uiso 1 1 calc R . .
C2 C 0.3227(4) -0.6015(5) -0.2033(3) 0.0517(16) Uani 1 1 d . . .
H2A H 0.2537 -0.6132 -0.2317 0.062 Uiso 1 1 calc R . .
C3 C 0.3931(4) -0.6122(5) -0.2248(3) 0.0446(14) Uani 1 1 d . . .
C4 C 0.4937(5) -0.5945(7) -0.1795(4) 0.078(2) Uani 1 1 d . . .
H4A H 0.5444 -0.6003 -0.1914 0.094 Uiso 1 1 calc R . .
C5 C 0.5188(5) -0.5685(8) -0.1169(4) 0.092(3) Uani 1 1 d . . .
H5A H 0.5874 -0.5580 -0.0873 0.110 Uiso 1 1 calc R . .
C6 C 0.3648(4) -0.6404(5) -0.2937(3) 0.0500(15) Uani 1 1 d . . .
H6A H 0.4212 -0.6235 -0.3015 0.060 Uiso 1 1 calc R . .
H6B H 0.3544 -0.7130 -0.2990 0.060 Uiso 1 1 calc R . .
C7 C 0.2529(5) -0.6106(5) -0.4095(3) 0.0553(16) Uani 1 1 d . . .
H7A H 0.2534 -0.6833 -0.4154 0.066 Uiso 1 1 calc R . .
H7B H 0.3074 -0.5817 -0.4155 0.066 Uiso 1 1 calc R . .
C8 C 0.1531(5) -0.5690(5) -0.4605(3) 0.0570(17) Uani 1 1 d . . .
H8A H 0.1020 -0.5843 -0.4476 0.068 Uiso 1 1 calc R . .
H8B H 0.1338 -0.6050 -0.5010 0.068 Uiso 1 1 calc R . .
C9 C 0.1483(5) -0.4573(5) -0.4744(3) 0.0565(17) Uani 1 1 d . . .
H9A H 0.2085 -0.4384 -0.4775 0.068 Uiso 1 1 calc R . .
H9B H 0.0891 -0.4442 -0.5166 0.068 Uiso 1 1 calc R . .
C10 C 0.1229(5) -0.2862(5) -0.4477(3) 0.0621(18) Uani 1 1 d . . .
H10A H 0.0534 -0.2795 -0.4831 0.074 Uiso 1 1 calc R . .
H10B H 0.1689 -0.2671 -0.4642 0.074 Uiso 1 1 calc R . .
C11 C 0.2445(5) -0.1095(6) -0.3038(3) 0.0607(18) Uani 1 1 d . . .
H11A H 0.3068 -0.0765 -0.2803 0.073 Uiso 1 1 calc R . .
C12 C 0.2290(5) -0.1680(6) -0.3566(3) 0.0614(18) Uani 1 1 d . . .
H12A H 0.2806 -0.1743 -0.3677 0.074 Uiso 1 1 calc R . .
C13 C 0.1387(4) -0.2166(5) -0.3925(3) 0.0469(14) Uani 1 1 d . . .
C14 C 0.0645(4) -0.2019(5) -0.3748(3) 0.0574(17) Uani 1 1 d . . .
H14A H 0.0004 -0.2309 -0.3993 0.069 Uiso 1 1 calc R . .
C15 C 0.0849(5) -0.1445(5) -0.3212(3) 0.0568(17) Uani 1 1 d . . .
H15A H 0.0343 -0.1374 -0.3093 0.068 Uiso 1 1 calc R . .
C16 C 0.2431(5) -0.3235(5) -0.2070(3) 0.0590(17) Uani 1 1 d . . .
H16A H 0.1800 -0.3545 -0.2318 0.071 Uiso 1 1 calc R . .
C17 C 0.2571(5) -0.2631(6) -0.1551(3) 0.0624(19) Uani 1 1 d . . .
H17A H 0.2035 -0.2532 -0.1463 0.075 Uiso 1 1 calc R . .
C18 C 0.3489(5) -0.2180(5) -0.1167(3) 0.0531(16) Uani 1 1 d . . .
C19 C 0.4264(5) -0.2377(6) -0.1312(3) 0.065(2) Uani 1 1 d . . .
H19A H 0.4911 -0.2105 -0.1057 0.078 Uiso 1 1 calc R . .
C20 C 0.4061(5) -0.2982(6) -0.1842(3) 0.065(2) Uani 1 1 d . . .
H20A H 0.4593 -0.3111 -0.1931 0.078 Uiso 1 1 calc R . .
C21 C 0.3625(5) -0.1457(6) -0.0623(3) 0.0622(18) Uani 1 1 d . . .
H21A H 0.3132 -0.1619 -0.0479 0.075 Uiso 1 1 calc R . .
H21B H 0.4304 -0.1537 -0.0253 0.075 Uiso 1 1 calc R . .
C22 C 0.3426(5) 0.0299(6) -0.0376(3) 0.064(2) Uani 1 1 d . . .
H22A H 0.4026 0.0192 0.0045 0.077 Uiso 1 1 calc R . .
H22B H 0.2833 0.0122 -0.0333 0.077 Uiso 1 1 calc R . .
C23 C 0.3364(5) 0.1404(6) -0.0544(3) 0.0652(19) Uani 1 1 d . . .
H23A H 0.3868 0.1540 -0.0682 0.078 Uiso 1 1 calc R . .
H23B H 0.3562 0.1789 -0.0147 0.078 Uiso 1 1 calc R . .
C24 C 0.2344(5) 0.1809(6) -0.1066(3) 0.0608(18) Uani 1 1 d . . .
H24A H 0.1806 0.1543 -0.0991 0.073 Uiso 1 1 calc R . .
H24B H 0.2341 0.2541 -0.1030 0.073 Uiso 1 1 calc R . .
C25 C 0.1176(5) 0.1999(6) -0.2230(3) 0.0588(17) Uani 1 1 d . . .
H25A H 0.1254 0.2730 -0.2214 0.071 Uiso 1 1 calc R . .
H25B H 0.0628 0.1838 -0.2136 0.071 Uiso 1 1 calc R . .
C26 C -0.0310(5) 0.0925(7) -0.3915(4) 0.078(2) Uani 1 1 d . . .
H26A H -0.0976 0.0706 -0.4183 0.093 Uiso 1 1 calc R . .
C27 C -0.0069(5) 0.1287(7) -0.3315(3) 0.072(2) Uani 1 1 d . . .
H27A H -0.0565 0.1301 -0.3184 0.087 Uiso 1 1 calc R . .
C28 C 0.0895(5) 0.1634(5) -0.2901(3) 0.0513(15) Uani 1 1 d . . .
C29 C 0.1571(5) 0.1600(6) -0.3139(3) 0.0635(19) Uani 1 1 d . . .
H29A H 0.2232 0.1840 -0.2883 0.076 Uiso 1 1 calc R . .
C30 C 0.1292(6) 0.1221(6) -0.3742(3) 0.0626(18) Uani 1 1 d . . .
H30A H 0.1775 0.1207 -0.3884 0.075 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 N1 2.128(5) . ?
Ag1 N1 2.128(5) 3_645 ?
Ag2 N5 2.221(5) . ?
Ag2 N2 2.343(5) . ?
Ag2 N3 2.365(5) . ?
Ag3 N4 2.202(5) . ?
Ag3 N7 2.318(5) . ?
Ag3 N6 2.341(5) . ?
Ag4 N8 2.138(6) 3_554 ?
Ag4 N8 2.138(6) . ?
Cl1 O2 1.286(9) . ?
Cl1 O1 1.315(10) . ?
Cl1 O4 1.321(6) . ?
Cl1 O3 1.403(7) . ?
Cl2 O7 1.396(5) . ?
Cl2 O5 1.405(6) . ?
Cl2 O6 1.414(6) . ?
Cl2 O8 1.422(5) . ?
Cl3 O10 1.307(8) . ?
Cl3 O9 1.358(10) . ?
Cl3 O11 1.377(6) . ?
Cl3 O12 1.403(6) . ?
N1 C5 1.324(8) . ?
N1 C1 1.326(8) . ?
N2 C6 1.452(7) . ?
N2 C7 1.481(7) . ?
N2 H2N 0.86(3) . ?
N3 C9 1.471(7) . ?
N3 C10 1.478(8) . ?
N3 H3N 0.86(3) . ?
N4 C11 1.325(7) . ?
N4 C15 1.335(8) . ?
N5 C20 1.324(7) . ?
N5 C16 1.333(7) . ?
N6 C21 1.475(9) . ?
N6 C22 1.481(8) . ?
N6 H6N 0.86(3) . ?
N7 C25 1.468(8) . ?
N7 C24 1.471(7) . ?
N7 H7N 0.86(3) . ?
N8 C26 1.334(8) . ?
N8 C30 1.346(9) . ?
C1 C2 1.385(8) . ?
C1 H1A 0.9300 . ?
C2 C3 1.378(7) . ?
C2 H2A 0.9300 . ?
C3 C4 1.378(8) . ?
C3 C6 1.501(8) . ?
C4 C5 1.367(9) . ?
C4 H4A 0.9300 . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C8 1.493(9) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.504(10) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C13 1.508(8) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.377(9) . ?
C11 H11A 0.9300 . ?
C12 C13 1.358(8) . ?
C12 H12A 0.9300 . ?
C13 C14 1.373(8) . ?
C14 C15 1.366(8) . ?
C14 H14A 0.9300 . ?
C15 H15A 0.9300 . ?
C16 C17 1.381(8) . ?
C16 H16A 0.9300 . ?
C17 C18 1.361(8) . ?
C17 H17A 0.9300 . ?
C18 C19 1.381(8) . ?
C18 C21 1.525(8) . ?
C19 C20 1.379(9) . ?
C19 H19A 0.9300 . ?
C20 H20A 0.9300 . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C23 1.502(10) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C24 1.518(9) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 C28 1.493(8) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 C27 1.355(9) . ?
C26 H26A 0.9300 . ?
C27 C28 1.371(9) . ?
C27 H27A 0.9300 . ?
C28 C29 1.372(8) . ?
C29 C30 1.357(9) . ?
C29 H29A 0.9300 . ?
C30 H30A 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
N1 Ag1 N1 180.0 . 3_645 ?
N5 Ag2 N2 131.64(18) . . ?
N5 Ag2 N3 133.10(17) . . ?
N2 Ag2 N3 88.03(17) . . ?
N4 Ag3 N7 130.32(18) . . ?
N4 Ag3 N6 133.42(19) . . ?
N7 Ag3 N6 89.83(19) . . ?
N8 Ag4 N8 180.000(1) 3_554 . ?
O2 Cl1 O1 93.9(10) . . ?
O2 Cl1 O4 109.0(8) . . ?
O1 Cl1 O4 116.1(7) . . ?
O2 Cl1 O3 111.9(8) . . ?
O1 Cl1 O3 109.3(7) . . ?
O4 Cl1 O3 114.8(4) . . ?
O7 Cl2 O5 109.7(4) . . ?
O7 Cl2 O6 109.6(4) . . ?
O5 Cl2 O6 109.5(5) . . ?
O7 Cl2 O8 109.0(4) . . ?
O5 Cl2 O8 110.3(4) . . ?
O6 Cl2 O8 108.7(3) . . ?
O10 Cl3 O9 102.6(8) . . ?
O10 Cl3 O11 116.7(7) . . ?
O9 Cl3 O11 108.0(6) . . ?
O10 Cl3 O12 105.6(7) . . ?
O9 Cl3 O12 115.1(7) . . ?
O11 Cl3 O12 109.1(4) . . ?
C5 N1 C1 115.9(6) . . ?
C5 N1 Ag1 120.2(5) . . ?
C1 N1 Ag1 123.5(4) . . ?
C6 N2 C7 111.9(4) . . ?
C6 N2 Ag2 111.4(4) . . ?
C7 N2 Ag2 115.1(4) . . ?
C6 N2 H2N 112(5) . . ?
C7 N2 H2N 100(4) . . ?
Ag2 N2 H2N 105(5) . . ?
C9 N3 C10 110.5(5) . . ?
C9 N3 Ag2 114.9(4) . . ?
C10 N3 Ag2 115.6(4) . . ?
C9 N3 H3N 109(5) . . ?
C10 N3 H3N 104(5) . . ?
Ag2 N3 H3N 102(4) . . ?
C11 N4 C15 117.0(5) . . ?
C11 N4 Ag3 118.2(4) . . ?
C15 N4 Ag3 124.6(4) . . ?
C20 N5 C16 116.2(5) . . ?
C20 N5 Ag2 125.3(4) . . ?
C16 N5 Ag2 118.2(4) . . ?
C21 N6 C22 111.3(5) . . ?
C21 N6 Ag3 114.4(4) . . ?
C22 N6 Ag3 114.3(4) . . ?
C21 N6 H6N 110(5) . . ?
C22 N6 H6N 107(5) . . ?
Ag3 N6 H6N 98(5) . . ?
C25 N7 C24 111.8(5) . . ?
C25 N7 Ag3 110.9(4) . . ?
C24 N7 Ag3 116.0(4) . . ?
C25 N7 H7N 100(5) . . ?
C24 N7 H7N 111(5) . . ?
Ag3 N7 H7N 105(5) . . ?
C26 N8 C30 115.3(6) . . ?
C26 N8 Ag4 121.0(5) . . ?
C30 N8 Ag4 122.6(4) . . ?
N1 C1 C2 123.7(6) . . ?
N1 C1 H1A 118.2 . . ?
C2 C1 H1A 118.2 . . ?
C3 C2 C1 119.7(5) . . ?
C3 C2 H2A 120.2 . . ?
C1 C2 H2A 120.2 . . ?
C2 C3 C4 116.5(6) . . ?
C2 C3 C6 123.4(5) . . ?
C4 C3 C6 120.2(5) . . ?
C5 C4 C3 119.8(6) . . ?
C5 C4 H4A 120.1 . . ?
C3 C4 H4A 120.1 . . ?
N1 C5 C4 124.4(6) . . ?
N1 C5 H5A 117.8 . . ?
C4 C5 H5A 117.8 . . ?
N2 C6 C3 113.0(5) . . ?
N2 C6 H6A 109.0 . . ?
C3 C6 H6A 109.0 . . ?
N2 C6 H6B 109.0 . . ?
C3 C6 H6B 109.0 . . ?
H6A C6 H6B 107.8 . . ?
N2 C7 C8 113.1(5) . . ?
N2 C7 H7A 109.0 . . ?
C8 C7 H7A 109.0 . . ?
N2 C7 H7B 109.0 . . ?
C8 C7 H7B 109.0 . . ?
H7A C7 H7B 107.8 . . ?
C7 C8 C9 117.3(6) . . ?
C7 C8 H8A 108.0 . . ?
C9 C8 H8A 108.0 . . ?
C7 C8 H8B 108.0 . . ?
C9 C8 H8B 108.0 . . ?
H8A C8 H8B 107.2 . . ?
N3 C9 C8 114.6(5) . . ?
N3 C9 H9A 108.6 . . ?
C8 C9 H9A 108.6 . . ?
N3 C9 H9B 108.6 . . ?
C8 C9 H9B 108.6 . . ?
H9A C9 H9B 107.6 . . ?
N3 C10 C13 110.6(5) . . ?
N3 C10 H10A 109.5 . . ?
C13 C10 H10A 109.5 . . ?
N3 C10 H10B 109.5 . . ?
C13 C10 H10B 109.5 . . ?
H10A C10 H10B 108.1 . . ?
N4 C11 C12 122.7(6) . . ?
N4 C11 H11A 118.7 . . ?
C12 C11 H11A 118.7 . . ?
C13 C12 C11 120.3(6) . . ?
C13 C12 H12A 119.8 . . ?
C11 C12 H12A 119.8 . . ?
C12 C13 C14 117.0(6) . . ?
C12 C13 C10 120.9(6) . . ?
C14 C13 C10 122.0(6) . . ?
C15 C14 C13 120.1(6) . . ?
C15 C14 H14A 120.0 . . ?
C13 C14 H14A 120.0 . . ?
N4 C15 C14 122.8(5) . . ?
N4 C15 H15A 118.6 . . ?
C14 C15 H15A 118.6 . . ?
N5 C16 C17 122.8(6) . . ?
N5 C16 H16A 118.6 . . ?
C17 C16 H16A 118.6 . . ?
C18 C17 C16 120.6(6) . . ?
C18 C17 H17A 119.7 . . ?
C16 C17 H17A 119.7 . . ?
C17 C18 C19 117.0(6) . . ?
C17 C18 C21 120.6(6) . . ?
C19 C18 C21 122.3(6) . . ?
C20 C19 C18 119.0(6) . . ?
C20 C19 H19A 120.5 . . ?
C18 C19 H19A 120.5 . . ?
N5 C20 C19 124.3(5) . . ?
N5 C20 H20A 117.9 . . ?
C19 C20 H20A 117.9 . . ?
N6 C21 C18 110.4(5) . . ?
N6 C21 H21A 109.6 . . ?
C18 C21 H21A 109.6 . . ?
N6 C21 H21B 109.6 . . ?
C18 C21 H21B 109.6 . . ?
H21A C21 H21B 108.1 . . ?
N6 C22 C23 115.3(5) . . ?
N6 C22 H22A 108.5 . . ?
C23 C22 H22A 108.5 . . ?
N6 C22 H22B 108.5 . . ?
C23 C22 H22B 108.5 . . ?
H22A C22 H22B 107.5 . . ?
C22 C23 C24 117.6(6) . . ?
C22 C23 H23A 107.9 . . ?
C24 C23 H23A 107.9 . . ?
C22 C23 H23B 107.9 . . ?
C24 C23 H23B 107.9 . . ?
H23A C23 H23B 107.2 . . ?
N7 C24 C23 112.7(5) . . ?
N7 C24 H24A 109.1 . . ?
C23 C24 H24A 109.1 . . ?
N7 C24 H24B 109.1 . . ?
C23 C24 H24B 109.1 . . ?
H24A C24 H24B 107.8 . . ?
N7 C25 C28 111.8(5) . . ?
N7 C25 H25A 109.2 . . ?
C28 C25 H25A 109.2 . . ?
N7 C25 H25B 109.2 . . ?
C28 C25 H25B 109.2 . . ?
H25A C25 H25B 107.9 . . ?
N8 C26 C27 124.0(7) . . ?
N8 C26 H26A 118.0 . . ?
C27 C26 H26A 118.0 . . ?
C26 C27 C28 120.7(6) . . ?
C26 C27 H27A 119.6 . . ?
C28 C27 H27A 119.6 . . ?
C27 C28 C29 115.6(6) . . ?
C27 C28 C25 121.0(5) . . ?
C29 C28 C25 123.4(6) . . ?
C30 C29 C28 121.2(6) . . ?
C30 C29 H29A 119.4 . . ?
C28 C29 H29A 119.4 . . ?
N8 C30 C29 123.1(6) . . ?
N8 C30 H30A 118.5 . . ?
C29 C30 H30A 118.5 . . ?

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
N5 Ag2 N2 C6 -43.6(4) . . . . ?
N3 Ag2 N2 C6 164.3(4) . . . . ?
N5 Ag2 N2 C7 -172.3(3) . . . . ?
N3 Ag2 N2 C7 35.6(4) . . . . ?
N5 Ag2 N3 C9 174.5(4) . . . . ?
N2 Ag2 N3 C9 -34.0(4) . . . . ?
N5 Ag2 N3 C10 43.9(5) . . . . ?
N2 Ag2 N3 C10 -164.7(4) . . . . ?
N7 Ag3 N4 C11 87.9(5) . . . . ?
N6 Ag3 N4 C11 -55.0(6) . . . . ?
N7 Ag3 N4 C15 -98.1(5) . . . . ?
N6 Ag3 N4 C15 119.0(5) . . . . ?
N2 Ag2 N5 C20 96.2(6) . . . . ?
N3 Ag2 N5 C20 -123.6(6) . . . . ?
N2 Ag2 N5 C16 -90.3(5) . . . . ?
N3 Ag2 N5 C16 49.9(6) . . . . ?
N4 Ag3 N6 C21 -45.8(5) . . . . ?
N7 Ag3 N6 C21 161.5(4) . . . . ?
N4 Ag3 N6 C22 -175.8(4) . . . . ?
N7 Ag3 N6 C22 31.6(4) . . . . ?
N4 Ag3 N7 C25 43.2(4) . . . . ?
N6 Ag3 N7 C25 -162.8(4) . . . . ?
N4 Ag3 N7 C24 172.1(4) . . . . ?
N6 Ag3 N7 C24 -33.8(4) . . . . ?
C5 N1 C1 C2 0.6(12) . . . . ?
Ag1 N1 C1 C2 173.7(5) . . . . ?
N1 C1 C2 C3 -1.2(11) . . . . ?
C1 C2 C3 C4 0.6(10) . . . . ?
C1 C2 C3 C6 -178.8(6) . . . . ?
C2 C3 C4 C5 0.3(12) . . . . ?
C6 C3 C4 C5 179.7(8) . . . . ?
C1 N1 C5 C4 0.4(14) . . . . ?
Ag1 N1 C5 C4 -172.9(8) . . . . ?
C3 C4 C5 N1 -0.9(16) . . . . ?
C7 N2 C6 C3 174.4(5) . . . . ?
Ag2 N2 C6 C3 43.9(6) . . . . ?
C2 C3 C6 N2 41.3(9) . . . . ?
C4 C3 C6 N2 -138.1(7) . . . . ?
C6 N2 C7 C8 173.5(5) . . . . ?
Ag2 N2 C7 C8 -58.1(6) . . . . ?
N2 C7 C8 C9 78.0(7) . . . . ?
C10 N3 C9 C8 -171.9(5) . . . . ?
Ag2 N3 C9 C8 55.1(6) . . . . ?
C7 C8 C9 N3 -76.9(7) . . . . ?
C9 N3 C10 C13 -168.0(5) . . . . ?
Ag2 N3 C10 C13 -35.3(6) . . . . ?
C15 N4 C11 C12 -1.7(10) . . . . ?
Ag3 N4 C11 C12 172.7(6) . . . . ?
N4 C11 C12 C13 0.5(11) . . . . ?
C11 C12 C13 C14 2.0(10) . . . . ?
C11 C12 C13 C10 -176.1(6) . . . . ?
N3 C10 C13 C12 96.0(7) . . . . ?
N3 C10 C13 C14 -81.9(8) . . . . ?
C12 C13 C14 C15 -3.2(10) . . . . ?
C10 C13 C14 C15 174.8(6) . . . . ?
C11 N4 C15 C14 0.4(10) . . . . ?
Ag3 N4 C15 C14 -173.7(5) . . . . ?
C13 C14 C15 N4 2.2(11) . . . . ?
C20 N5 C16 C17 3.8(10) . . . . ?
Ag2 N5 C16 C17 -170.3(6) . . . . ?
N5 C16 C17 C18 -1.4(12) . . . . ?
C16 C17 C18 C19 -1.6(11) . . . . ?
C16 C17 C18 C21 175.9(7) . . . . ?
C17 C18 C19 C20 2.1(11) . . . . ?
C21 C18 C19 C20 -175.4(7) . . . . ?
C16 N5 C20 C19 -3.3(11) . . . . ?
Ag2 N5 C20 C19 170.3(6) . . . . ?
C18 C19 C20 N5 0.4(12) . . . . ?
C22 N6 C21 C18 170.0(5) . . . . ?
Ag3 N6 C21 C18 38.5(6) . . . . ?
C17 C18 C21 N6 -95.1(8) . . . . ?
C19 C18 C21 N6 82.2(8) . . . . ?
C21 N6 C22 C23 175.3(6) . . . . ?
Ag3 N6 C22 C23 -53.2(7) . . . . ?
N6 C22 C23 C24 76.6(7) . . . . ?
C25 N7 C24 C23 -175.8(6) . . . . ?
Ag3 N7 C24 C23 55.7(6) . . . . ?
C22 C23 C24 N7 -76.9(7) . . . . ?
C24 N7 C25 C28 -173.6(5) . . . . ?
Ag3 N7 C25 C28 -42.5(6) . . . . ?
C30 N8 C26 C27 -2.0(12) . . . . ?
Ag4 N8 C26 C27 166.7(7) . . . . ?
N8 C26 C27 C28 0.8(14) . . . . ?
C26 C27 C28 C29 1.0(12) . . . . ?
C26 C27 C28 C25 -177.8(7) . . . . ?
N7 C25 C28 C27 130.5(7) . . . . ?
N7 C25 C28 C29 -48.1(9) . . . . ?
C27 C28 C29 C30 -1.6(11) . . . . ?
C25 C28 C29 C30 177.1(7) . . . . ?
C26 N8 C30 C29 1.3(11) . . . . ?
Ag4 N8 C30 C29 -167.2(6) . . . . ?
C28 C29 C30 N8 0.4(12) . . . . ?

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
N2 H2N O8 0.86(3) 2.28(3) 3.088(6) 156(6) 2_544
N3 H3N O6 0.86(3) 2.47(3) 3.246(7) 150(6) 2_544
N6 H6N O3 0.86(3) 2.39(3) 3.200(8) 157(6) 2_654
N7 H7N O4 0.86(3) 2.36(4) 3.089(7) 143(6) 2_654

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        27.56
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.073
_refine_diff_density_min         -0.709
_refine_diff_density_rms         0.097
