# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_csp_gt_agpy_0m
_database_code_depnum_ccdc_archive 'CCDC 1421276'
_audit_update_record             
;
2016-05-28 deposited with the CCDC.
2016-06-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H37 Ag3 Co N10 O11'
_chemical_formula_weight         1240.36

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'
Co Co 0.3494 0.9721 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P-1   '

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

_cell_length_a                   10.2257(2)
_cell_length_b                   12.3002(2)
_cell_length_c                   19.2829(3)
_cell_angle_alpha                77.1530(10)
_cell_angle_beta                 77.7610(10)
_cell_angle_gamma                72.0520(10)
_cell_volume                     2222.51(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    6345
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      25.72

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.084
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.853
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1230
_exptl_absorpt_coefficient_mu    1.741
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.6167
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   SADABS-2008/1

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            32308
_diffrn_reflns_av_R_equivalents  0.0407
_diffrn_reflns_av_sigmaI/netI    0.0481
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.91
_diffrn_reflns_theta_max         27.89
_reflns_number_total             10611
_reflns_number_gt                7133
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT A'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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 > 2σ(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)+(0.0787P)²+3.7220P] 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         10611
_refine_ls_number_parameters     587
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0877
_refine_ls_R_factor_gt           0.0557
_refine_ls_wR_factor_ref         0.1662
_refine_ls_wR_factor_gt          0.1432
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C13 C 0.4724(5) 0.8789(5) 0.1210(3) 0.0407(12) Uani 1 1 d . . .
H13A H 0.4094 0.9557 0.1232 0.049 Uiso 1 1 calc R . .
H13B H 0.4322 0.8391 0.0965 0.049 Uiso 1 1 calc R . .
C14 C 0.6092(6) 0.8910(4) 0.0769(3) 0.0411(12) Uani 1 1 d . . .
C15 C 0.6424(7) 0.8690(5) 0.0064(3) 0.0587(17) Uani 1 1 d . . .
H15 H 0.5794 0.8478 -0.0128 0.070 Uiso 1 1 calc R . .
C16 C 0.7658(9) 0.8783(7) -0.0349(4) 0.086(3) Uani 1 1 d . . .
H16 H 0.7837 0.8690 -0.0829 0.103 Uiso 1 1 calc R . .
C17 C 0.8586(10) 0.9001(11) -0.0072(5) 0.119(4) Uani 1 1 d . . .
H17 H 0.9453 0.8993 -0.0347 0.143 Uiso 1 1 calc R . .
C18 C 0.8323(11) 0.9241(10) 0.0613(5) 0.112(3) Uani 1 1 d . . .
H18 H 0.8989 0.9427 0.0791 0.135 Uiso 1 1 calc R . .
C19 C 0.7022(11) 0.9203(10) 0.1050(5) 0.112(3) Uani 1 1 d . . .
H19 H 0.6815 0.9374 0.1514 0.135 Uiso 1 1 calc R . .
C20 C 0.2698(5) 0.6127(5) 0.2421(3) 0.0354(11) Uani 1 1 d . . .
H20A H 0.2908 0.5668 0.2883 0.042 Uiso 1 1 calc R . .
H20B H 0.2236 0.5725 0.2213 0.042 Uiso 1 1 calc R . .
C21 C 0.1705(5) 0.7289(5) 0.2545(3) 0.0377(11) Uani 1 1 d . . .
C22 C 0.1349(6) 0.8161(5) 0.1966(3) 0.0475(13) Uani 1 1 d . . .
H22 H 0.1747 0.8038 0.1499 0.057 Uiso 1 1 calc R . .
C23 C 0.0407(7) 0.9210(6) 0.2079(4) 0.0619(17) Uani 1 1 d . . .
H23 H 0.0181 0.9788 0.1687 0.074 Uiso 1 1 calc R . .
C24 C -0.0197(7) 0.9408(6) 0.2761(4) 0.0682(19) Uani 1 1 d . . .
H24 H -0.0840 1.0112 0.2834 0.082 Uiso 1 1 calc R . .
C25 C 0.0164(7) 0.8546(7) 0.3336(4) 0.0651(19) Uani 1 1 d . . .
H25 H -0.0232 0.8675 0.3802 0.078 Uiso 1 1 calc R . .
C26 C 0.1108(6) 0.7492(6) 0.3232(3) 0.0506(14) Uani 1 1 d . . .
H26 H 0.1339 0.6919 0.3626 0.061 Uiso 1 1 calc R . .
C28 C 0.6079(6) 0.3368(5) 0.2181(3) 0.0441(12) Uani 1 1 d . . .
C29 C 0.4806(7) 0.3229(6) 0.2534(4) 0.0589(16) Uani 1 1 d . . .
H29 H 0.4446 0.3476 0.2975 0.071 Uiso 1 1 calc R . .
C30 C 0.4055(9) 0.2728(8) 0.2244(5) 0.085(2) Uani 1 1 d . . .
H30 H 0.3202 0.2634 0.2493 0.102 Uiso 1 1 calc R . .
C31 C 0.4549(12) 0.2377(8) 0.1604(6) 0.098(3) Uani 1 1 d . . .
H31 H 0.4040 0.2038 0.1413 0.118 Uiso 1 1 calc R . .
C32 C 0.5796(11) 0.2516(8) 0.1233(5) 0.091(3) Uani 1 1 d . . .
H32 H 0.6127 0.2280 0.0787 0.110 Uiso 1 1 calc R . .
C33 C 0.6580(8) 0.3011(6) 0.1519(3) 0.0630(17) Uani 1 1 d . . .
H33 H 0.7433 0.3099 0.1267 0.076 Uiso 1 1 calc R . .
C34 C 0.7855(5) 0.7065(5) 0.2769(2) 0.0354(11) Uani 1 1 d . . .
H34A H 0.7103 0.7702 0.2934 0.042 Uiso 1 1 calc R . .
H34B H 0.8652 0.7362 0.2556 0.042 Uiso 1 1 calc R . .
C35 C 0.8229(6) 0.6137(5) 0.3411(3) 0.0438(13) Uani 1 1 d . . .
C36 C 0.9164(7) 0.5084(6) 0.3305(4) 0.0614(17) Uani 1 1 d . . .
H36 H 0.9530 0.4938 0.2840 0.074 Uiso 1 1 calc R . .
C37 C 0.9559(10) 0.4247(8) 0.3890(5) 0.090(3) Uani 1 1 d . . .
H37 H 1.0209 0.3546 0.3817 0.108 Uiso 1 1 calc R . .
C38 C 0.8995(12) 0.4446(10) 0.4574(5) 0.103(4) Uani 1 1 d . . .
H38 H 0.9243 0.3870 0.4964 0.124 Uiso 1 1 calc R . .
C39 C 0.8082(11) 0.5474(10) 0.4689(4) 0.092(3) Uani 1 1 d . . .
H39 H 0.7723 0.5606 0.5158 0.111 Uiso 1 1 calc R . .
C40 C 0.7674(8) 0.6337(7) 0.4109(3) 0.0668(19) Uani 1 1 d . . .
H40 H 0.7037 0.7040 0.4189 0.080 Uiso 1 1 calc R . .
C41 C 0.6457(13) -0.0251(12) 0.4200(8) 0.132(4) Uani 1 1 d . . .
H41A H 0.7204 -0.0810 0.3958 0.159 Uiso 1 1 calc R . .
H41B H 0.5840 -0.0662 0.4529 0.159 Uiso 1 1 calc R . .
C42 C 0.5718(16) 0.0586(13) 0.3690(8) 0.168(6) Uani 1 1 d . . .
H42A H 0.4983 0.1137 0.3932 0.252 Uiso 1 1 calc R . .
H42B H 0.5330 0.0211 0.3429 0.252 Uiso 1 1 calc R . .
H42C H 0.6339 0.0979 0.3360 0.252 Uiso 1 1 calc R . .
N9 N 0.0250(5) 0.2882(5) 0.1656(3) 0.0527(12) Uani 1 1 d . . .
N10 N 1.0449(7) 0.1218(5) 0.4286(4) 0.0775(18) Uani 1 1 d . . .
O2 O 0.9626(3) 0.6393(3) 0.15354(19) 0.0427(9) Uani 1 1 d . . .
O5 O 0.9680(8) 0.1453(6) 0.3814(4) 0.1059(15) Uani 1 1 d . . .
O6 O 1.1700(6) 0.0852(5) 0.4107(4) 0.108(2) Uani 1 1 d . . .
O7 O 0.9916(7) 0.1363(6) 0.4900(3) 0.106(2) Uani 1 1 d . . .
O8 O 0.1027(6) 0.3095(5) 0.1989(3) 0.0805(11) Uani 1 1 d . . .
O9 O -0.0052(6) 0.1966(4) 0.1843(3) 0.0777(15) Uani 1 1 d . . .
O10 O -0.0194(6) 0.3611(5) 0.1147(3) 0.0805(11) Uani 1 1 d . . .
O11 O 0.7012(8) 0.0306(6) 0.4586(4) 0.1059(15) Uani 1 1 d . . .
C1 C 0.5648(4) 0.5920(4) 0.0922(2) 0.0283(9) Uani 1 1 d . . .
C2 C 0.6266(5) 0.5684(5) 0.0239(2) 0.0352(11) Uani 1 1 d . . .
H2 H 0.5748 0.5528 -0.0050 0.042 Uiso 1 1 calc R . .
C3 C 0.7741(4) 0.6133(4) 0.1093(2) 0.0280(9) Uani 1 1 d . . .
C4 C 0.8322(5) 0.5903(4) 0.0406(2) 0.0313(10) Uani 1 1 d . . .
H4 H 0.9242 0.5908 0.0235 0.038 Uiso 1 1 calc R . .
C5 C 0.4209(5) 0.5930(4) 0.1294(2) 0.0333(10) Uani 1 1 d . . .
C6 C 0.8367(5) 0.6410(4) 0.1648(2) 0.0308(10) Uani 1 1 d . . .
C7 C 0.4147(5) 0.7976(4) 0.3187(2) 0.0319(10) Uani 1 1 d . . .
C8 C 0.3548(5) 0.8239(5) 0.3865(3) 0.0388(11) Uani 1 1 d . . .
H8 H 0.3129 0.9008 0.3918 0.047 Uiso 1 1 calc R . .
C9 C 0.4823(5) 0.6010(4) 0.3693(2) 0.0309(10) Uani 1 1 d . . .
C10 C 0.4186(5) 0.6308(4) 0.4359(2) 0.0360(11) Uani 1 1 d . . .
H10 H 0.4193 0.5724 0.4760 0.043 Uiso 1 1 calc R . .
C11 C 0.4155(5) 0.8758(4) 0.2476(2) 0.0332(10) Uani 1 1 d . . .
C12 C 0.5604(5) 0.4857(4) 0.3499(2) 0.0311(10) Uani 1 1 d . . .
C27 C 0.6905(5) 0.3888(4) 0.2512(3) 0.0353(11) Uani 1 1 d . . .
H27A H 0.7312 0.3318 0.2899 0.042 Uiso 1 1 calc R . .
H27B H 0.7660 0.4072 0.2151 0.042 Uiso 1 1 calc R . .
N1 N 0.4764(4) 0.6871(3) 0.31240(18) 0.0272(8) Uani 1 1 d . . .
N2 N 0.3563(4) 0.7401(4) 0.4446(2) 0.0410(10) Uani 1 1 d . . .
N3 N 0.6410(4) 0.6137(3) 0.13250(18) 0.0274(8) Uani 1 1 d . . .
N4 N 0.7599(4) 0.5676(4) -0.0013(2) 0.0360(9) Uani 1 1 d . . .
N5 N 0.4817(4) 0.8165(3) 0.19388(19) 0.0307(8) Uani 1 1 d . . .
N6 N 0.6067(4) 0.4938(3) 0.27971(19) 0.0288(8) Uani 1 1 d . . .
N7 N 0.3999(4) 0.6191(3) 0.19523(19) 0.0295(8) Uani 1 1 d . . .
N8 N 0.7431(4) 0.6662(3) 0.22164(19) 0.0298(8) Uani 1 1 d . . .
Co1 Co 0.55824(6) 0.64963(5) 0.22270(3) 0.02481(14) Uani 1 1 d . . .
Ag1 Ag 0.15116(5) 0.49240(5) 0.11553(2) 0.05777(16) Uani 1 1 d . . .
Ag2 Ag 0.13861(6) 1.08397(5) 0.27624(3) 0.06959(19) Uani 1 1 d . . .
Ag3 Ag 0.73670(7) 0.22731(5) 0.43517(3) 0.0781(2) Uani 1 1 d . . .
O1 O 0.3402(4) 0.5706(4) 0.09808(19) 0.0479(9) Uani 1 1 d . . .
O3 O 0.3587(4) 0.9825(3) 0.2429(2) 0.0456(9) Uani 1 1 d . . .
O4 O 0.5729(4) 0.3982(3) 0.39870(18) 0.0447(9) Uani 1 1 d . . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
C13 N5 1.451(6) . ?
C13 C14 1.507(7) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C19 1.358(10) . ?
C14 C15 1.397(8) . ?
C15 C16 1.365(10) . ?
C15 H15 0.9300 . ?
C16 C17 1.301(13) . ?
C16 H16 0.9300 . ?
C17 C18 1.370(14) . ?
C17 H17 0.9300 . ?
C18 C19 1.424(13) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 N7 1.454(5) . ?
C20 C21 1.512(7) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C26 1.378(7) . ?
C21 C22 1.389(8) . ?
C22 C23 1.382(9) . ?
C22 H22 0.9300 . ?
C23 C24 1.369(10) . ?
C23 H23 0.9300 . ?
C24 C25 1.380(10) . ?
C24 H24 0.9300 . ?
C25 C26 1.384(9) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C28 C29 1.378(9) . ?
C28 C33 1.385(8) . ?
C28 C27 1.508(8) . ?
C29 C30 1.382(10) . ?
C29 H29 0.9300 . ?
C30 C31 1.343(12) . ?
C30 H30 0.9300 . ?
C31 C32 1.363(13) . ?
C31 H31 0.9300 . ?
C32 C33 1.398(11) . ?
C32 H32 0.9300 . ?
C33 H33 0.9300 . ?
C34 N8 1.461(6) . ?
C34 C35 1.512(7) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C35 C36 1.380(9) . ?
C35 C40 1.390(8) . ?
C36 C37 1.384(10) . ?
C36 H36 0.9300 . ?
C37 C38 1.366(13) . ?
C37 H37 0.9300 . ?
C38 C39 1.352(14) . ?
C38 H38 0.9300 . ?
C39 C40 1.396(12) . ?
C39 H39 0.9300 . ?
C40 H40 0.9300 . ?
C41 C42 1.409(16) . ?
C41 O11 1.411(12) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
N9 O9 1.217(7) . ?
N9 O10 1.233(7) . ?
N9 O8 1.238(7) . ?
N10 O6 1.220(8) . ?
N10 O7 1.221(8) . ?
N10 O5 1.255(9) . ?
O2 C6 1.254(6) . ?
O2 Ag1 2.316(4) 1_655 ?
O5 Ag3 2.375(7) . ?
O5 Ag2 2.469(7) 1_645 ?
O8 Ag1 2.575(5) . ?
O9 Ag2 2.446(5) 1_545 ?
C1 N3 1.326(6) . ?
C1 C2 1.387(6) . ?
C1 C5 1.492(6) . ?
C2 N4 1.344(6) . ?
C2 H2 0.9300 . ?
C3 N3 1.338(6) . ?
C3 C4 1.385(6) . ?
C3 C6 1.502(6) . ?
C4 N4 1.327(6) . ?
C4 H4 0.9300 . ?
C5 O1 1.244(6) . ?
C5 N7 1.335(6) . ?
C6 N8 1.318(5) . ?
C7 N1 1.331(6) . ?
C7 C8 1.384(6) . ?
C7 C11 1.489(6) . ?
C8 N2 1.342(7) . ?
C8 H8 0.9300 . ?
C9 N1 1.342(6) . ?
C9 C10 1.385(6) . ?
C9 C12 1.483(7) . ?
C10 N2 1.330(6) . ?
C10 H10 0.9300 . ?
C11 O3 1.253(6) . ?
C11 N5 1.340(6) . ?
C12 O4 1.255(6) . ?
C12 N6 1.328(5) . ?
C27 N6 1.462(6) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
N1 Co1 1.846(3) . ?
N2 Ag3 2.384(4) 2_666 ?
N3 Co1 1.850(3) . ?
N4 Ag1 2.385(4) 2_665 ?
N5 Co1 1.955(4) . ?
N6 Co1 1.958(4) . ?
N7 Co1 1.967(4) . ?
N8 Co1 1.958(4) . ?
Ag1 O2 2.316(4) 1_455 ?
Ag1 O1 2.346(4) . ?
Ag1 N4 2.385(4) 2_665 ?
Ag2 O3 2.247(4) . ?
Ag2 O9 2.446(5) 1_565 ?
Ag2 O5 2.469(7) 1_465 ?
Ag3 O4 2.322(3) . ?
Ag3 N2 2.384(4) 2_666 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N5 C13 C14 114.6(4) . . ?
N5 C13 H13A 108.6 . . ?
C14 C13 H13A 108.6 . . ?
N5 C13 H13B 108.6 . . ?
C14 C13 H13B 108.6 . . ?
H13A C13 H13B 107.6 . . ?
C19 C14 C15 119.4(6) . . ?
C19 C14 C13 121.3(6) . . ?
C15 C14 C13 119.3(5) . . ?
C16 C15 C14 120.9(8) . . ?
C16 C15 H15 119.6 . . ?
C14 C15 H15 119.6 . . ?
C17 C16 C15 120.1(8) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C16 C17 C18 121.9(8) . . ?
C16 C17 H17 119.1 . . ?
C18 C17 H17 119.1 . . ?
C17 C18 C19 119.6(8) . . ?
C17 C18 H18 120.2 . . ?
C19 C18 H18 120.2 . . ?
C14 C19 C18 117.9(9) . . ?
C14 C19 H19 121.0 . . ?
C18 C19 H19 121.0 . . ?
N7 C20 C21 114.6(4) . . ?
N7 C20 H20A 108.6 . . ?
C21 C20 H20A 108.6 . . ?
N7 C20 H20B 108.6 . . ?
C21 C20 H20B 108.6 . . ?
H20A C20 H20B 107.6 . . ?
C26 C21 C22 118.8(5) . . ?
C26 C21 C20 120.8(5) . . ?
C22 C21 C20 120.4(4) . . ?
C23 C22 C21 120.4(5) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C24 C23 C22 120.9(7) . . ?
C24 C23 H23 119.6 . . ?
C22 C23 H23 119.6 . . ?
C23 C24 C25 118.8(6) . . ?
C23 C24 H24 120.6 . . ?
C25 C24 H24 120.6 . . ?
C24 C25 C26 121.0(6) . . ?
C24 C25 H25 119.5 . . ?
C26 C25 H25 119.5 . . ?
C21 C26 C25 120.1(6) . . ?
C21 C26 H26 119.9 . . ?
C25 C26 H26 119.9 . . ?
C29 C28 C33 118.3(6) . . ?
C29 C28 C27 120.6(5) . . ?
C33 C28 C27 121.2(6) . . ?
C28 C29 C30 121.1(7) . . ?
C28 C29 H29 119.5 . . ?
C30 C29 H29 119.5 . . ?
C31 C30 C29 120.4(8) . . ?
C31 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
C30 C31 C32 120.2(8) . . ?
C30 C31 H31 119.9 . . ?
C32 C31 H31 119.9 . . ?
C31 C32 C33 120.3(8) . . ?
C31 C32 H32 119.8 . . ?
C33 C32 H32 119.8 . . ?
C28 C33 C32 119.7(8) . . ?
C28 C33 H33 120.2 . . ?
C32 C33 H33 120.2 . . ?
N8 C34 C35 113.8(4) . . ?
N8 C34 H34A 108.8 . . ?
C35 C34 H34A 108.8 . . ?
N8 C34 H34B 108.8 . . ?
C35 C34 H34B 108.8 . . ?
H34A C34 H34B 107.7 . . ?
C36 C35 C40 119.3(6) . . ?
C36 C35 C34 119.6(5) . . ?
C40 C35 C34 121.0(6) . . ?
C35 C36 C37 120.1(7) . . ?
C35 C36 H36 120.0 . . ?
C37 C36 H36 120.0 . . ?
C38 C37 C36 120.2(9) . . ?
C38 C37 H37 119.9 . . ?
C36 C37 H37 119.9 . . ?
C39 C38 C37 120.6(8) . . ?
C39 C38 H38 119.7 . . ?
C37 C38 H38 119.7 . . ?
C38 C39 C40 120.4(8) . . ?
C38 C39 H39 119.8 . . ?
C40 C39 H39 119.8 . . ?
C35 C40 C39 119.4(8) . . ?
C35 C40 H40 120.3 . . ?
C39 C40 H40 120.3 . . ?
C42 C41 O11 109.2(11) . . ?
C42 C41 H41A 109.8 . . ?
O11 C41 H41A 109.8 . . ?
C42 C41 H41B 109.8 . . ?
O11 C41 H41B 109.8 . . ?
H41A C41 H41B 108.3 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
O9 N9 O10 122.5(6) . . ?
O9 N9 O8 119.0(5) . . ?
O10 N9 O8 118.5(6) . . ?
O6 N10 O7 123.0(8) . . ?
O6 N10 O5 118.0(8) . . ?
O7 N10 O5 119.0(7) . . ?
C6 O2 Ag1 127.1(3) . 1_655 ?
N10 O5 Ag3 107.5(5) . . ?
N10 O5 Ag2 101.5(5) . 1_645 ?
Ag3 O5 Ag2 151.0(3) . 1_645 ?
N9 O8 Ag1 100.2(4) . . ?
N9 O9 Ag2 105.8(4) . 1_545 ?
N3 C1 C2 118.1(4) . . ?
N3 C1 C5 113.3(4) . . ?
C2 C1 C5 128.5(4) . . ?
N4 C2 C1 121.4(4) . . ?
N4 C2 H2 119.3 . . ?
C1 C2 H2 119.3 . . ?
N3 C3 C4 118.1(4) . . ?
N3 C3 C6 111.8(4) . . ?
C4 C3 C6 130.0(4) . . ?
N4 C4 C3 121.6(4) . . ?
N4 C4 H4 119.2 . . ?
C3 C4 H4 119.2 . . ?
O1 C5 N7 129.6(4) . . ?
O1 C5 C1 119.5(4) . . ?
N7 C5 C1 110.9(4) . . ?
O2 C6 N8 128.3(4) . . ?
O2 C6 C3 120.6(4) . . ?
N8 C6 C3 111.2(4) . . ?
N1 C7 C8 118.4(4) . . ?
N1 C7 C11 112.2(4) . . ?
C8 C7 C11 129.3(4) . . ?
N2 C8 C7 121.1(5) . . ?
N2 C8 H8 119.5 . . ?
C7 C8 H8 119.5 . . ?
N1 C9 C10 117.3(4) . . ?
N1 C9 C12 113.0(4) . . ?
C10 C9 C12 129.7(4) . . ?
N2 C10 C9 122.2(4) . . ?
N2 C10 H10 118.9 . . ?
C9 C10 H10 118.9 . . ?
O3 C11 N5 127.7(4) . . ?
O3 C11 C7 121.0(4) . . ?
N5 C11 C7 111.3(4) . . ?
O4 C12 N6 130.0(4) . . ?
O4 C12 C9 118.9(4) . . ?
N6 C12 C9 111.1(4) . . ?
N6 C27 C28 113.1(4) . . ?
N6 C27 H27A 109.0 . . ?
C28 C27 H27A 109.0 . . ?
N6 C27 H27B 109.0 . . ?
C28 C27 H27B 109.0 . . ?
H27A C27 H27B 107.8 . . ?
C7 N1 C9 122.4(4) . . ?
C7 N1 Co1 119.4(3) . . ?
C9 N1 Co1 118.2(3) . . ?
C10 N2 C8 118.6(4) . . ?
C10 N2 Ag3 116.6(3) . 2_666 ?
C8 N2 Ag3 124.8(3) . 2_666 ?
C1 N3 C3 122.2(4) . . ?
C1 N3 Co1 118.5(3) . . ?
C3 N3 Co1 119.2(3) . . ?
C4 N4 C2 118.6(4) . . ?
C4 N4 Ag1 126.1(3) . 2_665 ?
C2 N4 Ag1 115.1(3) . 2_665 ?
C11 N5 C13 117.1(4) . . ?
C11 N5 Co1 115.7(3) . . ?
C13 N5 Co1 126.6(3) . . ?
C12 N6 C27 118.7(4) . . ?
C12 N6 Co1 116.0(3) . . ?
C27 N6 Co1 125.3(3) . . ?
C5 N7 C20 118.4(4) . . ?
C5 N7 Co1 115.6(3) . . ?
C20 N7 Co1 125.8(3) . . ?
C6 N8 C34 117.2(4) . . ?
C6 N8 Co1 116.6(3) . . ?
C34 N8 Co1 126.1(3) . . ?
N1 Co1 N3 179.28(17) . . ?
N1 Co1 N5 81.32(16) . . ?
N3 Co1 N5 98.12(16) . . ?
N1 Co1 N8 98.49(16) . . ?
N3 Co1 N8 81.05(15) . . ?
N5 Co1 N8 92.36(16) . . ?
N1 Co1 N6 81.57(15) . . ?
N3 Co1 N6 98.99(15) . . ?
N5 Co1 N6 162.88(15) . . ?
N8 Co1 N6 90.97(16) . . ?
N1 Co1 N7 98.97(16) . . ?
N3 Co1 N7 81.50(15) . . ?
N5 Co1 N7 90.87(16) . . ?
N8 Co1 N7 162.53(15) . . ?
N6 Co1 N7 90.97(16) . . ?
O2 Ag1 O1 103.53(13) 1_455 . ?
O2 Ag1 N4 132.37(14) 1_455 2_665 ?
O1 Ag1 N4 87.58(13) . 2_665 ?
O2 Ag1 O8 102.85(16) 1_455 . ?
O1 Ag1 O8 130.77(17) . . ?
N4 Ag1 O8 103.84(17) 2_665 . ?
O3 Ag2 O9 119.73(16) . 1_565 ?
O3 Ag2 O5 143.2(2) . 1_465 ?
O9 Ag2 O5 96.8(2) 1_565 1_465 ?
O4 Ag3 O5 130.91(19) . . ?
O4 Ag3 N2 86.68(13) . 2_666 ?
O5 Ag3 N2 130.9(2) . 2_666 ?
C5 O1 Ag1 144.0(3) . . ?
C11 O3 Ag2 131.9(3) . . ?
C12 O4 Ag3 140.4(3) . . ?

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 C13 C14 C19 -44.0(9) . . . . ?
N5 C13 C14 C15 134.6(5) . . . . ?
C19 C14 C15 C16 -0.9(10) . . . . ?
C13 C14 C15 C16 -179.5(6) . . . . ?
C14 C15 C16 C17 4.7(12) . . . . ?
C15 C16 C17 C18 -5.6(16) . . . . ?
C16 C17 C18 C19 2.8(18) . . . . ?
C15 C14 C19 C18 -1.8(13) . . . . ?
C13 C14 C19 C18 176.8(8) . . . . ?
C17 C18 C19 C14 1.0(16) . . . . ?
N7 C20 C21 C26 -130.2(5) . . . . ?
N7 C20 C21 C22 51.5(6) . . . . ?
C26 C21 C22 C23 -0.3(8) . . . . ?
C20 C21 C22 C23 178.0(5) . . . . ?
C21 C22 C23 C24 -0.3(10) . . . . ?
C22 C23 C24 C25 0.8(10) . . . . ?
C23 C24 C25 C26 -0.7(10) . . . . ?
C22 C21 C26 C25 0.4(8) . . . . ?
C20 C21 C26 C25 -177.8(5) . . . . ?
C24 C25 C26 C21 0.1(10) . . . . ?
C33 C28 C29 C30 1.1(10) . . . . ?
C27 C28 C29 C30 -178.4(6) . . . . ?
C28 C29 C30 C31 -0.8(13) . . . . ?
C29 C30 C31 C32 -0.3(15) . . . . ?
C30 C31 C32 C33 0.9(15) . . . . ?
C29 C28 C33 C32 -0.5(10) . . . . ?
C27 C28 C33 C32 179.1(6) . . . . ?
C31 C32 C33 C28 -0.5(13) . . . . ?
N8 C34 C35 C36 51.1(7) . . . . ?
N8 C34 C35 C40 -130.7(5) . . . . ?
C40 C35 C36 C37 -1.0(10) . . . . ?
C34 C35 C36 C37 177.2(6) . . . . ?
C35 C36 C37 C38 1.8(12) . . . . ?
C36 C37 C38 C39 -2.1(14) . . . . ?
C37 C38 C39 C40 1.6(14) . . . . ?
C36 C35 C40 C39 0.5(9) . . . . ?
C34 C35 C40 C39 -177.7(6) . . . . ?
C38 C39 C40 C35 -0.8(12) . . . . ?
O6 N10 O5 Ag3 -175.6(6) . . . . ?
O7 N10 O5 Ag3 4.6(9) . . . . ?
O6 N10 O5 Ag2 3.6(8) . . . 1_645 ?
O7 N10 O5 Ag2 -176.3(6) . . . 1_645 ?
O9 N9 O8 Ag1 170.2(4) . . . . ?
O10 N9 O8 Ag1 -10.1(6) . . . . ?
O10 N9 O9 Ag2 173.0(5) . . . 1_545 ?
O8 N9 O9 Ag2 -7.4(6) . . . 1_545 ?
N3 C1 C2 N4 -0.1(7) . . . . ?
C5 C1 C2 N4 -178.0(5) . . . . ?
N3 C3 C4 N4 -0.9(7) . . . . ?
C6 C3 C4 N4 -179.8(5) . . . . ?
N3 C1 C5 O1 -178.0(5) . . . . ?
C2 C1 C5 O1 0.0(8) . . . . ?
N3 C1 C5 N7 1.7(6) . . . . ?
C2 C1 C5 N7 179.7(5) . . . . ?
Ag1 O2 C6 N8 130.6(4) 1_655 . . . ?
Ag1 O2 C6 C3 -50.0(6) 1_655 . . . ?
N3 C3 C6 O2 176.7(4) . . . . ?
C4 C3 C6 O2 -4.3(8) . . . . ?
N3 C3 C6 N8 -3.8(6) . . . . ?
C4 C3 C6 N8 175.1(5) . . . . ?
N1 C7 C8 N2 -1.3(8) . . . . ?
C11 C7 C8 N2 175.2(5) . . . . ?
N1 C9 C10 N2 -1.6(7) . . . . ?
C12 C9 C10 N2 177.6(5) . . . . ?
N1 C7 C11 O3 178.2(4) . . . . ?
C8 C7 C11 O3 1.5(8) . . . . ?
N1 C7 C11 N5 -1.6(6) . . . . ?
C8 C7 C11 N5 -178.3(5) . . . . ?
N1 C9 C12 O4 -180.0(4) . . . . ?
C10 C9 C12 O4 0.9(8) . . . . ?
N1 C9 C12 N6 -0.3(6) . . . . ?
C10 C9 C12 N6 -179.5(5) . . . . ?
C29 C28 C27 N6 -46.5(7) . . . . ?
C33 C28 C27 N6 133.9(5) . . . . ?
C8 C7 N1 C9 0.1(7) . . . . ?
C11 C7 N1 C9 -177.0(4) . . . . ?
C8 C7 N1 Co1 -179.6(4) . . . . ?
C11 C7 N1 Co1 3.3(5) . . . . ?
C10 C9 N1 C7 1.3(7) . . . . ?
C12 C9 N1 C7 -178.0(4) . . . . ?
C10 C9 N1 Co1 -179.1(4) . . . . ?
C12 C9 N1 Co1 1.7(5) . . . . ?
C9 C10 N2 C8 0.4(8) . . . . ?
C9 C10 N2 Ag3 -176.9(4) . . . 2_666 ?
C7 C8 N2 C10 1.0(8) . . . . ?
C7 C8 N2 Ag3 178.2(4) . . . 2_666 ?
C2 C1 N3 C3 -0.1(7) . . . . ?
C5 C1 N3 C3 178.1(4) . . . . ?
C2 C1 N3 Co1 178.2(4) . . . . ?
C5 C1 N3 Co1 -3.6(5) . . . . ?
C4 C3 N3 C1 0.6(7) . . . . ?
C6 C3 N3 C1 179.7(4) . . . . ?
C4 C3 N3 Co1 -177.7(3) . . . . ?
C6 C3 N3 Co1 1.4(5) . . . . ?
C3 C4 N4 C2 0.7(7) . . . . ?
C3 C4 N4 Ag1 -173.4(3) . . . 2_665 ?
C1 C2 N4 C4 -0.2(8) . . . . ?
C1 C2 N4 Ag1 174.5(4) . . . 2_665 ?
O3 C11 N5 C13 -8.7(7) . . . . ?
C7 C11 N5 C13 171.0(4) . . . . ?
O3 C11 N5 Co1 179.6(4) . . . . ?
C7 C11 N5 Co1 -0.6(5) . . . . ?
C14 C13 N5 C11 116.4(5) . . . . ?
C14 C13 N5 Co1 -73.0(6) . . . . ?
O4 C12 N6 C27 -2.6(8) . . . . ?
C9 C12 N6 C27 177.8(4) . . . . ?
O4 C12 N6 Co1 178.5(4) . . . . ?
C9 C12 N6 Co1 -1.0(5) . . . . ?
C28 C27 N6 C12 99.3(5) . . . . ?
C28 C27 N6 Co1 -82.0(5) . . . . ?
O1 C5 N7 C20 5.7(8) . . . . ?
C1 C5 N7 C20 -173.9(4) . . . . ?
O1 C5 N7 Co1 -179.6(5) . . . . ?
C1 C5 N7 Co1 0.8(5) . . . . ?
C21 C20 N7 C5 -108.9(5) . . . . ?
C21 C20 N7 Co1 77.0(5) . . . . ?
O2 C6 N8 C34 5.5(8) . . . . ?
C3 C6 N8 C34 -173.9(4) . . . . ?
O2 C6 N8 Co1 -176.1(4) . . . . ?
C3 C6 N8 Co1 4.6(5) . . . . ?
C35 C34 N8 C6 -100.3(5) . . . . ?
C35 C34 N8 Co1 81.5(5) . . . . ?
C7 N1 Co1 N3 37(13) . . . . ?
C9 N1 Co1 N3 -142(13) . . . . ?
C7 N1 Co1 N5 -2.9(3) . . . . ?
C9 N1 Co1 N5 177.4(4) . . . . ?
C7 N1 Co1 N8 88.2(4) . . . . ?
C9 N1 Co1 N8 -91.5(3) . . . . ?
C7 N1 Co1 N6 177.9(4) . . . . ?
C9 N1 Co1 N6 -1.8(3) . . . . ?
C7 N1 Co1 N7 -92.5(4) . . . . ?
C9 N1 Co1 N7 87.9(4) . . . . ?
C1 N3 Co1 N1 -127(13) . . . . ?
C3 N3 Co1 N1 52(13) . . . . ?
C1 N3 Co1 N5 -86.5(4) . . . . ?
C3 N3 Co1 N5 91.9(4) . . . . ?
C1 N3 Co1 N8 -177.6(4) . . . . ?
C3 N3 Co1 N8 0.8(3) . . . . ?
C1 N3 Co1 N6 92.8(3) . . . . ?
C3 N3 Co1 N6 -88.8(4) . . . . ?
C1 N3 Co1 N7 3.2(3) . . . . ?
C3 N3 Co1 N7 -178.5(4) . . . . ?
C11 N5 Co1 N1 1.9(3) . . . . ?
C13 N5 Co1 N1 -168.9(4) . . . . ?
C11 N5 Co1 N3 -177.7(3) . . . . ?
C13 N5 Co1 N3 11.6(4) . . . . ?
C11 N5 Co1 N8 -96.4(3) . . . . ?
C13 N5 Co1 N8 92.9(4) . . . . ?
C11 N5 Co1 N6 4.6(8) . . . . ?
C13 N5 Co1 N6 -166.1(5) . . . . ?
C11 N5 Co1 N7 100.8(3) . . . . ?
C13 N5 Co1 N7 -69.9(4) . . . . ?
C6 N8 Co1 N1 177.4(3) . . . . ?
C34 N8 Co1 N1 -4.3(4) . . . . ?
C6 N8 Co1 N3 -3.2(3) . . . . ?
C34 N8 Co1 N3 175.1(4) . . . . ?
C6 N8 Co1 N5 -101.0(4) . . . . ?
C34 N8 Co1 N5 77.3(4) . . . . ?
C6 N8 Co1 N6 95.8(4) . . . . ?
C34 N8 Co1 N6 -85.9(4) . . . . ?
C6 N8 Co1 N7 -0.6(8) . . . . ?
C34 N8 Co1 N7 177.7(5) . . . . ?
C12 N6 Co1 N1 1.5(3) . . . . ?
C27 N6 Co1 N1 -177.2(4) . . . . ?
C12 N6 Co1 N3 -178.9(3) . . . . ?
C27 N6 Co1 N3 2.3(4) . . . . ?
C12 N6 Co1 N5 -1.2(7) . . . . ?
C27 N6 Co1 N5 180.0(5) . . . . ?
C12 N6 Co1 N8 100.0(3) . . . . ?
C27 N6 Co1 N8 -78.8(4) . . . . ?
C12 N6 Co1 N7 -97.4(3) . . . . ?
C27 N6 Co1 N7 83.9(4) . . . . ?
C5 N7 Co1 N1 177.4(3) . . . . ?
C20 N7 Co1 N1 -8.4(4) . . . . ?
C5 N7 Co1 N3 -2.1(4) . . . . ?
C20 N7 Co1 N3 172.1(4) . . . . ?
C5 N7 Co1 N5 96.0(4) . . . . ?
C20 N7 Co1 N5 -89.8(4) . . . . ?
C5 N7 Co1 N8 -4.7(8) . . . . ?
C20 N7 Co1 N8 169.5(5) . . . . ?
C5 N7 Co1 N6 -101.0(4) . . . . ?
C20 N7 Co1 N6 73.2(4) . . . . ?
N9 O8 Ag1 O2 84.7(4) . . . 1_455 ?
N9 O8 Ag1 O1 -154.4(3) . . . . ?
N9 O8 Ag1 N4 -55.4(4) . . . 2_665 ?
N10 O5 Ag3 O4 128.2(5) . . . . ?
Ag2 O5 Ag3 O4 -50.1(7) 1_645 . . . ?
N10 O5 Ag3 N2 -2.3(7) . . . 2_666 ?
Ag2 O5 Ag3 N2 179.4(5) 1_645 . . 2_666 ?
N7 C5 O1 Ag1 -29.2(10) . . . . ?
C1 C5 O1 Ag1 150.4(4) . . . . ?
O2 Ag1 O1 C5 77.3(6) 1_455 . . . ?
N4 Ag1 O1 C5 -149.6(6) 2_665 . . . ?
O8 Ag1 O1 C5 -43.4(7) . . . . ?
N5 C11 O3 Ag2 120.8(5) . . . . ?
C7 C11 O3 Ag2 -58.9(6) . . . . ?
O9 Ag2 O3 C11 -109.9(5) 1_565 . . . ?
O5 Ag2 O3 C11 76.9(6) 1_465 . . . ?
N6 C12 O4 Ag3 40.8(8) . . . . ?
C9 C12 O4 Ag3 -139.6(4) . . . . ?
O5 Ag3 O4 C12 -3.2(6) . . . . ?
N2 Ag3 O4 C12 141.7(5) 2_666 . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.89
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         2.775
_refine_diff_density_min         -2.602
_refine_diff_density_rms         0.123
####################################################################### 
# 
# 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_reddy_py1
_database_code_depnum_ccdc_archive 'CCDC 1421277'
_audit_update_record             
;
2016-05-28 deposited with the CCDC.
2016-06-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C14 H17 Co0.25 N2.25 O'
_chemical_formula_weight         247.53

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Tetragonal
_symmetry_space_group_name_H-M   'I-4   '

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

_cell_length_a                   11.527(4)
_cell_length_b                   11.527(4)
_cell_length_c                   19.263(14)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2559.5(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3316
_cell_measurement_theta_min      2.50
_cell_measurement_theta_max      21.08

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            Brown
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.072
_exptl_crystal_size_min          0.041
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.285
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1052
_exptl_absorpt_coefficient_mu    0.391
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.6915
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   SADABS-2008/1

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            16546
_diffrn_reflns_av_R_equivalents  0.0541
_diffrn_reflns_av_sigmaI/netI    0.0473
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.06
_diffrn_reflns_theta_max         27.11
_reflns_number_total             2840
_reflns_number_gt                2394
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT A'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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 > 2σ(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)+(0.1103P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(2)
_refine_ls_number_reflns         2840
_refine_ls_number_parameters     160
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0683
_refine_ls_R_factor_gt           0.0524
_refine_ls_wR_factor_ref         0.1604
_refine_ls_wR_factor_gt          0.1433
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.039
_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
C1 C 0.4480(4) 0.0861(4) 0.4508(2) 0.0673(12) Uani 1 1 d . . .
H1 H 0.4114 0.1461 0.4746 0.081 Uiso 1 1 calc R . .
C2 C 0.4484(3) 0.0864(3) 0.3796(2) 0.0511(9) Uani 1 1 d . . .
C3 C 0.3990(3) 0.1771(3) 0.3309(2) 0.0492(8) Uani 1 1 d . . .
C4 C 0.3857(3) 0.2291(3) 0.2119(2) 0.0526(9) Uani 1 1 d . . .
H4A H 0.4508 0.2381 0.1805 0.063 Uiso 1 1 calc R . .
H4B H 0.3714 0.3038 0.2335 0.063 Uiso 1 1 calc R . .
C5 C 0.2788(4) 0.1946(3) 0.1700(2) 0.0582(10) Uani 1 1 d . . .
C6 C 0.1779(4) 0.1615(3) 0.2027(3) 0.0673(11) Uani 1 1 d . . .
H6 H 0.1760 0.1558 0.2509 0.081 Uiso 1 1 calc R . .
C7 C 0.0795(5) 0.1365(5) 0.1647(5) 0.107(2) Uani 1 1 d U . .
H7 H 0.0124 0.1139 0.1878 0.129 Uiso 1 1 calc R . .
C8 C 0.0782(9) 0.1439(6) 0.0951(7) 0.144(4) Uani 1 1 d U . .
H8 H 0.0103 0.1298 0.0704 0.173 Uiso 1 1 calc R . .
C9 C 0.1818(9) 0.1736(6) 0.0600(4) 0.117(3) Uani 1 1 d . . .
H9 H 0.1836 0.1744 0.0117 0.140 Uiso 1 1 calc R . .
C10 C 0.2818(5) 0.2020(4) 0.0979(3) 0.0796(14) Uani 1 1 d . . .
H10 H 0.3490 0.2253 0.0753 0.096 Uiso 1 1 calc R . .
C11 C 0.0309(5) 0.6049(5) 0.2939(3) 0.0861(15) Uani 1 1 d . . .
H11A H 0.1030 0.5880 0.3178 0.103 Uiso 1 1 calc R . .
H11B H 0.0460 0.6692 0.2627 0.103 Uiso 1 1 calc R . .
C12 C -0.0541(6) 0.6452(5) 0.3466(3) 0.0932(17) Uani 1 1 d . . .
H12A H -0.1284 0.6570 0.3240 0.112 Uiso 1 1 calc R . .
H12B H -0.0642 0.5844 0.3809 0.112 Uiso 1 1 calc R . .
C13 C -0.0216(7) 0.7521(9) 0.3824(5) 0.150(4) Uani 1 1 d D . .
H13A H 0.0491 0.7332 0.4073 0.180 Uiso 1 1 calc R . .
H13B H 0.0012 0.8052 0.3458 0.180 Uiso 1 1 calc R . .
C14 C -0.0840(11) 0.8165(10) 0.4269(6) 0.184(5) Uani 1 1 d D . .
H14A H -0.1629 0.8207 0.4111 0.276 Uiso 1 1 calc R . .
H14B H -0.0520 0.8933 0.4293 0.276 Uiso 1 1 calc R . .
H14C H -0.0818 0.7816 0.4722 0.276 Uiso 1 1 calc R . .
N1 N 0.5000 0.0000 0.34582(17) 0.0420(7) Uani 1 2 d S . .
N2 N 0.5000 0.0000 0.4871(2) 0.0836(15) Uani 1 2 d S . .
N3 N 0.4170(2) 0.1460(2) 0.26553(14) 0.0435(7) Uani 1 1 d . . .
N4 N 0.0000 0.5000 0.2500 0.0562(13) Uani 1 4 d S . .
O1 O 0.3519(3) 0.2650(3) 0.35400(18) 0.0710(9) Uani 1 1 d . . .
Co1 Co 0.5000 0.0000 0.2500 0.0370(2) Uani 1 4 d S . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
C1 N2 1.354(5) . ?
C1 C2 1.373(6) . ?
C1 H1 0.9300 . ?
C2 N1 1.330(4) . ?
C2 C3 1.515(6) . ?
C3 O1 1.233(4) . ?
C3 N3 1.326(4) . ?
C4 N3 1.454(4) . ?
C4 C5 1.526(5) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.377(7) . ?
C5 C10 1.390(7) . ?
C6 C7 1.381(7) . ?
C6 H6 0.9300 . ?
C7 C8 1.343(13) . ?
C7 H7 0.9300 . ?
C8 C9 1.415(14) . ?
C8 H8 0.9300 . ?
C9 C10 1.404(9) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.485(8) . ?
C11 N4 1.518(5) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.461(9) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.343(10) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
N1 C2 1.330(4) 2_655 ?
N1 Co1 1.846(3) . ?
N2 C1 1.354(5) 2_655 ?
N3 Co1 1.959(3) . ?
N4 C11 1.518(5) 8 ?
N4 C11 1.518(5) 7_455 ?
N4 C11 1.518(5) 2_565 ?
Co1 N1 1.846(3) 7 ?
Co1 N3 1.959(3) 8_545 ?
Co1 N3 1.959(3) 7 ?
Co1 N3 1.959(3) 2_655 ?

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 C1 C2 121.1(4) . . ?
N2 C1 H1 119.5 . . ?
C2 C1 H1 119.5 . . ?
N1 C2 C1 119.3(4) . . ?
N1 C2 C3 112.5(3) . . ?
C1 C2 C3 128.2(4) . . ?
O1 C3 N3 129.3(4) . . ?
O1 C3 C2 120.6(4) . . ?
N3 C3 C2 110.0(3) . . ?
N3 C4 C5 113.9(3) . . ?
N3 C4 H4A 108.8 . . ?
C5 C4 H4A 108.8 . . ?
N3 C4 H4B 108.8 . . ?
C5 C4 H4B 108.8 . . ?
H4A C4 H4B 107.7 . . ?
C6 C5 C10 119.7(4) . . ?
C6 C5 C4 120.7(4) . . ?
C10 C5 C4 119.5(4) . . ?
C5 C6 C7 120.5(6) . . ?
C5 C6 H6 119.7 . . ?
C7 C6 H6 119.7 . . ?
C8 C7 C6 121.7(7) . . ?
C8 C7 H7 119.1 . . ?
C6 C7 H7 119.1 . . ?
C7 C8 C9 118.9(6) . . ?
C7 C8 H8 120.6 . . ?
C9 C8 H8 120.6 . . ?
C10 C9 C8 120.0(7) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C5 C10 C9 119.1(7) . . ?
C5 C10 H10 120.5 . . ?
C9 C10 H10 120.5 . . ?
C12 C11 N4 118.4(4) . . ?
C12 C11 H11A 107.7 . . ?
N4 C11 H11A 107.7 . . ?
C12 C11 H11B 107.7 . . ?
N4 C11 H11B 107.7 . . ?
H11A C11 H11B 107.1 . . ?
C13 C12 C11 114.6(6) . . ?
C13 C12 H12A 108.6 . . ?
C11 C12 H12A 108.6 . . ?
C13 C12 H12B 108.6 . . ?
C11 C12 H12B 108.6 . . ?
H12A C12 H12B 107.6 . . ?
C14 C13 C12 129.0(10) . . ?
C14 C13 H13A 105.0 . . ?
C12 C13 H13A 105.0 . . ?
C14 C13 H13B 105.0 . . ?
C12 C13 H13B 105.0 . . ?
H13A C13 H13B 105.9 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C2 N1 C2 121.5(4) . 2_655 ?
C2 N1 Co1 119.3(2) . . ?
C2 N1 Co1 119.3(2) 2_655 . ?
C1 N2 C1 117.9(5) 2_655 . ?
C3 N3 C4 117.3(3) . . ?
C3 N3 Co1 117.0(2) . . ?
C4 N3 Co1 125.4(2) . . ?
C11 N4 C11 108.1(2) 8 . ?
C11 N4 C11 112.2(5) 8 7_455 ?
C11 N4 C11 108.1(2) . 7_455 ?
C11 N4 C11 108.1(2) 8 2_565 ?
C11 N4 C11 112.2(5) . 2_565 ?
C11 N4 C11 108.1(2) 7_455 2_565 ?
N1 Co1 N1 180.0 7 . ?
N1 Co1 N3 81.21(8) 7 8_545 ?
N1 Co1 N3 98.79(8) . 8_545 ?
N1 Co1 N3 81.21(8) 7 7 ?
N1 Co1 N3 98.79(8) . 7 ?
N3 Co1 N3 162.43(16) 8_545 7 ?
N1 Co1 N3 98.79(8) 7 . ?
N1 Co1 N3 81.21(8) . . ?
N3 Co1 N3 91.34(2) 8_545 . ?
N3 Co1 N3 91.34(2) 7 . ?
N1 Co1 N3 98.79(8) 7 2_655 ?
N1 Co1 N3 81.21(8) . 2_655 ?
N3 Co1 N3 91.34(2) 8_545 2_655 ?
N3 Co1 N3 91.34(2) 7 2_655 ?
N3 Co1 N3 162.43(16) . 2_655 ?

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 C1 C2 N1 0.6(6) . . . . ?
N2 C1 C2 C3 -177.5(3) . . . . ?
N1 C2 C3 O1 -177.5(3) . . . . ?
C1 C2 C3 O1 0.7(6) . . . . ?
N1 C2 C3 N3 1.6(4) . . . . ?
C1 C2 C3 N3 179.8(4) . . . . ?
N3 C4 C5 C6 50.0(5) . . . . ?
N3 C4 C5 C10 -133.1(4) . . . . ?
C10 C5 C6 C7 -0.5(6) . . . . ?
C4 C5 C6 C7 176.4(4) . . . . ?
C5 C6 C7 C8 -0.3(8) . . . . ?
C6 C7 C8 C9 2.6(10) . . . . ?
C7 C8 C9 C10 -4.0(10) . . . . ?
C6 C5 C10 C9 -1.0(7) . . . . ?
C4 C5 C10 C9 -177.9(4) . . . . ?
C8 C9 C10 C5 3.2(8) . . . . ?
N4 C11 C12 C13 -175.1(6) . . . . ?
C11 C12 C13 C14 172.4(11) . . . . ?
C1 C2 N1 C2 -0.3(3) . . . 2_655 ?
C3 C2 N1 C2 178.1(3) . . . 2_655 ?
C1 C2 N1 Co1 179.7(3) . . . . ?
C3 C2 N1 Co1 -1.9(3) . . . . ?
C2 C1 N2 C1 -0.3(3) . . . 2_655 ?
O1 C3 N3 C4 5.2(6) . . . . ?
C2 C3 N3 C4 -173.8(3) . . . . ?
O1 C3 N3 Co1 178.3(3) . . . . ?
C2 C3 N3 Co1 -0.7(4) . . . . ?
C5 C4 N3 C3 -108.8(4) . . . . ?
C5 C4 N3 Co1 78.8(4) . . . . ?
C12 C11 N4 C11 64.1(3) . . . 8 ?
C12 C11 N4 C11 -174.2(6) . . . 7_455 ?
C12 C11 N4 C11 -55.0(4) . . . 2_565 ?
C2 N1 Co1 N1 0(100) . . . 7 ?
C2 N1 Co1 N1 0(7) 2_655 . . 7 ?
C2 N1 Co1 N3 -88.77(19) . . . 8_545 ?
C2 N1 Co1 N3 91.23(19) 2_655 . . 8_545 ?
C2 N1 Co1 N3 91.23(19) . . . 7 ?
C2 N1 Co1 N3 -88.77(19) 2_655 . . 7 ?
C2 N1 Co1 N3 1.23(19) . . . . ?
C2 N1 Co1 N3 -178.77(19) 2_655 . . . ?
C2 N1 Co1 N3 -178.77(19) . . . 2_655 ?
C2 N1 Co1 N3 1.23(19) 2_655 . . 2_655 ?
C3 N3 Co1 N1 179.8(2) . . . 7 ?
C4 N3 Co1 N1 -7.7(3) . . . 7 ?
C3 N3 Co1 N1 -0.2(2) . . . . ?
C4 N3 Co1 N1 172.3(3) . . . . ?
C3 N3 Co1 N3 98.5(2) . . . 8_545 ?
C4 N3 Co1 N3 -89.0(3) . . . 8_545 ?
C3 N3 Co1 N3 -98.8(2) . . . 7 ?
C4 N3 Co1 N3 73.6(3) . . . 7 ?
C3 N3 Co1 N3 -0.2(2) . . . 2_655 ?
C4 N3 Co1 N3 172.3(3) . . . 2_655 ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.11
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.839
_refine_diff_density_min         -0.458
_refine_diff_density_rms         0.135
####################################################################### 
# 
# 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_csp_col2_2ag
_database_code_depnum_ccdc_archive 'CCDC 1421278'
_audit_update_record             
;
2016-05-28 deposited with the CCDC.
2016-06-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H45 Ag Co N9 O9'
_chemical_formula_weight         986.67

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'
Co Co 0.3494 0.9721 '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   '

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

_cell_length_a                   11.595(5)
_cell_length_b                   13.528(5)
_cell_length_c                   13.555(5)
_cell_angle_alpha                88.726(5)
_cell_angle_beta                 83.438(5)
_cell_angle_gamma                77.730(5)
_cell_volume                     2064.0(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    6192
_cell_measurement_theta_min      2.16
_cell_measurement_theta_max      24.49

_exptl_crystal_description       Block
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.588
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1012
_exptl_absorpt_coefficient_mu    0.945
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_correction_T_min  0.5385
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_process_details   SADABS-2008/1

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            20010
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_sigmaI/netI    0.0559
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.51
_diffrn_reflns_theta_max         25.71
_reflns_number_total             7689
_reflns_number_gt                5733
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT  A'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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 > 2σ(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.

To modele the water molecules, hydrogen atoms for following water molecules 
were fixed with DFIX command after getting them form fourier map.
DFIX     0.850   0.020 O8 H2O8
DFIX     0.850   0.020 O8 H1O8
DFIX     0.780 0.020 H2O6 O6
DFIX     0.780  0.020 O9 H2O9
DFIX     0.850   0.020 O5 H2O5
DFIX     0.850   0.020 O6 H1O6
DFIX     0.850   0.020 H1O5 O5
DFIX     1.000   0.020 H2O8 H1O8
DFIX     0.850   0.020 H2O7 O7
DFIX     0.850   0.020 O7 H1O7

;

_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)+(0.1321P)²+4.3479P] 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         7689
_refine_ls_number_parameters     608
_refine_ls_number_restraints     10
_refine_ls_R_factor_all          0.1047
_refine_ls_R_factor_gt           0.0808
_refine_ls_wR_factor_ref         0.2440
_refine_ls_wR_factor_gt          0.2241
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_restrained_S_all      1.091
_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
C1 C 0.1606(5) 0.3183(5) 0.1822(5) 0.0443(14) Uani 1 1 d . . .
H1 H 0.1222 0.3228 0.1252 0.053 Uiso 1 1 calc R . .
C2 C 0.2834(5) 0.2854(4) 0.1739(4) 0.0335(11) Uani 1 1 d . . .
C3 C 0.2769(5) 0.3001(4) 0.3454(4) 0.0334(11) Uani 1 1 d . . .
C4 C 0.1539(5) 0.3339(5) 0.3492(5) 0.0448(14) Uani 1 1 d . . .
H4 H 0.1102 0.3506 0.4107 0.054 Uiso 1 1 calc R . .
C5 C 0.7192(5) 0.1148(4) 0.2348(4) 0.0362(12) Uani 1 1 d . . .
C6 C 0.8420(5) 0.0917(5) 0.2223(5) 0.0471(15) Uani 1 1 d . . .
H6 H 0.8815 0.0243 0.2225 0.057 Uiso 1 1 calc R . .
C7 C 0.7237(5) 0.2863(4) 0.2218(4) 0.0331(11) Uani 1 1 d . . .
C8 C 0.8466(5) 0.2589(5) 0.2088(5) 0.0462(14) Uani 1 1 d . . .
H8 H 0.8898 0.3096 0.1989 0.055 Uiso 1 1 calc R . .
C9 C 0.3697(5) 0.2661(4) 0.0817(4) 0.0330(11) Uani 1 1 d . . .
C10 C 0.3559(5) 0.2848(4) 0.4268(4) 0.0335(11) Uani 1 1 d . . .
C11 C 0.6327(5) 0.0461(4) 0.2446(4) 0.0341(12) Uani 1 1 d . . .
C12 C 0.6433(5) 0.3891(4) 0.2273(4) 0.0330(11) Uani 1 1 d . . .
C13 C 0.4422(5) 0.4762(4) 0.2679(4) 0.0370(12) Uani 1 1 d . . .
H13A H 0.4837 0.5306 0.2739 0.044 Uiso 1 1 calc R . .
H13B H 0.4010 0.4667 0.3327 0.044 Uiso 1 1 calc R . .
C14 C 0.4292(5) 0.0402(4) 0.2390(4) 0.0382(12) Uani 1 1 d . . .
H14A H 0.4671 -0.0305 0.2279 0.046 Uiso 1 1 calc R . .
H14B H 0.3911 0.0642 0.1803 0.046 Uiso 1 1 calc R . .
C15 C 0.5556(5) 0.2160(4) 0.4603(4) 0.0377(12) Uani 1 1 d . . .
H15A H 0.5955 0.1475 0.4414 0.045 Uiso 1 1 calc R . .
H15B H 0.5129 0.2133 0.5258 0.045 Uiso 1 1 calc R . .
C16 C 0.5733(5) 0.2521(4) 0.0218(4) 0.0371(12) Uani 1 1 d . . .
H16A H 0.6154 0.3038 0.0367 0.045 Uiso 1 1 calc R . .
H16B H 0.5353 0.2729 -0.0376 0.045 Uiso 1 1 calc R . .
C17 C 0.3516(5) 0.5081(4) 0.1959(4) 0.0358(12) Uani 1 1 d . . .
C18 C 0.2361(5) 0.5562(4) 0.2316(5) 0.0435(13) Uani 1 1 d . . .
H18 H 0.2158 0.5675 0.2994 0.052 Uiso 1 1 calc R . .
C19 C 0.1509(6) 0.5873(5) 0.1662(6) 0.0535(16) Uani 1 1 d . . .
H19 H 0.0746 0.6206 0.1904 0.064 Uiso 1 1 calc R . .
C20 C 0.1793(6) 0.5693(5) 0.0674(6) 0.0547(17) Uani 1 1 d . . .
H20 H 0.1219 0.5892 0.0242 0.066 Uiso 1 1 calc R . .
C21 C 0.2928(6) 0.5215(5) 0.0308(5) 0.0494(15) Uani 1 1 d . . .
H21 H 0.3116 0.5081 -0.0368 0.059 Uiso 1 1 calc R . .
C22 C 0.3796(5) 0.4930(4) 0.0956(4) 0.0387(13) Uani 1 1 d . . .
H22 H 0.4571 0.4636 0.0703 0.046 Uiso 1 1 calc R . .
C23 C 0.3348(5) 0.0469(4) 0.3260(4) 0.0393(13) Uani 1 1 d . . .
C24 C 0.2176(6) 0.0514(5) 0.3095(5) 0.0514(16) Uani 1 1 d . . .
C25 C 0.1290(8) 0.0571(7) 0.3882(7) 0.068(2) Uani 1 1 d . . .
C26 C 0.1549(7) 0.0604(5) 0.4832(6) 0.065(2) Uani 1 1 d . . .
H26 H 0.0951 0.0648 0.5358 0.078 Uiso 1 1 calc R . .
C27 C 0.2712(8) 0.0573(5) 0.5012(5) 0.0604(19) Uani 1 1 d . . .
H27 H 0.2890 0.0604 0.5661 0.072 Uiso 1 1 calc R . .
C28 C 0.3595(6) 0.0495(5) 0.4240(5) 0.0468(15) Uani 1 1 d . . .
H28 H 0.4373 0.0458 0.4372 0.056 Uiso 1 1 calc R . .
C29 C 0.6485(5) 0.2786(4) 0.4661(4) 0.0365(12) Uani 1 1 d . . .
C30 C 0.6207(6) 0.3828(5) 0.4651(4) 0.0444(14) Uani 1 1 d . . .
H30 H 0.5428 0.4165 0.4607 0.053 Uiso 1 1 calc R . .
C31 C 0.7069(6) 0.4374(5) 0.4707(5) 0.0503(15) Uani 1 1 d . . .
H31 H 0.6870 0.5077 0.4694 0.060 Uiso 1 1 calc R . .
C32 C 0.8234(6) 0.3885(6) 0.4780(5) 0.0565(17) Uani 1 1 d . . .
H32 H 0.8814 0.4260 0.4815 0.068 Uiso 1 1 calc R . .
C33 C 0.8530(6) 0.2857(6) 0.4803(5) 0.0573(17) Uani 1 1 d . . .
H33 H 0.9309 0.2529 0.4862 0.069 Uiso 1 1 calc R . .
C34 C 0.7661(6) 0.2296(5) 0.4736(5) 0.0472(14) Uani 1 1 d . . .
H34 H 0.7866 0.1593 0.4742 0.057 Uiso 1 1 calc R . .
C35 C 0.6634(5) 0.1534(4) 0.0000(4) 0.0366(12) Uani 1 1 d . . .
C36 C 0.6325(5) 0.0613(5) 0.0122(4) 0.0413(13) Uani 1 1 d . . .
H36 H 0.5545 0.0579 0.0343 0.050 Uiso 1 1 calc R . .
C37 C 0.7179(6) -0.0277(5) -0.0084(5) 0.0509(16) Uani 1 1 d . . .
H37 H 0.6968 -0.0901 0.0012 0.061 Uiso 1 1 calc R . .
C38 C 0.8332(7) -0.0232(6) -0.0429(5) 0.063(2) Uani 1 1 d . . .
H38 H 0.8902 -0.0823 -0.0567 0.076 Uiso 1 1 calc R . .
C39 C 0.8627(6) 0.0693(6) -0.0566(5) 0.0611(18) Uani 1 1 d . . .
H39 H 0.9402 0.0728 -0.0801 0.073 Uiso 1 1 calc R . .
C40 C 0.7786(6) 0.1579(5) -0.0357(5) 0.0479(15) Uani 1 1 d . . .
H40 H 0.7997 0.2202 -0.0458 0.058 Uiso 1 1 calc R . .
C41 C 0.3808(6) 0.2791(6) 0.7506(6) 0.0576(17) Uani 1 1 d . . .
H41A H 0.3542 0.3363 0.7943 0.086 Uiso 1 1 calc R . .
H41B H 0.3486 0.2232 0.7777 0.086 Uiso 1 1 calc R . .
H41C H 0.3544 0.2962 0.6866 0.086 Uiso 1 1 calc R . .
C42 C 0.5076(7) 0.2516(5) 0.7407(5) 0.0482(15) Uani 1 1 d . . .
N1 N 0.0969(4) 0.3433(4) 0.2688(4) 0.0504(13) Uani 1 1 d . . .
N2 N 0.3361(4) 0.2788(3) 0.2560(3) 0.0278(9) Uani 1 1 d . . .
N3 N 0.6637(4) 0.2124(3) 0.2332(3) 0.0284(9) Uani 1 1 d . . .
N4 N 0.9052(5) 0.1632(4) 0.2100(5) 0.0529(14) Uani 1 1 d . . .
N5 N 0.4697(4) 0.2540(3) 0.3903(3) 0.0317(9) Uani 1 1 d . . .
N6 N 0.5293(4) 0.3839(3) 0.2403(3) 0.0311(9) Uani 1 1 d . . .
N7 N 0.4813(4) 0.2477(3) 0.1036(3) 0.0305(9) Uani 1 1 d . . .
N8 N 0.5217(4) 0.0971(3) 0.2494(3) 0.0327(10) Uani 1 1 d . . .
N9 N 0.6083(6) 0.2325(5) 0.7334(5) 0.0688(17) Uani 1 1 d . . .
O1 O 0.3340(4) 0.2724(3) -0.0020(3) 0.0437(10) Uani 1 1 d . . .
O2 O 0.3137(4) 0.2983(3) 0.5154(3) 0.0460(10) Uani 1 1 d . . .
O3 O 0.6857(4) 0.4669(3) 0.2233(3) 0.0427(9) Uani 1 1 d . . .
O4 O 0.6699(4) -0.0479(3) 0.2459(3) 0.0476(10) Uani 1 1 d . . .
O5 O 0.0842(5) 0.3447(6) 0.6064(4) 0.0738(16) Uani 1 1 d D . .
O6 O 0.1173(5) 0.3385(5) 0.9285(5) 0.0711(15) Uani 1 1 d D . .
O7 O 0.1063(5) 0.4798(4) 0.7601(5) 0.0646(14) Uani 1 1 d D . .
O8 O 0.9806(5) 0.1901(5) 0.6863(5) 0.0767(16) Uani 1 1 d D . .
O9 O 0.1110(6) 0.1596(5) 0.8314(5) 0.0715(15) Uani 1 1 d D . .
Co Co 0.50015(6) 0.24501(5) 0.24572(5) 0.0266(2) Uani 1 1 d . . .
Ag1 Ag 0.79328(7) 0.20685(9) 0.71239(10) 0.1313(5) Uani 1 1 d . . .
H24 H 0.205(6) 0.041(5) 0.244(5) 0.053(19) Uiso 1 1 d . . .
H25 H 0.058(8) 0.065(6) 0.387(6) 0.07(3) Uiso 1 1 d . . .
H1O8 H 1.009(10) 0.167(8) 0.739(5) 0.10(4) Uiso 1 1 d D . .
H2O8 H 1.01(3) 0.234(13) 0.709(16) 0.5(2) Uiso 1 1 d D . .
H1O5 H 0.126(6) 0.302(5) 0.641(5) 0.07(3) Uiso 1 1 d D . .
H2O5 H 0.088(6) 0.396(3) 0.638(4) 0.038(18) Uiso 1 1 d D . .
H1O6 H 0.186(3) 0.327(6) 0.946(5) 0.06(2) Uiso 1 1 d D . .
H2O6 H 0.096(12) 0.297(8) 0.962(9) 0.14(6) Uiso 1 1 d D . .
H1O7 H 0.046(5) 0.528(5) 0.760(7) 0.09(3) Uiso 1 1 d D . .
H2O7 H 0.171(5) 0.494(7) 0.775(7) 0.08(3) Uiso 1 1 d D . .
H1O9 H 0.182(8) 0.140(6) 0.806(6) 0.06(2) Uiso 1 1 d . . .
H2O9 H 0.110(7) 0.209(4) 0.861(5) 0.06(3) Uiso 1 1 d D . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
C1 N1 1.324(8) . ?
C1 C2 1.391(8) . ?
C1 H1 0.9300 . ?
C2 N2 1.322(7) . ?
C2 C9 1.499(8) . ?
C3 N2 1.328(7) . ?
C3 C4 1.398(8) . ?
C3 C10 1.497(8) . ?
C4 N1 1.329(8) . ?
C4 H4 0.9300 . ?
C5 N3 1.341(7) . ?
C5 C6 1.383(8) . ?
C5 C11 1.499(8) . ?
C6 N4 1.330(8) . ?
C6 H6 0.9300 . ?
C7 N3 1.330(7) . ?
C7 C8 1.386(8) . ?
C7 C12 1.499(8) . ?
C8 N4 1.329(8) . ?
C8 H8 0.9300 . ?
C9 O1 1.247(7) . ?
C9 N7 1.332(7) . ?
C10 O2 1.246(6) . ?
C10 N5 1.336(7) . ?
C11 O4 1.253(7) . ?
C11 N8 1.320(7) . ?
C12 O3 1.251(6) . ?
C12 N6 1.330(7) . ?
C13 N6 1.456(7) . ?
C13 C17 1.505(8) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 N8 1.468(7) . ?
C14 C23 1.505(8) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 N5 1.460(7) . ?
C15 C29 1.515(8) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 N7 1.457(7) . ?
C16 C35 1.522(8) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C22 1.371(8) . ?
C17 C18 1.395(8) . ?
C18 C19 1.395(9) . ?
C18 H18 0.9300 . ?
C19 C20 1.357(10) . ?
C19 H19 0.9300 . ?
C20 C21 1.378(10) . ?
C20 H20 0.9300 . ?
C21 C22 1.398(9) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 C24 1.392(9) . ?
C23 C28 1.394(8) . ?
C24 C25 1.385(11) . ?
C24 H24 0.94(7) . ?
C25 C26 1.358(12) . ?
C25 H25 0.81(8) . ?
C26 C27 1.389(11) . ?
C26 H26 0.9300 . ?
C27 C28 1.367(10) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 C30 1.377(8) . ?
C29 C34 1.398(8) . ?
C30 C31 1.372(9) . ?
C30 H30 0.9300 . ?
C31 C32 1.385(10) . ?
C31 H31 0.9300 . ?
C32 C33 1.359(11) . ?
C32 H32 0.9300 . ?
C33 C34 1.396(9) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
C35 C36 1.370(8) . ?
C35 C40 1.381(8) . ?
C36 C37 1.397(9) . ?
C36 H36 0.9300 . ?
C37 C38 1.378(10) . ?
C37 H37 0.9300 . ?
C38 C39 1.370(11) . ?
C38 H38 0.9300 . ?
C39 C40 1.386(10) . ?
C39 H39 0.9300 . ?
C40 H40 0.9300 . ?
C41 C42 1.430(10) . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 N9 1.134(9) . ?
N2 Co 1.849(4) . ?
N3 Co 1.842(4) . ?
N5 Co 1.953(4) . ?
N6 Co 1.977(4) . ?
N7 Co 1.962(4) . ?
N8 Co 1.963(4) . ?
N9 Ag1 2.086(7) . ?
O5 H1O5 0.85(2) . ?
O5 H2O5 0.84(2) . ?
O6 H1O6 0.85(2) . ?
O6 H2O6 0.78(2) . ?
O7 H1O7 0.85(2) . ?
O7 H2O7 0.85(2) . ?
O8 Ag1 2.124(6) . ?
O8 H1O8 0.85(2) . ?
O8 H2O8 0.85(2) . ?
O9 H1O9 0.85(9) . ?
O9 H2O9 0.78(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 C2 122.0(5) . . ?
N1 C1 H1 119.0 . . ?
C2 C1 H1 119.0 . . ?
N2 C2 C1 118.0(5) . . ?
N2 C2 C9 113.0(4) . . ?
C1 C2 C9 128.7(5) . . ?
N2 C3 C4 116.6(5) . . ?
N2 C3 C10 113.0(5) . . ?
C4 C3 C10 130.3(5) . . ?
N1 C4 C3 122.7(5) . . ?
N1 C4 H4 118.6 . . ?
C3 C4 H4 118.6 . . ?
N3 C5 C6 118.2(5) . . ?
N3 C5 C11 111.7(5) . . ?
C6 C5 C11 130.0(5) . . ?
N4 C6 C5 121.9(6) . . ?
N4 C6 H6 119.1 . . ?
C5 C6 H6 119.1 . . ?
N3 C7 C8 117.6(5) . . ?
N3 C7 C12 112.4(5) . . ?
C8 C7 C12 130.0(5) . . ?
N4 C8 C7 122.6(6) . . ?
N4 C8 H8 118.7 . . ?
C7 C8 H8 118.7 . . ?
O1 C9 N7 128.0(5) . . ?
O1 C9 C2 120.8(5) . . ?
N7 C9 C2 111.1(4) . . ?
O2 C10 N5 128.1(5) . . ?
O2 C10 C3 121.0(5) . . ?
N5 C10 C3 110.9(4) . . ?
O4 C11 N8 128.2(5) . . ?
O4 C11 C5 119.9(5) . . ?
N8 C11 C5 111.9(5) . . ?
O3 C12 N6 127.6(5) . . ?
O3 C12 C7 120.4(5) . . ?
N6 C12 C7 111.9(4) . . ?
N6 C13 C17 114.4(4) . . ?
N6 C13 H13A 108.7 . . ?
C17 C13 H13A 108.7 . . ?
N6 C13 H13B 108.7 . . ?
C17 C13 H13B 108.7 . . ?
H13A C13 H13B 107.6 . . ?
N8 C14 C23 115.4(4) . . ?
N8 C14 H14A 108.4 . . ?
C23 C14 H14A 108.4 . . ?
N8 C14 H14B 108.4 . . ?
C23 C14 H14B 108.4 . . ?
H14A C14 H14B 107.5 . . ?
N5 C15 C29 114.5(4) . . ?
N5 C15 H15A 108.6 . . ?
C29 C15 H15A 108.6 . . ?
N5 C15 H15B 108.6 . . ?
C29 C15 H15B 108.6 . . ?
H15A C15 H15B 107.6 . . ?
N7 C16 C35 115.0(4) . . ?
N7 C16 H16A 108.5 . . ?
C35 C16 H16A 108.5 . . ?
N7 C16 H16B 108.5 . . ?
C35 C16 H16B 108.5 . . ?
H16A C16 H16B 107.5 . . ?
C22 C17 C18 118.7(5) . . ?
C22 C17 C13 122.0(5) . . ?
C18 C17 C13 119.3(5) . . ?
C19 C18 C17 120.4(6) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C20 C19 C18 120.1(6) . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C19 C20 C21 120.3(6) . . ?
C19 C20 H20 119.9 . . ?
C21 C20 H20 119.9 . . ?
C20 C21 C22 119.9(6) . . ?
C20 C21 H21 120.1 . . ?
C22 C21 H21 120.1 . . ?
C17 C22 C21 120.6(6) . . ?
C17 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C24 C23 C28 117.7(6) . . ?
C24 C23 C14 119.6(5) . . ?
C28 C23 C14 122.6(5) . . ?
C25 C24 C23 120.9(7) . . ?
C25 C24 H24 123(4) . . ?
C23 C24 H24 116(4) . . ?
C26 C25 C24 120.4(8) . . ?
C26 C25 H25 110(6) . . ?
C24 C25 H25 129(6) . . ?
C25 C26 C27 119.6(7) . . ?
C25 C26 H26 120.2 . . ?
C27 C26 H26 120.2 . . ?
C28 C27 C26 120.3(7) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C27 C28 C23 121.0(7) . . ?
C27 C28 H28 119.5 . . ?
C23 C28 H28 119.5 . . ?
C30 C29 C34 118.7(6) . . ?
C30 C29 C15 122.1(5) . . ?
C34 C29 C15 119.2(5) . . ?
C31 C30 C29 120.7(6) . . ?
C31 C30 H30 119.7 . . ?
C29 C30 H30 119.7 . . ?
C30 C31 C32 120.5(6) . . ?
C30 C31 H31 119.8 . . ?
C32 C31 H31 119.8 . . ?
C33 C32 C31 120.1(6) . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C32 C33 C34 119.9(6) . . ?
C32 C33 H33 120.1 . . ?
C34 C33 H33 120.1 . . ?
C33 C34 C29 120.2(6) . . ?
C33 C34 H34 119.9 . . ?
C29 C34 H34 119.9 . . ?
C36 C35 C40 119.5(6) . . ?
C36 C35 C16 121.9(5) . . ?
C40 C35 C16 118.5(5) . . ?
C35 C36 C37 120.2(6) . . ?
C35 C36 H36 119.9 . . ?
C37 C36 H36 119.9 . . ?
C38 C37 C36 120.2(6) . . ?
C38 C37 H37 119.9 . . ?
C36 C37 H37 119.9 . . ?
C39 C38 C37 119.1(7) . . ?
C39 C38 H38 120.4 . . ?
C37 C38 H38 120.4 . . ?
C38 C39 C40 121.0(7) . . ?
C38 C39 H39 119.5 . . ?
C40 C39 H39 119.5 . . ?
C35 C40 C39 119.9(6) . . ?
C35 C40 H40 120.0 . . ?
C39 C40 H40 120.0 . . ?
C42 C41 H41A 109.5 . . ?
C42 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C42 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
N9 C42 C41 178.1(7) . . ?
C1 N1 C4 117.7(5) . . ?
C2 N2 C3 123.0(5) . . ?
C2 N2 Co 118.7(4) . . ?
C3 N2 Co 118.2(4) . . ?
C7 N3 C5 121.7(5) . . ?
C7 N3 Co 119.1(4) . . ?
C5 N3 Co 119.2(4) . . ?
C8 N4 C6 117.8(5) . . ?
C10 N5 C15 117.8(5) . . ?
C10 N5 Co 115.6(4) . . ?
C15 N5 Co 125.9(4) . . ?
C12 N6 C13 117.8(4) . . ?
C12 N6 Co 114.7(4) . . ?
C13 N6 Co 126.2(4) . . ?
C9 N7 C16 116.8(4) . . ?
C9 N7 Co 115.4(4) . . ?
C16 N7 Co 126.5(4) . . ?
C11 N8 C14 117.7(4) . . ?
C11 N8 Co 115.7(4) . . ?
C14 N8 Co 125.6(4) . . ?
C42 N9 Ag1 175.5(7) . . ?
H1O5 O5 H2O5 97(7) . . ?
H1O6 O6 H2O6 95(10) . . ?
H1O7 O7 H2O7 118(9) . . ?
Ag1 O8 H1O8 108(8) . . ?
Ag1 O8 H2O8 120(10) . . ?
H1O8 O8 H2O8 72(2) . . ?
H1O9 O9 H2O9 106(8) . . ?
N3 Co N2 178.95(19) . . ?
N3 Co N5 98.99(18) . . ?
N2 Co N5 81.95(18) . . ?
N3 Co N7 97.34(18) . . ?
N2 Co N7 81.71(18) . . ?
N5 Co N7 163.65(18) . . ?
N3 Co N8 81.55(18) . . ?
N2 Co N8 98.92(18) . . ?
N5 Co N8 91.66(18) . . ?
N7 Co N8 91.49(18) . . ?
N3 Co N6 81.78(18) . . ?
N2 Co N6 97.76(18) . . ?
N5 Co N6 90.09(18) . . ?
N7 Co N6 91.48(18) . . ?
N8 Co N6 163.31(18) . . ?
N9 Ag1 O8 176.2(3) . . ?

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 C1 C2 N2 0.5(9) . . . . ?
N1 C1 C2 C9 -172.1(6) . . . . ?
N2 C3 C4 N1 1.2(9) . . . . ?
C10 C3 C4 N1 -180.0(6) . . . . ?
N3 C5 C6 N4 0.7(9) . . . . ?
C11 C5 C6 N4 176.6(6) . . . . ?
N3 C7 C8 N4 -1.7(9) . . . . ?
C12 C7 C8 N4 176.9(6) . . . . ?
N2 C2 C9 O1 -177.9(5) . . . . ?
C1 C2 C9 O1 -5.1(9) . . . . ?
N2 C2 C9 N7 -0.8(6) . . . . ?
C1 C2 C9 N7 172.1(5) . . . . ?
N2 C3 C10 O2 -177.6(5) . . . . ?
C4 C3 C10 O2 3.5(9) . . . . ?
N2 C3 C10 N5 0.8(6) . . . . ?
C4 C3 C10 N5 -178.1(5) . . . . ?
N3 C5 C11 O4 179.0(5) . . . . ?
C6 C5 C11 O4 3.0(9) . . . . ?
N3 C5 C11 N8 0.0(6) . . . . ?
C6 C5 C11 N8 -176.1(6) . . . . ?
N3 C7 C12 O3 176.2(5) . . . . ?
C8 C7 C12 O3 -2.5(9) . . . . ?
N3 C7 C12 N6 -1.4(6) . . . . ?
C8 C7 C12 N6 180.0(5) . . . . ?
N6 C13 C17 C22 -34.7(7) . . . . ?
N6 C13 C17 C18 146.6(5) . . . . ?
C22 C17 C18 C19 0.6(9) . . . . ?
C13 C17 C18 C19 179.3(5) . . . . ?
C17 C18 C19 C20 1.3(10) . . . . ?
C18 C19 C20 C21 -1.0(10) . . . . ?
C19 C20 C21 C22 -1.1(10) . . . . ?
C18 C17 C22 C21 -2.7(8) . . . . ?
C13 C17 C22 C21 178.6(5) . . . . ?
C20 C21 C22 C17 3.0(9) . . . . ?
N8 C14 C23 C24 142.5(6) . . . . ?
N8 C14 C23 C28 -37.3(8) . . . . ?
C28 C23 C24 C25 -0.6(10) . . . . ?
C14 C23 C24 C25 179.7(6) . . . . ?
C23 C24 C25 C26 1.2(12) . . . . ?
C24 C25 C26 C27 -0.5(12) . . . . ?
C25 C26 C27 C28 -0.9(11) . . . . ?
C26 C27 C28 C23 1.5(10) . . . . ?
C24 C23 C28 C27 -0.8(9) . . . . ?
C14 C23 C28 C27 179.0(6) . . . . ?
N5 C15 C29 C30 40.8(7) . . . . ?
N5 C15 C29 C34 -139.7(5) . . . . ?
C34 C29 C30 C31 0.5(8) . . . . ?
C15 C29 C30 C31 179.9(5) . . . . ?
C29 C30 C31 C32 -0.5(9) . . . . ?
C30 C31 C32 C33 -0.3(10) . . . . ?
C31 C32 C33 C34 0.9(10) . . . . ?
C32 C33 C34 C29 -0.9(10) . . . . ?
C30 C29 C34 C33 0.2(9) . . . . ?
C15 C29 C34 C33 -179.3(6) . . . . ?
N7 C16 C35 C36 33.8(7) . . . . ?
N7 C16 C35 C40 -148.0(5) . . . . ?
C40 C35 C36 C37 2.0(8) . . . . ?
C16 C35 C36 C37 -179.9(5) . . . . ?
C35 C36 C37 C38 -1.2(9) . . . . ?
C36 C37 C38 C39 0.0(10) . . . . ?
C37 C38 C39 C40 0.3(11) . . . . ?
C36 C35 C40 C39 -1.6(9) . . . . ?
C16 C35 C40 C39 -179.9(6) . . . . ?
C38 C39 C40 C35 0.5(11) . . . . ?
C2 C1 N1 C4 -1.4(10) . . . . ?
C3 C4 N1 C1 0.6(10) . . . . ?
C1 C2 N2 C3 1.4(8) . . . . ?
C9 C2 N2 C3 175.1(4) . . . . ?
C1 C2 N2 Co -175.3(4) . . . . ?
C9 C2 N2 Co -1.6(6) . . . . ?
C4 C3 N2 C2 -2.2(7) . . . . ?
C10 C3 N2 C2 178.8(4) . . . . ?
C4 C3 N2 Co 174.5(4) . . . . ?
C10 C3 N2 Co -4.5(6) . . . . ?
C8 C7 N3 C5 1.7(7) . . . . ?
C12 C7 N3 C5 -177.2(4) . . . . ?
C8 C7 N3 Co -177.6(4) . . . . ?
C12 C7 N3 Co 3.5(6) . . . . ?
C6 C5 N3 C7 -1.2(8) . . . . ?
C11 C5 N3 C7 -177.8(4) . . . . ?
C6 C5 N3 Co 178.1(4) . . . . ?
C11 C5 N3 Co 1.5(6) . . . . ?
C7 C8 N4 C6 1.3(10) . . . . ?
C5 C6 N4 C8 -0.8(10) . . . . ?
O2 C10 N5 C15 10.4(8) . . . . ?
C3 C10 N5 C15 -167.8(4) . . . . ?
O2 C10 N5 Co -178.7(4) . . . . ?
C3 C10 N5 Co 3.0(5) . . . . ?
C29 C15 N5 C10 -116.3(5) . . . . ?
C29 C15 N5 Co 74.0(6) . . . . ?
O3 C12 N6 C13 -10.1(8) . . . . ?
C7 C12 N6 C13 167.2(4) . . . . ?
O3 C12 N6 Co -178.4(4) . . . . ?
C7 C12 N6 Co -1.1(5) . . . . ?
C17 C13 N6 C12 120.7(5) . . . . ?
C17 C13 N6 Co -72.4(6) . . . . ?
O1 C9 N7 C16 11.4(8) . . . . ?
C2 C9 N7 C16 -165.5(4) . . . . ?
O1 C9 N7 Co 179.5(5) . . . . ?
C2 C9 N7 Co 2.7(5) . . . . ?
C35 C16 N7 C9 -118.1(5) . . . . ?
C35 C16 N7 Co 75.3(6) . . . . ?
O4 C11 N8 C14 -10.9(8) . . . . ?
C5 C11 N8 C14 168.0(4) . . . . ?
O4 C11 N8 Co 179.7(5) . . . . ?
C5 C11 N8 Co -1.3(6) . . . . ?
C23 C14 N8 C11 120.4(5) . . . . ?
C23 C14 N8 Co -71.4(6) . . . . ?
C41 C42 N9 Ag1 -50(28) . . . . ?
C7 N3 Co N2 61(10) . . . . ?
C5 N3 Co N2 -118(10) . . . . ?
C7 N3 Co N5 -92.1(4) . . . . ?
C5 N3 Co N5 88.6(4) . . . . ?
C7 N3 Co N7 87.1(4) . . . . ?
C5 N3 Co N7 -92.2(4) . . . . ?
C7 N3 Co N8 177.6(4) . . . . ?
C5 N3 Co N8 -1.8(4) . . . . ?
C7 N3 Co N6 -3.3(4) . . . . ?
C5 N3 Co N6 177.4(4) . . . . ?
C2 N2 Co N3 29(10) . . . . ?
C3 N2 Co N3 -148(10) . . . . ?
C2 N2 Co N5 -178.2(4) . . . . ?
C3 N2 Co N5 4.9(4) . . . . ?
C2 N2 Co N7 2.4(4) . . . . ?
C3 N2 Co N7 -174.5(4) . . . . ?
C2 N2 Co N8 -87.8(4) . . . . ?
C3 N2 Co N8 95.3(4) . . . . ?
C2 N2 Co N6 92.8(4) . . . . ?
C3 N2 Co N6 -84.1(4) . . . . ?
C10 N5 Co N3 175.2(4) . . . . ?
C15 N5 Co N3 -14.9(4) . . . . ?
C10 N5 Co N2 -4.4(4) . . . . ?
C15 N5 Co N2 165.6(4) . . . . ?
C10 N5 Co N7 -2.1(8) . . . . ?
C15 N5 Co N7 167.8(5) . . . . ?
C10 N5 Co N8 -103.1(4) . . . . ?
C15 N5 Co N8 66.8(4) . . . . ?
C10 N5 Co N6 93.5(4) . . . . ?
C15 N5 Co N6 -96.6(4) . . . . ?
C9 N7 Co N3 177.6(4) . . . . ?
C16 N7 Co N3 -15.6(4) . . . . ?
C9 N7 Co N2 -2.8(4) . . . . ?
C16 N7 Co N2 163.9(4) . . . . ?
C9 N7 Co N5 -5.1(8) . . . . ?
C16 N7 Co N5 161.7(6) . . . . ?
C9 N7 Co N8 96.0(4) . . . . ?
C16 N7 Co N8 -97.3(4) . . . . ?
C9 N7 Co N6 -100.5(4) . . . . ?
C16 N7 Co N6 66.3(4) . . . . ?
C11 N8 Co N3 1.7(4) . . . . ?
C14 N8 Co N3 -166.7(4) . . . . ?
C11 N8 Co N2 -179.3(4) . . . . ?
C14 N8 Co N2 12.4(4) . . . . ?
C11 N8 Co N5 -97.1(4) . . . . ?
C14 N8 Co N5 94.5(4) . . . . ?
C11 N8 Co N7 98.9(4) . . . . ?
C14 N8 Co N7 -69.5(4) . . . . ?
C11 N8 Co N6 -1.3(8) . . . . ?
C14 N8 Co N6 -169.7(5) . . . . ?
C12 N6 Co N3 2.4(4) . . . . ?
C13 N6 Co N3 -164.9(4) . . . . ?
C12 N6 Co N2 -176.7(4) . . . . ?
C13 N6 Co N2 16.1(4) . . . . ?
C12 N6 Co N5 101.4(4) . . . . ?
C13 N6 Co N5 -65.8(4) . . . . ?
C12 N6 Co N7 -94.8(4) . . . . ?
C13 N6 Co N7 97.9(4) . . . . ?
C12 N6 Co N8 5.3(8) . . . . ?
C13 N6 Co N8 -161.9(6) . . . . ?
C42 N9 Ag1 O8 10(11) . . . . ?

_diffrn_measured_fraction_theta_max 0.976
_diffrn_reflns_theta_full        25.71
_diffrn_measured_fraction_theta_full 0.976
_refine_diff_density_max         1.805
_refine_diff_density_min         -1.196
_refine_diff_density_rms         0.127
####################################################################### 
# 
# 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_csp_co_ag-2
_audit_block_doi                 10.5517/cc1jq2ht
_database_code_depnum_ccdc_archive 'CCDC 1421396'
_audit_update_record             
;
2015-08-31 deposited with the CCDC.
2016-06-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H34 Ag Co N8 O5'
_chemical_formula_weight         873.55

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'
Co Co 0.3494 0.9721 '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   P2(1)/n

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                   12.288(3)
_cell_length_b                   16.136(4)
_cell_length_c                   18.416(5)
_cell_angle_alpha                90.000
_cell_angle_beta                 98.103(10)
_cell_angle_gamma                90.000
_cell_volume                     3615(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9906
_cell_measurement_theta_min      2.48
_cell_measurement_theta_max      26.94

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.605
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1776
_exptl_absorpt_coefficient_mu    1.059
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.6216
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   SADABS-2008/1

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            44063
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_av_sigmaI/netI    0.0336
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.69
_diffrn_reflns_theta_max         27.14
_reflns_number_total             7995
_reflns_number_gt                5961
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT A'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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 > 2σ(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)+(0.0447P)²+3.0622P] 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         7995
_refine_ls_number_parameters     504
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0616
_refine_ls_R_factor_gt           0.0375
_refine_ls_wR_factor_ref         0.1007
_refine_ls_wR_factor_gt          0.0874
_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
C1 C 0.3635(2) 0.17472(17) 0.66111(15) 0.0327(6) Uani 1 1 d . . .
C2 C 0.3085(2) 0.17888(19) 0.59059(16) 0.0371(7) Uani 1 1 d . . .
H2 H 0.2439 0.2094 0.5815 0.044 Uiso 1 1 calc R . .
C3 C 0.4987(2) 0.09395(16) 0.61887(15) 0.0300(6) Uani 1 1 d . . .
C4 C 0.4409(2) 0.09800(18) 0.54890(16) 0.0351(6) Uani 1 1 d . . .
H4 H 0.4685 0.0710 0.5108 0.042 Uiso 1 1 calc R . .
C5 C 0.6025(2) 0.04828(17) 0.64433(15) 0.0319(6) Uani 1 1 d . . .
C6 C 0.3340(2) 0.21224(18) 0.73047(16) 0.0356(6) Uani 1 1 d . . .
C7 C 0.7033(2) 0.17849(17) 0.87059(15) 0.0331(6) Uani 1 1 d . . .
C8 C 0.6083(2) 0.06221(18) 0.90241(15) 0.0363(7) Uani 1 1 d . . .
C9 C 0.6806(3) 0.0566(2) 0.96727(17) 0.0479(8) Uani 1 1 d . . .
H9 H 0.6706 0.0149 1.0005 0.058 Uiso 1 1 calc R . .
C10 C 0.7753(3) 0.1698(2) 0.93510(17) 0.0437(8) Uani 1 1 d . . .
H10 H 0.8333 0.2071 0.9452 0.052 Uiso 1 1 calc R . .
C11 C 0.6976(2) 0.24419(17) 0.81358(15) 0.0329(6) Uani 1 1 d . . .
C12 C 0.5122(3) 0.00818(19) 0.87446(16) 0.0400(7) Uani 1 1 d . . .
C14 C 0.5871(2) 0.29956(17) 0.70875(16) 0.0347(6) Uani 1 1 d . . .
H14A H 0.6065 0.3502 0.7359 0.042 Uiso 1 1 calc R . .
H14B H 0.5076 0.2984 0.6973 0.042 Uiso 1 1 calc R . .
C15 C 0.6337(3) 0.30471(18) 0.63759(17) 0.0383(7) Uani 1 1 d . . .
C16 C 0.5637(3) 0.3224(2) 0.57379(19) 0.0565(9) Uani 1 1 d . . .
H16 H 0.4883 0.3237 0.5748 0.068 Uiso 1 1 calc R . .
C17 C 0.6032(5) 0.3382(3) 0.5091(2) 0.0767(13) Uani 1 1 d . . .
H17 H 0.5551 0.3507 0.4669 0.092 Uiso 1 1 calc R . .
C18 C 0.7119(5) 0.3354(3) 0.5074(3) 0.0853(15) Uani 1 1 d . . .
H18 H 0.7388 0.3458 0.4635 0.102 Uiso 1 1 calc R . .
C20 C 0.7445(3) 0.3015(2) 0.6348(2) 0.0539(9) Uani 1 1 d . . .
H20 H 0.7930 0.2887 0.6768 0.065 Uiso 1 1 calc R . .
C21 C 0.7231(2) 0.00719(17) 0.75109(16) 0.0335(6) Uani 1 1 d . . .
H21A H 0.7298 -0.0414 0.7211 0.040 Uiso 1 1 calc R . .
H21B H 0.7059 -0.0118 0.7981 0.040 Uiso 1 1 calc R . .
C22 C 0.8327(2) 0.05089(18) 0.76326(17) 0.0389(7) Uani 1 1 d . . .
C23 C 0.8591(3) 0.1124(2) 0.7174(2) 0.0560(9) Uani 1 1 d . . .
H23 H 0.8073 0.1295 0.6785 0.067 Uiso 1 1 calc R . .
C24 C 0.9621(3) 0.1493(3) 0.7281(3) 0.0749(13) Uani 1 1 d . . .
H24 H 0.9784 0.1919 0.6974 0.090 Uiso 1 1 calc R . .
C25 C 1.0396(4) 0.1230(3) 0.7840(4) 0.0942(19) Uani 1 1 d . . .
H25 H 1.1089 0.1472 0.7909 0.113 Uiso 1 1 calc R . .
C26 C 1.0153(3) 0.0614(3) 0.8297(3) 0.0838(15) Uani 1 1 d . . .
H26 H 1.0686 0.0432 0.8671 0.101 Uiso 1 1 calc R . .
C27 C 0.9117(3) 0.0257(2) 0.8206(2) 0.0575(10) Uani 1 1 d . . .
H27 H 0.8950 -0.0151 0.8530 0.069 Uiso 1 1 calc R . .
C28 C 0.3919(3) 0.22328(19) 0.85982(15) 0.0370(7) Uani 1 1 d . . .
H28A H 0.4139 0.1798 0.8952 0.044 Uiso 1 1 calc R . .
H28B H 0.3138 0.2328 0.8592 0.044 Uiso 1 1 calc R . .
C29 C 0.4533(2) 0.30148(19) 0.88437(15) 0.0346(6) Uani 1 1 d . . .
C30 C 0.4500(3) 0.3691(2) 0.83799(18) 0.0427(7) Uani 1 1 d . . .
H30 H 0.4115 0.3649 0.7909 0.051 Uiso 1 1 calc R . .
C31 C 0.5020(3) 0.4423(2) 0.8597(2) 0.0600(10) Uani 1 1 d . . .
H31 H 0.5000 0.4864 0.8271 0.072 Uiso 1 1 calc R . .
C32 C 0.5568(3) 0.4501(3) 0.9292(3) 0.0709(13) Uani 1 1 d . . .
H32 H 0.5914 0.4997 0.9441 0.085 Uiso 1 1 calc R . .
C33 C 0.5607(3) 0.3846(3) 0.9772(2) 0.0743(14) Uani 1 1 d . . .
H33 H 0.5970 0.3903 1.0247 0.089 Uiso 1 1 calc R . .
C34 C 0.5100(3) 0.3089(2) 0.95460(18) 0.0537(9) Uani 1 1 d . . .
H34 H 0.5145 0.2641 0.9867 0.064 Uiso 1 1 calc R . .
C35 C 0.3642(3) -0.0062(2) 0.77550(18) 0.0439(8) Uani 1 1 d . . .
H35A H 0.3086 0.0367 0.7663 0.053 Uiso 1 1 calc R . .
H35B H 0.3408 -0.0444 0.8109 0.053 Uiso 1 1 calc R . .
C36 C 0.3704(3) -0.05233(19) 0.70479(18) 0.0418(7) Uani 1 1 d . . .
C37 C 0.2909(3) -0.0389(2) 0.6450(2) 0.0576(10) Uani 1 1 d . . .
H37 H 0.2352 -0.0005 0.6479 0.069 Uiso 1 1 calc R . .
C38 C 0.2942(5) -0.0828(3) 0.5809(2) 0.0781(14) Uani 1 1 d . . .
H38 H 0.2402 -0.0737 0.5410 0.094 Uiso 1 1 calc R . .
C39 C 0.3740(5) -0.1382(3) 0.5753(3) 0.0830(15) Uani 1 1 d . . .
H39 H 0.3752 -0.1671 0.5317 0.100 Uiso 1 1 calc R . .
C40 C 0.4545(4) -0.1524(3) 0.6345(3) 0.0779(13) Uani 1 1 d . . .
H40 H 0.5100 -0.1907 0.6307 0.093 Uiso 1 1 calc R . .
C41 C 0.4521(3) -0.1093(2) 0.6996(2) 0.0570(9) Uani 1 1 d . . .
H41 H 0.5058 -0.1190 0.7396 0.068 Uiso 1 1 calc R . .
C119 C 0.7843(4) 0.3173(3) 0.5694(3) 0.0755(13) Uani 1 1 d . . .
H119 H 0.8595 0.3157 0.5675 0.091 Uiso 1 1 calc R . .
N1 N 0.45725(18) 0.13180(14) 0.67330(12) 0.0285(5) Uani 1 1 d . . .
N2 N 0.3463(2) 0.13972(16) 0.53465(13) 0.0386(6) Uani 1 1 d . . .
N3 N 0.62207(19) 0.12371(14) 0.85662(12) 0.0300(5) Uani 1 1 d . . .
N4 N 0.7642(3) 0.10964(18) 0.98334(15) 0.0525(7) Uani 1 1 d . . .
N5 N 0.41070(19) 0.19490(14) 0.78725(12) 0.0319(5) Uani 1 1 d . . .
N6 N 0.63129(18) 0.05705(14) 0.71612(12) 0.0303(5) Uani 1 1 d . . .
N7 N 0.62075(18) 0.22934(14) 0.75757(12) 0.0299(5) Uani 1 1 d . . .
N8 N 0.4679(2) 0.03200(15) 0.80743(13) 0.0356(6) Uani 1 1 d . . .
O1 O 0.24866(18) 0.25284(16) 0.73063(12) 0.0524(6) Uani 1 1 d . . .
O2 O 0.64764(17) 0.00862(13) 0.59858(11) 0.0425(5) Uani 1 1 d . . .
O3 O 0.4836(2) -0.04846(15) 0.91286(13) 0.0593(7) Uani 1 1 d . . .
O4 O 0.75948(18) 0.30679(13) 0.82345(12) 0.0435(5) Uani 1 1 d . . .
O5 O 0.0907(2) 0.28911(17) 0.61039(16) 0.0712(8) Uani 1 1 d D . .
Co1 Co 0.53451(3) 0.12787(2) 0.76632(2) 0.02759(10) Uani 1 1 d . . .
Ag1 Ag 0.74579(2) 0.394060(17) 0.918320(14) 0.04901(10) Uani 1 1 d . . .
H51 H 0.058(4) 0.3442(17) 0.611(3) 0.101(16) Uiso 1 1 d D . .
H52 H 0.148(3) 0.288(3) 0.653(2) 0.123(19) Uiso 1 1 d D . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
C1 N1 1.336(3) . ?
C1 C2 1.379(4) . ?
C1 C6 1.503(4) . ?
C2 N2 1.346(4) . ?
C2 H2 0.9300 . ?
C3 N1 1.334(3) . ?
C3 C4 1.382(4) . ?
C3 C5 1.490(4) . ?
C4 N2 1.337(4) . ?
C4 H4 0.9300 . ?
C5 O2 1.249(3) . ?
C5 N6 1.327(3) . ?
C6 O1 1.237(3) . ?
C6 N5 1.335(4) . ?
C7 N3 1.331(4) . ?
C7 C10 1.385(4) . ?
C7 C11 1.487(4) . ?
C8 N3 1.328(4) . ?
C8 C9 1.387(4) . ?
C8 C12 1.500(4) . ?
C9 N4 1.338(4) . ?
C9 H9 0.9300 . ?
C10 N4 1.336(4) . ?
C10 H10 0.9300 . ?
C11 O4 1.262(3) . ?
C11 N7 1.319(4) . ?
C12 O3 1.236(4) . ?
C12 N8 1.333(4) . ?
C14 N7 1.469(3) . ?
C14 C15 1.504(4) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C20 1.371(5) . ?
C15 C16 1.385(5) . ?
C16 C17 1.372(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.342(7) . ?
C17 H17 0.9300 . ?
C18 C119 1.377(7) . ?
C18 H18 0.9300 . ?
C20 C119 1.386(6) . ?
C20 H20 0.9300 . ?
C21 N6 1.459(3) . ?
C21 C22 1.509(4) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C23 1.372(5) . ?
C22 C27 1.391(5) . ?
C23 C24 1.387(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.367(7) . ?
C24 H24 0.9300 . ?
C25 C26 1.361(8) . ?
C25 H25 0.9300 . ?
C26 C27 1.386(6) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 N5 1.462(3) . ?
C28 C29 1.507(4) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 C30 1.382(4) . ?
C29 C34 1.385(4) . ?
C30 C31 1.376(5) . ?
C30 H30 0.9300 . ?
C31 C32 1.366(6) . ?
C31 H31 0.9300 . ?
C32 C33 1.373(6) . ?
C32 Ag1 2.527(4) . ?
C32 H32 0.9300 . ?
C33 C34 1.407(6) . ?
C33 Ag1 2.658(5) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
C35 N8 1.463(4) . ?
C35 C36 1.511(4) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 C41 1.375(5) . ?
C36 C37 1.383(5) . ?
C37 C38 1.381(6) . ?
C37 H37 0.9300 . ?
C38 C39 1.342(7) . ?
C38 H38 0.9300 . ?
C39 C40 1.384(7) . ?
C39 H39 0.9300 . ?
C40 C41 1.389(6) . ?
C40 H40 0.9300 . ?
C41 H41 0.9300 . ?
C119 H119 0.9300 . ?
N1 Co1 1.839(2) . ?
N2 Ag1 2.381(2) 4_565 ?
N3 Co1 1.850(2) . ?
N5 Co1 1.949(2) . ?
N6 Co1 1.971(2) . ?
N7 Co1 1.969(2) . ?
N8 Co1 1.952(2) . ?
O2 Ag1 2.312(2) 2_646 ?
O4 Ag1 2.269(2) . ?
O5 H51 0.975(19) . ?
O5 H52 0.97(2) . ?
Ag1 O2 2.312(2) 2_656 ?
Ag1 N2 2.381(2) 4_666 ?

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 C1 C2 118.7(3) . . ?
N1 C1 C6 111.8(2) . . ?
C2 C1 C6 129.5(3) . . ?
N2 C2 C1 121.5(3) . . ?
N2 C2 H2 119.3 . . ?
C1 C2 H2 119.3 . . ?
N1 C3 C4 118.6(3) . . ?
N1 C3 C5 113.0(2) . . ?
C4 C3 C5 128.4(2) . . ?
N2 C4 C3 121.7(3) . . ?
N2 C4 H4 119.2 . . ?
C3 C4 H4 119.2 . . ?
O2 C5 N6 130.2(3) . . ?
O2 C5 C3 118.9(2) . . ?
N6 C5 C3 110.9(2) . . ?
O1 C6 N5 127.9(3) . . ?
O1 C6 C1 121.4(3) . . ?
N5 C6 C1 110.6(2) . . ?
N3 C7 C10 118.0(3) . . ?
N3 C7 C11 112.2(2) . . ?
C10 C7 C11 129.7(3) . . ?
N3 C8 C9 118.1(3) . . ?
N3 C8 C12 112.4(2) . . ?
C9 C8 C12 129.5(3) . . ?
N4 C9 C8 121.9(3) . . ?
N4 C9 H9 119.1 . . ?
C8 C9 H9 119.1 . . ?
N4 C10 C7 122.1(3) . . ?
N4 C10 H10 119.0 . . ?
C7 C10 H10 119.0 . . ?
O4 C11 N7 127.5(3) . . ?
O4 C11 C7 120.1(3) . . ?
N7 C11 C7 112.3(2) . . ?
O3 C12 N8 129.1(3) . . ?
O3 C12 C8 120.4(3) . . ?
N8 C12 C8 110.4(3) . . ?
N7 C14 C15 117.8(2) . . ?
N7 C14 H14A 107.8 . . ?
C15 C14 H14A 107.8 . . ?
N7 C14 H14B 107.8 . . ?
C15 C14 H14B 107.8 . . ?
H14A C14 H14B 107.2 . . ?
C20 C15 C16 118.6(3) . . ?
C20 C15 C14 122.1(3) . . ?
C16 C15 C14 118.9(3) . . ?
C17 C16 C15 121.4(4) . . ?
C17 C16 H16 119.3 . . ?
C15 C16 H16 119.3 . . ?
C18 C17 C16 119.3(4) . . ?
C18 C17 H17 120.3 . . ?
C16 C17 H17 120.3 . . ?
C17 C18 C119 121.1(4) . . ?
C17 C18 H18 119.5 . . ?
C119 C18 H18 119.5 . . ?
C15 C20 C119 119.9(4) . . ?
C15 C20 H20 120.0 . . ?
C119 C20 H20 120.0 . . ?
N6 C21 C22 115.2(2) . . ?
N6 C21 H21A 108.5 . . ?
C22 C21 H21A 108.5 . . ?
N6 C21 H21B 108.5 . . ?
C22 C21 H21B 108.5 . . ?
H21A C21 H21B 107.5 . . ?
C23 C22 C27 118.6(3) . . ?
C23 C22 C21 122.0(3) . . ?
C27 C22 C21 119.3(3) . . ?
C22 C23 C24 120.9(4) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 H23 119.6 . . ?
C25 C24 C23 119.9(5) . . ?
C25 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
C26 C25 C24 120.1(4) . . ?
C26 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
C25 C26 C27 120.5(4) . . ?
C25 C26 H26 119.8 . . ?
C27 C26 H26 119.8 . . ?
C26 C27 C22 120.0(4) . . ?
C26 C27 H27 120.0 . . ?
C22 C27 H27 120.0 . . ?
N5 C28 C29 113.5(2) . . ?
N5 C28 H28A 108.9 . . ?
C29 C28 H28A 108.9 . . ?
N5 C28 H28B 108.9 . . ?
C29 C28 H28B 108.9 . . ?
H28A C28 H28B 107.7 . . ?
C30 C29 C34 118.4(3) . . ?
C30 C29 C28 120.4(3) . . ?
C34 C29 C28 121.1(3) . . ?
C31 C30 C29 121.7(3) . . ?
C31 C30 H30 119.1 . . ?
C29 C30 H30 119.1 . . ?
C32 C31 C30 119.9(4) . . ?
C32 C31 H31 120.0 . . ?
C30 C31 H31 120.0 . . ?
C31 C32 C33 120.0(4) . . ?
C31 C32 Ag1 103.2(3) . . ?
C33 C32 Ag1 80.0(3) . . ?
C31 C32 H32 120.0 . . ?
C33 C32 H32 120.0 . . ?
Ag1 C32 H32 86.8 . . ?
C32 C33 C34 120.3(4) . . ?
C32 C33 Ag1 69.4(3) . . ?
C34 C33 Ag1 107.3(2) . . ?
C32 C33 H33 119.9 . . ?
C34 C33 H33 119.9 . . ?
Ag1 C33 H33 93.1 . . ?
C29 C34 C33 119.6(4) . . ?
C29 C34 H34 120.2 . . ?
C33 C34 H34 120.2 . . ?
N8 C35 C36 114.0(3) . . ?
N8 C35 H35A 108.7 . . ?
C36 C35 H35A 108.7 . . ?
N8 C35 H35B 108.7 . . ?
C36 C35 H35B 108.7 . . ?
H35A C35 H35B 107.6 . . ?
C41 C36 C37 119.3(3) . . ?
C41 C36 C35 121.1(3) . . ?
C37 C36 C35 119.6(3) . . ?
C38 C37 C36 119.9(4) . . ?
C38 C37 H37 120.1 . . ?
C36 C37 H37 120.1 . . ?
C39 C38 C37 121.1(4) . . ?
C39 C38 H38 119.4 . . ?
C37 C38 H38 119.4 . . ?
C38 C39 C40 119.9(4) . . ?
C38 C39 H39 120.1 . . ?
C40 C39 H39 120.1 . . ?
C39 C40 C41 119.8(5) . . ?
C39 C40 H40 120.1 . . ?
C41 C40 H40 120.1 . . ?
C36 C41 C40 119.9(4) . . ?
C36 C41 H41 120.0 . . ?
C40 C41 H41 120.0 . . ?
C18 C119 C20 119.7(4) . . ?
C18 C119 H119 120.2 . . ?
C20 C119 H119 120.2 . . ?
C3 N1 C1 121.5(2) . . ?
C3 N1 Co1 118.84(19) . . ?
C1 N1 Co1 119.62(19) . . ?
C4 N2 C2 118.1(3) . . ?
C4 N2 Ag1 112.83(19) . 4_565 ?
C2 N2 Ag1 127.22(19) . 4_565 ?
C8 N3 C7 122.2(2) . . ?
C8 N3 Co1 119.19(19) . . ?
C7 N3 Co1 118.35(19) . . ?
C10 N4 C9 117.7(3) . . ?
C6 N5 C28 117.7(2) . . ?
C6 N5 Co1 116.49(18) . . ?
C28 N5 Co1 125.69(19) . . ?
C5 N6 C21 117.5(2) . . ?
C5 N6 Co1 115.81(18) . . ?
C21 N6 Co1 126.34(18) . . ?
C11 N7 C14 116.6(2) . . ?
C11 N7 Co1 114.93(19) . . ?
C14 N7 Co1 125.67(18) . . ?
C12 N8 C35 118.0(3) . . ?
C12 N8 Co1 116.69(19) . . ?
C35 N8 Co1 124.5(2) . . ?
C5 O2 Ag1 144.55(19) . 2_646 ?
C11 O4 Ag1 119.96(18) . . ?
H51 O5 H52 105(4) . . ?
N1 Co1 N3 175.58(10) . . ?
N1 Co1 N5 81.39(10) . . ?
N3 Co1 N5 102.34(10) . . ?
N1 Co1 N8 101.49(10) . . ?
N3 Co1 N8 81.08(10) . . ?
N5 Co1 N8 88.95(11) . . ?
N1 Co1 N7 96.22(10) . . ?
N3 Co1 N7 81.50(10) . . ?
N5 Co1 N7 89.93(10) . . ?
N8 Co1 N7 161.89(10) . . ?
N1 Co1 N6 81.34(10) . . ?
N3 Co1 N6 95.03(10) . . ?
N5 Co1 N6 162.55(9) . . ?
N8 Co1 N6 92.06(10) . . ?
N7 Co1 N6 94.39(10) . . ?
O4 Ag1 O2 106.73(8) . 2_656 ?
O4 Ag1 N2 117.74(9) . 4_666 ?
O2 Ag1 N2 94.14(8) 2_656 4_666 ?
O4 Ag1 C32 116.88(11) . . ?
O2 Ag1 C32 105.62(12) 2_656 . ?
N2 Ag1 C32 112.13(14) 4_666 . ?
O4 Ag1 C33 116.04(10) . . ?
O2 Ag1 C33 129.37(12) 2_656 . ?
N2 Ag1 C33 89.16(12) 4_666 . ?
C32 Ag1 C33 30.58(14) . . ?

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 C1 C2 N2 1.1(5) . . . . ?
C6 C1 C2 N2 -178.7(3) . . . . ?
N1 C3 C4 N2 1.1(4) . . . . ?
C5 C3 C4 N2 177.8(3) . . . . ?
N1 C3 C5 O2 178.2(3) . . . . ?
C4 C3 C5 O2 1.3(5) . . . . ?
N1 C3 C5 N6 -1.1(3) . . . . ?
C4 C3 C5 N6 -178.0(3) . . . . ?
N1 C1 C6 O1 -178.4(3) . . . . ?
C2 C1 C6 O1 1.4(5) . . . . ?
N1 C1 C6 N5 1.5(3) . . . . ?
C2 C1 C6 N5 -178.7(3) . . . . ?
N3 C8 C9 N4 -1.9(5) . . . . ?
C12 C8 C9 N4 178.7(3) . . . . ?
N3 C7 C10 N4 -1.1(5) . . . . ?
C11 C7 C10 N4 175.1(3) . . . . ?
N3 C7 C11 O4 170.6(3) . . . . ?
C10 C7 C11 O4 -5.8(5) . . . . ?
N3 C7 C11 N7 -6.8(3) . . . . ?
C10 C7 C11 N7 176.8(3) . . . . ?
N3 C8 C12 O3 -175.0(3) . . . . ?
C9 C8 C12 O3 4.4(5) . . . . ?
N3 C8 C12 N8 4.2(4) . . . . ?
C9 C8 C12 N8 -176.4(3) . . . . ?
N7 C14 C15 C20 -53.0(4) . . . . ?
N7 C14 C15 C16 134.3(3) . . . . ?
C20 C15 C16 C17 -1.3(5) . . . . ?
C14 C15 C16 C17 171.7(4) . . . . ?
C15 C16 C17 C18 0.8(7) . . . . ?
C16 C17 C18 C119 -0.3(7) . . . . ?
C16 C15 C20 C119 1.2(5) . . . . ?
C14 C15 C20 C119 -171.6(3) . . . . ?
N6 C21 C22 C23 -30.4(4) . . . . ?
N6 C21 C22 C27 152.7(3) . . . . ?
C27 C22 C23 C24 -0.5(5) . . . . ?
C21 C22 C23 C24 -177.5(3) . . . . ?
C22 C23 C24 C25 1.6(6) . . . . ?
C23 C24 C25 C26 -0.9(7) . . . . ?
C24 C25 C26 C27 -0.9(8) . . . . ?
C25 C26 C27 C22 2.0(6) . . . . ?
C23 C22 C27 C26 -1.3(5) . . . . ?
C21 C22 C27 C26 175.8(3) . . . . ?
N5 C28 C29 C30 48.4(4) . . . . ?
N5 C28 C29 C34 -134.6(3) . . . . ?
C34 C29 C30 C31 0.7(5) . . . . ?
C28 C29 C30 C31 177.7(3) . . . . ?
C29 C30 C31 C32 -1.5(5) . . . . ?
C30 C31 C32 C33 0.7(6) . . . . ?
C30 C31 C32 Ag1 86.6(4) . . . . ?
C31 C32 C33 C34 1.0(6) . . . . ?
Ag1 C32 C33 C34 -98.6(4) . . . . ?
C31 C32 C33 Ag1 99.6(4) . . . . ?
C30 C29 C34 C33 1.0(5) . . . . ?
C28 C29 C34 C33 -176.0(3) . . . . ?
C32 C33 C34 C29 -1.8(6) . . . . ?
Ag1 C33 C34 C29 -77.7(3) . . . . ?
N8 C35 C36 C41 49.9(4) . . . . ?
N8 C35 C36 C37 -132.0(3) . . . . ?
C41 C36 C37 C38 0.0(5) . . . . ?
C35 C36 C37 C38 -178.0(3) . . . . ?
C36 C37 C38 C39 -0.4(6) . . . . ?
C37 C38 C39 C40 0.3(7) . . . . ?
C38 C39 C40 C41 0.2(7) . . . . ?
C37 C36 C41 C40 0.4(5) . . . . ?
C35 C36 C41 C40 178.4(3) . . . . ?
C39 C40 C41 C36 -0.5(6) . . . . ?
C17 C18 C119 C20 0.2(7) . . . . ?
C15 C20 C119 C18 -0.6(6) . . . . ?
C4 C3 N1 C1 -1.7(4) . . . . ?
C5 C3 N1 C1 -178.9(2) . . . . ?
C4 C3 N1 Co1 -179.2(2) . . . . ?
C5 C3 N1 Co1 3.6(3) . . . . ?
C2 C1 N1 C3 0.6(4) . . . . ?
C6 C1 N1 C3 -179.5(2) . . . . ?
C2 C1 N1 Co1 178.1(2) . . . . ?
C6 C1 N1 Co1 -2.0(3) . . . . ?
C3 C4 N2 C2 0.6(4) . . . . ?
C3 C4 N2 Ag1 -165.0(2) . . . 4_565 ?
C1 C2 N2 C4 -1.7(5) . . . . ?
C1 C2 N2 Ag1 161.5(2) . . . 4_565 ?
C9 C8 N3 C7 1.1(4) . . . . ?
C12 C8 N3 C7 -179.4(3) . . . . ?
C9 C8 N3 Co1 175.0(2) . . . . ?
C12 C8 N3 Co1 -5.6(3) . . . . ?
C10 C7 N3 C8 0.3(4) . . . . ?
C11 C7 N3 C8 -176.5(3) . . . . ?
C10 C7 N3 Co1 -173.6(2) . . . . ?
C11 C7 N3 Co1 9.6(3) . . . . ?
C7 C10 N4 C9 0.4(5) . . . . ?
C8 C9 N4 C10 1.1(5) . . . . ?
O1 C6 N5 C28 3.0(5) . . . . ?
C1 C6 N5 C28 -176.9(2) . . . . ?
O1 C6 N5 Co1 179.5(3) . . . . ?
C1 C6 N5 Co1 -0.4(3) . . . . ?
C29 C28 N5 C6 -100.1(3) . . . . ?
C29 C28 N5 Co1 83.8(3) . . . . ?
O2 C5 N6 C21 -7.2(4) . . . . ?
C3 C5 N6 C21 172.1(2) . . . . ?
O2 C5 N6 Co1 179.2(3) . . . . ?
C3 C5 N6 Co1 -1.6(3) . . . . ?
C22 C21 N6 C5 97.7(3) . . . . ?
C22 C21 N6 Co1 -89.4(3) . . . . ?
O4 C11 N7 C14 -13.6(4) . . . . ?
C7 C11 N7 C14 163.5(2) . . . . ?
O4 C11 N7 Co1 -175.7(2) . . . . ?
C7 C11 N7 Co1 1.5(3) . . . . ?
C15 C14 N7 C11 100.5(3) . . . . ?
C15 C14 N7 Co1 -99.6(3) . . . . ?
O3 C12 N8 C35 7.5(5) . . . . ?
C8 C12 N8 C35 -171.7(3) . . . . ?
O3 C12 N8 Co1 177.8(3) . . . . ?
C8 C12 N8 Co1 -1.4(3) . . . . ?
C36 C35 N8 C12 -119.8(3) . . . . ?
C36 C35 N8 Co1 70.6(3) . . . . ?
N6 C5 O2 Ag1 30.1(6) . . . 2_646 ?
C3 C5 O2 Ag1 -149.0(2) . . . 2_646 ?
N7 C11 O4 Ag1 114.8(3) . . . . ?
C7 C11 O4 Ag1 -62.1(3) . . . . ?
C3 N1 Co1 N3 31.3(14) . . . . ?
C1 N1 Co1 N3 -146.2(12) . . . . ?
C3 N1 Co1 N5 179.0(2) . . . . ?
C1 N1 Co1 N5 1.4(2) . . . . ?
C3 N1 Co1 N8 -93.8(2) . . . . ?
C1 N1 Co1 N8 88.6(2) . . . . ?
C3 N1 Co1 N7 90.0(2) . . . . ?
C1 N1 Co1 N7 -87.5(2) . . . . ?
C3 N1 Co1 N6 -3.5(2) . . . . ?
C1 N1 Co1 N6 178.9(2) . . . . ?
C8 N3 Co1 N1 -122.0(12) . . . . ?
C7 N3 Co1 N1 52.1(14) . . . . ?
C8 N3 Co1 N5 90.8(2) . . . . ?
C7 N3 Co1 N5 -95.1(2) . . . . ?
C8 N3 Co1 N8 3.9(2) . . . . ?
C7 N3 Co1 N8 177.9(2) . . . . ?
C8 N3 Co1 N7 178.9(2) . . . . ?
C7 N3 Co1 N7 -7.1(2) . . . . ?
C8 N3 Co1 N6 -87.4(2) . . . . ?
C7 N3 Co1 N6 86.6(2) . . . . ?
C6 N5 Co1 N1 -0.5(2) . . . . ?
C28 N5 Co1 N1 175.7(2) . . . . ?
C6 N5 Co1 N3 177.1(2) . . . . ?
C28 N5 Co1 N3 -6.7(2) . . . . ?
C6 N5 Co1 N8 -102.2(2) . . . . ?
C28 N5 Co1 N8 73.9(2) . . . . ?
C6 N5 Co1 N7 95.8(2) . . . . ?
C28 N5 Co1 N7 -88.0(2) . . . . ?
C6 N5 Co1 N6 -8.7(5) . . . . ?
C28 N5 Co1 N6 167.5(3) . . . . ?
C12 N8 Co1 N1 175.2(2) . . . . ?
C35 N8 Co1 N1 -15.1(3) . . . . ?
C12 N8 Co1 N3 -1.1(2) . . . . ?
C35 N8 Co1 N3 168.5(2) . . . . ?
C12 N8 Co1 N5 -103.8(2) . . . . ?
C35 N8 Co1 N5 65.9(2) . . . . ?
C12 N8 Co1 N7 -17.2(5) . . . . ?
C35 N8 Co1 N7 152.4(3) . . . . ?
C12 N8 Co1 N6 93.6(2) . . . . ?
C35 N8 Co1 N6 -96.7(2) . . . . ?
C11 N7 Co1 N1 -173.5(2) . . . . ?
C14 N7 Co1 N1 26.4(2) . . . . ?
C11 N7 Co1 N3 2.7(2) . . . . ?
C14 N7 Co1 N3 -157.5(2) . . . . ?
C11 N7 Co1 N5 105.2(2) . . . . ?
C14 N7 Co1 N5 -55.0(2) . . . . ?
C11 N7 Co1 N8 18.8(4) . . . . ?
C14 N7 Co1 N8 -141.4(3) . . . . ?
C11 N7 Co1 N6 -91.7(2) . . . . ?
C14 N7 Co1 N6 108.1(2) . . . . ?
C5 N6 Co1 N1 2.8(2) . . . . ?
C21 N6 Co1 N1 -170.2(2) . . . . ?
C5 N6 Co1 N3 -174.7(2) . . . . ?
C21 N6 Co1 N3 12.3(2) . . . . ?
C5 N6 Co1 N5 11.0(4) . . . . ?
C21 N6 Co1 N5 -162.0(3) . . . . ?
C5 N6 Co1 N8 104.1(2) . . . . ?
C21 N6 Co1 N8 -68.9(2) . . . . ?
C5 N6 Co1 N7 -92.9(2) . . . . ?
C21 N6 Co1 N7 94.1(2) . . . . ?
C11 O4 Ag1 O2 -170.4(2) . . . 2_656 ?
C11 O4 Ag1 N2 85.5(2) . . . 4_666 ?
C11 O4 Ag1 C32 -52.6(3) . . . . ?
C11 O4 Ag1 C33 -18.3(3) . . . . ?
C31 C32 Ag1 O4 -22.4(4) . . . . ?
C33 C32 Ag1 O4 96.3(3) . . . . ?
C31 C32 Ag1 O2 96.1(3) . . . 2_656 ?
C33 C32 Ag1 O2 -145.2(2) . . . 2_656 ?
C31 C32 Ag1 N2 -162.7(3) . . . 4_666 ?
C33 C32 Ag1 N2 -44.0(3) . . . 4_666 ?
C31 C32 Ag1 C33 -118.7(4) . . . . ?
C32 C33 Ag1 O4 -99.3(3) . . . . ?
C34 C33 Ag1 O4 17.2(3) . . . . ?
C32 C33 Ag1 O2 45.3(3) . . . 2_656 ?
C34 C33 Ag1 O2 161.8(2) . . . 2_656 ?
C32 C33 Ag1 N2 139.9(2) . . . 4_666 ?
C34 C33 Ag1 N2 -103.5(3) . . . 4_666 ?
C34 C33 Ag1 C32 116.5(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.14
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.272
_refine_diff_density_min         -0.996
_refine_diff_density_rms         0.073
