# Electronic Supplementary Material (ESI) for CrystEngComm
# This journal is (c) The Royal Society of Chemistry 2008

data_global
_journal_name_full               CrystEngComm

_journal_coden_Cambridge         1350

_publ_contact_author_name        'Sandeep Verma'
_publ_contact_author_email       SVERMA@IITK.AC.IN

_publ_section_title              
;
Contrasting crystallographic signatures of Ag(I)- and
Cu(II)-N6,N6'- bisadenine complexes: Extended vs. foldback geometries
;
loop_
_publ_author_name
'Sandeep Verma'
'Ashutosh Kumar Mishra'
'C. S. Purohit'

# Attachment 'bisadenine copper_Hadded.cif'

data_Bisadenine_copper_complex
_database_code_depnum_ccdc_archive 'CCDC 682049'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            'bis adenine copper complex'
_chemical_melting_point          ?
_chemical_formula_moiety         'C21 H30 Cl2 Cu N10 O2'
_chemical_formula_sum            'C21 H29 Cl2 Cu N10 O2'
_chemical_formula_weight         587.98

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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                   9.6584(6)
_cell_length_b                   11.3064(7)
_cell_length_c                   13.3168(8)
_cell_angle_alpha                69.1570(10)
_cell_angle_beta                 84.6630(10)
_cell_angle_gamma                78.6340(10)
_cell_volume                     1331.98(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      2.1
_cell_measurement_theta_max      28.3

_exptl_crystal_description       cuboid
_exptl_crystal_colour            greenish
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.466
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             608
_exptl_absorpt_coefficient_mu    1.060
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_correction_T_min  0.8160
_exptl_absorpt_correction_T_max  0.8322
_exptl_absorpt_process_details   '(North et al., 1968)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area Detector'
_diffrn_measurement_method       'Phi-Omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8830
_diffrn_reflns_av_R_equivalents  0.0238
_diffrn_reflns_av_sigmaI/netI    0.0552
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.07
_diffrn_reflns_theta_max         28.30
_reflns_number_total             6315
_reflns_number_gt                4837
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART 5.628 (Bruker, 2003)'
_computing_cell_refinement       'SMART 5.628 (Bruker, 2003)'
_computing_data_reduction        'SAINT+ 6.45 (Bruker, 2003)'
_computing_structure_solution    Sir92
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'diamond 3.1d'
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1358P)²+5.4740P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6315
_refine_ls_number_parameters     347
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.0998
_refine_ls_R_factor_gt           0.0680
_refine_ls_wR_factor_ref         0.2664
_refine_ls_wR_factor_gt          0.1767
_refine_ls_goodness_of_fit_ref   1.148
_refine_ls_restrained_S_all      1.145
_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
Cu1 Cu 0.75108(6) 0.37781(6) 0.73683(5) 0.0223(2) Uani 1 1 d . . .
Cl2 Cl 0.85702(14) 0.16606(13) 0.78495(12) 0.0287(3) Uani 1 1 d . . .
Cl1 Cl 0.67451(16) 0.53996(14) 0.57640(11) 0.0325(3) Uani 1 1 d . . .
N9' N 0.3720(5) 0.2592(4) 0.7375(4) 0.0242(9) Uani 1 1 d . . .
N3' N 0.3074(5) 0.1317(4) 0.9195(4) 0.0223(9) Uani 1 1 d . . .
N1' N 0.4618(4) 0.1336(4) 1.0515(4) 0.0223(9) Uani 1 1 d . . .
N6 N 0.9504(4) 0.2550(4) 0.9722(4) 0.0228(9) Uani 1 1 d . . .
H6 H 0.8900 0.2431 0.9348 0.027 Uiso 1 1 calc R . .
N6' N 0.6430(5) 0.2526(4) 1.0103(4) 0.0236(9) Uani 1 1 d . . .
H6' H 0.6797 0.3146 0.9647 0.028 Uiso 1 1 calc R . .
N1 N 1.1197(5) 0.3698(4) 0.9844(4) 0.0232(9) Uani 1 1 d . . .
N7 N 0.9395(4) 0.4335(4) 0.7297(4) 0.0233(9) Uani 1 1 d . . .
N9 N 1.1029(5) 0.5594(4) 0.6652(4) 0.0256(9) Uani 1 1 d . . .
N3 N 1.2175(5) 0.5225(5) 0.8302(4) 0.0268(10) Uani 1 1 d . . .
N7' N 0.5616(5) 0.3254(4) 0.7706(4) 0.0245(9) Uani 1 1 d . . .
C13 C 0.8392(6) 0.1054(5) 1.1261(5) 0.0253(11) Uani 1 1 d . . .
H13A H 0.8546 0.0498 1.2003 0.030 Uiso 1 1 calc R . .
H13B H 0.8353 0.0515 1.0841 0.030 Uiso 1 1 calc R . .
C5' C 0.5055(5) 0.2499(5) 0.8683(4) 0.0231(10) Uani 1 1 d . . .
C4 C 1.1231(5) 0.5017(5) 0.7747(4) 0.0233(10) Uani 1 1 d . . .
C6 C 1.0306(5) 0.3454(5) 0.9242(4) 0.0211(10) Uani 1 1 d . . .
C6' C 0.5394(5) 0.2133(5) 0.9767(4) 0.0206(10) Uani 1 1 d . . .
C10 C 1.1905(7) 0.6456(6) 0.5901(5) 0.0357(13) Uani 1 1 d . . .
H10A H 1.1799 0.6457 0.5184 0.043 Uiso 1 1 calc R . .
H10B H 1.2887 0.6117 0.6088 0.043 Uiso 1 1 calc R . .
C12 C 0.6981(5) 0.1968(5) 1.1193(4) 0.0242(10) Uani 1 1 d . . .
H12A H 0.6296 0.1504 1.1674 0.029 Uiso 1 1 calc R . .
H12B H 0.7100 0.2657 1.1433 0.029 Uiso 1 1 calc R . .
C4' C 0.3893(5) 0.2073(5) 0.8479(4) 0.0203(10) Uani 1 1 d . . .
C14 C 0.9628(6) 0.1766(5) 1.0853(5) 0.0255(11) Uani 1 1 d . . .
H14A H 0.9664 0.2311 1.1268 0.031 Uiso 1 1 calc R . .
H14B H 1.0502 0.1148 1.0957 0.031 Uiso 1 1 calc R . .
C10' C 0.2688(7) 0.2327(6) 0.6785(5) 0.0319(12) Uani 1 1 d . . .
H10C H 0.2394 0.3088 0.6168 0.038 Uiso 1 1 calc R . .
H10D H 0.1861 0.2140 0.7245 0.038 Uiso 1 1 calc R . .
C5 C 1.0242(5) 0.4194(5) 0.8127(4) 0.0205(10) Uani 1 1 d . . .
C2' C 0.3537(6) 0.0981(5) 1.0182(4) 0.0249(10) Uani 1 1 d . . .
H2' H 0.3050 0.0424 1.0720 0.030 Uiso 1 1 calc R . .
C8' C 0.4790(5) 0.3283(5) 0.6964(4) 0.0193(9) Uani 1 1 d . . .
H8' H 0.4917 0.3726 0.6234 0.023 Uiso 1 1 calc R . .
C8 C 0.9914(6) 0.5182(6) 0.6437(4) 0.0262(11) Uani 1 1 d . . .
H8 H 0.9541 0.5460 0.5755 0.031 Uiso 1 1 calc R . .
C2 C 1.2058(6) 0.4550(5) 0.9350(5) 0.0264(11) Uani 1 1 d . . .
H2 H 1.2648 0.4687 0.9796 0.032 Uiso 1 1 calc R . .
C11' C 0.3260(9) 0.1218(9) 0.6409(7) 0.054(2) Uani 1 1 d U . .
O1 O 0.6931(4) 0.4979(4) 0.8393(3) 0.0236(8) Uani 1 1 d . . .
O2 O 1.1649(4) 0.3100(4) 1.2020(3) 0.0299(9) Uani 1 1 d . . .
H2A H 1.1535 0.3131 1.1408 0.045 Uiso 1 1 calc R . .
C16 C 0.5515(6) 0.5691(6) 0.8345(5) 0.0334(13) Uani 1 1 d . . .
H16A H 0.5225 0.6060 0.7612 0.050 Uiso 1 1 calc R . .
H16B H 0.5486 0.6364 0.8632 0.050 Uiso 1 1 calc R . .
H16C H 0.4888 0.5124 0.8761 0.050 Uiso 1 1 calc R . .
C15 C 1.2345(7) 0.1842(6) 1.2634(5) 0.0343(13) Uani 1 1 d . . .
H15A H 1.2659 0.1853 1.3293 0.051 Uiso 1 1 calc R . .
H15B H 1.3143 0.1578 1.2228 0.051 Uiso 1 1 calc R . .
H15C H 1.1699 0.1249 1.2792 0.051 Uiso 1 1 calc R . .
C13B C 0.1960(13) 0.1214(12) 0.5686(9) 0.035(3) Uani 0.526(12) 1 d PU . .
H13C H 0.2222 0.0528 0.5402 0.053 Uiso 0.526(12) 1 calc PR . .
H13D H 0.1781 0.2020 0.5104 0.053 Uiso 0.526(12) 1 calc PR . .
H13E H 0.1123 0.1091 0.6131 0.053 Uiso 0.526(12) 1 calc PR . .
C11 C 1.1567(9) 0.7813(6) 0.5882(6) 0.0468(17) Uani 1 1 d U . .
C12B C 1.2730(17) 0.8532(14) 0.5157(13) 0.050(4) Uani 0.526(12) 1 d PU . .
H12C H 1.2548 0.9410 0.5125 0.075 Uiso 0.526(12) 1 calc PR . .
H12D H 1.2715 0.8505 0.4446 0.075 Uiso 0.526(12) 1 calc PR . .
H12E H 1.3641 0.8121 0.5457 0.075 Uiso 0.526(12) 1 calc PR . .
C13A C 0.4733(16) 0.1157(14) 0.5810(12) 0.039(3) Uani 0.474(12) 1 d PU . .
H13F H 0.4942 0.0393 0.5625 0.059 Uiso 0.474(12) 1 calc PR . .
H13G H 0.5449 0.1144 0.6270 0.059 Uiso 0.474(12) 1 calc PR . .
H13H H 0.4711 0.1899 0.5167 0.059 Uiso 0.474(12) 1 calc PR . .
C12A C 1.015(2) 0.8352(19) 0.5094(19) 0.071(6) Uani 0.474(12) 1 d PU . .
H12F H 0.9795 0.9239 0.5003 0.107 Uiso 0.474(12) 1 calc PR . .
H12G H 0.9423 0.7853 0.5425 0.107 Uiso 0.474(12) 1 calc PR . .
H12H H 1.0410 0.8272 0.4405 0.107 Uiso 0.474(12) 1 calc PR . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 N7' 1.996(5) . ?
Cu1 N7 2.024(4) . ?
Cu1 O1 2.213(4) . ?
Cu1 Cl2 2.2922(14) . ?
Cu1 Cl1 2.3334(15) . ?
N9' C8' 1.374(7) . ?
N9' C4' 1.388(7) . ?
N9' C10' 1.459(7) . ?
N3' C2' 1.326(7) . ?
N3' C4' 1.346(7) . ?
N1' C2' 1.351(7) . ?
N1' C6' 1.362(6) . ?
N6 C6 1.344(7) . ?
N6 C14 1.453(7) . ?
N6 H6 0.8600 . ?
N6' C6' 1.340(7) . ?
N6' C12 1.465(7) . ?
N6' H6' 0.8600 . ?
N1 C2 1.348(7) . ?
N1 C6 1.356(7) . ?
N7 C8 1.335(7) . ?
N7 C5 1.381(7) . ?
N9 C8 1.345(7) . ?
N9 C4 1.384(7) . ?
N9 C10 1.462(7) . ?
N3 C4 1.330(7) . ?
N3 C2 1.338(7) . ?
N7' C8' 1.315(7) . ?
N7' C5' 1.406(7) . ?
C13 C14 1.521(7) . ?
C13 C12 1.528(7) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C5' C4' 1.390(7) . ?
C5' C6' 1.404(7) . ?
C4 C5 1.399(7) . ?
C6 C5 1.421(7) . ?
C10 C11 1.496(9) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C10' C11' 1.500(10) . ?
C10' H10C 0.9700 . ?
C10' H10D 0.9700 . ?
C2' H2' 0.9300 . ?
C8' H8' 0.9300 . ?
C8 H8 0.9300 . ?
C2 H2 0.9300 . ?
C11' C13A 1.567(15) . ?
C11' C13B 1.654(14) . ?
O1 C16 1.439(7) . ?
O2 C15 1.429(8) . ?
O2 H2A 0.8200 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C13B H13C 0.9600 . ?
C13B H13D 0.9600 . ?
C13B H13E 0.9600 . ?
C11 C12B 1.567(15) . ?
C11 C12A 1.68(2) . ?
C12B H12C 0.9600 . ?
C12B H12D 0.9600 . ?
C12B H12E 0.9600 . ?
C13A H13F 0.9600 . ?
C13A H13G 0.9600 . ?
C13A H13H 0.9600 . ?
C12A H12F 0.9600 . ?
C12A H12G 0.9600 . ?
C12A H12H 0.9600 . ?

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
N7' Cu1 N7 169.48(19) . . ?
N7' Cu1 O1 88.91(16) . . ?
N7 Cu1 O1 82.03(16) . . ?
N7' Cu1 Cl2 90.09(14) . . ?
N7 Cu1 Cl2 91.41(13) . . ?
O1 Cu1 Cl2 128.66(11) . . ?
N7' Cu1 Cl1 92.37(14) . . ?
N7 Cu1 Cl1 93.86(14) . . ?
O1 Cu1 Cl1 95.96(11) . . ?
Cl2 Cu1 Cl1 135.36(6) . . ?
C8' N9' C4' 106.1(4) . . ?
C8' N9' C10' 127.9(5) . . ?
C4' N9' C10' 125.6(5) . . ?
C2' N3' C4' 110.4(4) . . ?
C2' N1' C6' 118.7(5) . . ?
C6 N6 C14 122.1(4) . . ?
C6 N6 H6 119.0 . . ?
C14 N6 H6 119.0 . . ?
C6' N6' C12 124.4(4) . . ?
C6' N6' H6' 117.8 . . ?
C12 N6' H6' 117.8 . . ?
C2 N1 C6 118.9(5) . . ?
C8 N7 C5 104.6(4) . . ?
C8 N7 Cu1 124.8(4) . . ?
C5 N7 Cu1 129.1(4) . . ?
C8 N9 C4 106.5(4) . . ?
C8 N9 C10 128.3(5) . . ?
C4 N9 C10 125.2(5) . . ?
C4 N3 C2 110.9(5) . . ?
C8' N7' C5' 105.1(4) . . ?
C8' N7' Cu1 122.9(4) . . ?
C5' N7' Cu1 129.9(4) . . ?
C14 C13 C12 112.4(5) . . ?
C14 C13 H13A 109.1 . . ?
C12 C13 H13A 109.1 . . ?
C14 C13 H13B 109.1 . . ?
C12 C13 H13B 109.1 . . ?
H13A C13 H13B 107.9 . . ?
C4' C5' C6' 116.4(5) . . ?
C4' C5' N7' 109.3(5) . . ?
C6' C5' N7' 134.4(5) . . ?
N3 C4 N9 126.0(5) . . ?
N3 C4 C5 128.2(5) . . ?
N9 C4 C5 105.8(5) . . ?
N6 C6 N1 119.1(5) . . ?
N6 C6 C5 123.0(5) . . ?
N1 C6 C5 117.9(5) . . ?
N6' C6' N1' 118.6(5) . . ?
N6' C6' C5' 123.7(5) . . ?
N1' C6' C5' 117.6(5) . . ?
N9 C10 C11 114.6(5) . . ?
N9 C10 H10A 108.6 . . ?
C11 C10 H10A 108.6 . . ?
N9 C10 H10B 108.6 . . ?
C11 C10 H10B 108.6 . . ?
H10A C10 H10B 107.6 . . ?
N6' C12 C13 112.7(4) . . ?
N6' C12 H12A 109.0 . . ?
C13 C12 H12A 109.0 . . ?
N6' C12 H12B 109.0 . . ?
C13 C12 H12B 109.0 . . ?
H12A C12 H12B 107.8 . . ?
N3' C4' N9' 125.9(5) . . ?
N3' C4' C5' 127.8(5) . . ?
N9' C4' C5' 106.3(4) . . ?
N6 C14 C13 111.7(4) . . ?
N6 C14 H14A 109.3 . . ?
C13 C14 H14A 109.3 . . ?
N6 C14 H14B 109.3 . . ?
C13 C14 H14B 109.3 . . ?
H14A C14 H14B 107.9 . . ?
N9' C10' C11' 112.6(5) . . ?
N9' C10' H10C 109.1 . . ?
C11' C10' H10C 109.1 . . ?
N9' C10' H10D 109.1 . . ?
C11' C10' H10D 109.1 . . ?
H10C C10' H10D 107.8 . . ?
N7 C5 C4 109.6(5) . . ?
N7 C5 C6 135.2(5) . . ?
C4 C5 C6 115.2(5) . . ?
N3' C2' N1' 129.0(5) . . ?
N3' C2' H2' 115.5 . . ?
N1' C2' H2' 115.5 . . ?
N7' C8' N9' 113.1(5) . . ?
N7' C8' H8' 123.4 . . ?
N9' C8' H8' 123.4 . . ?
N7 C8 N9 113.4(5) . . ?
N7 C8 H8 123.3 . . ?
N9 C8 H8 123.3 . . ?
N3 C2 N1 128.4(5) . . ?
N3 C2 H2 115.8 . . ?
N1 C2 H2 115.8 . . ?
C10' C11' C13A 120.0(7) . . ?
C10' C11' C13B 102.7(8) . . ?
C13A C11' C13B 113.0(9) . . ?
C16 O1 Cu1 118.3(3) . . ?
C15 O2 H2A 109.5 . . ?
O1 C16 H16A 109.5 . . ?
O1 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
O1 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O2 C15 H15A 109.5 . . ?
O2 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
O2 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C11' C13B H13C 109.5 . . ?
C11' C13B H13D 109.5 . . ?
H13C C13B H13D 109.5 . . ?
C11' C13B H13E 109.5 . . ?
H13C C13B H13E 109.5 . . ?
H13D C13B H13E 109.5 . . ?
C10 C11 C12B 107.0(8) . . ?
C10 C11 C12A 99.5(9) . . ?
C12B C11 C12A 103.6(10) . . ?
C11 C12B H12C 109.5 . . ?
C11 C12B H12D 109.5 . . ?
H12C C12B H12D 109.5 . . ?
C11 C12B H12E 109.5 . . ?
H12C C12B H12E 109.5 . . ?
H12D C12B H12E 109.5 . . ?
C11' C13A H13F 109.5 . . ?
C11' C13A H13G 109.5 . . ?
H13F C13A H13G 109.5 . . ?
C11' C13A H13H 109.5 . . ?
H13F C13A H13H 109.5 . . ?
H13G C13A H13H 109.5 . . ?
C11 C12A H12F 109.5 . . ?
C11 C12A H12G 109.5 . . ?
H12F C12A H12G 109.5 . . ?
C11 C12A H12H 109.5 . . ?
H12F C12A H12H 109.5 . . ?
H12G C12A H12H 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N7' Cu1 N7 C8 -138.0(9) . . . . ?
O1 Cu1 N7 C8 -107.3(4) . . . . ?
Cl2 Cu1 N7 C8 123.9(4) . . . . ?
Cl1 Cu1 N7 C8 -11.8(4) . . . . ?
N7' Cu1 N7 C5 25.5(12) . . . . ?
O1 Cu1 N7 C5 56.2(4) . . . . ?
Cl2 Cu1 N7 C5 -72.6(4) . . . . ?
Cl1 Cu1 N7 C5 151.7(4) . . . . ?
N7 Cu1 N7' C8' 161.9(8) . . . . ?
O1 Cu1 N7' C8' 131.5(4) . . . . ?
Cl2 Cu1 N7' C8' -99.9(4) . . . . ?
Cl1 Cu1 N7' C8' 35.5(4) . . . . ?
N7 Cu1 N7' C5' -37.3(12) . . . . ?
O1 Cu1 N7' C5' -67.7(5) . . . . ?
Cl2 Cu1 N7' C5' 61.0(5) . . . . ?
Cl1 Cu1 N7' C5' -163.6(5) . . . . ?
C8' N7' C5' C4' 1.1(6) . . . . ?
Cu1 N7' C5' C4' -162.4(4) . . . . ?
C8' N7' C5' C6' -177.2(6) . . . . ?
Cu1 N7' C5' C6' 19.4(9) . . . . ?
C2 N3 C4 N9 177.6(5) . . . . ?
C2 N3 C4 C5 -2.0(8) . . . . ?
C8 N9 C4 N3 -175.8(5) . . . . ?
C10 N9 C4 N3 5.5(9) . . . . ?
C8 N9 C4 C5 3.9(6) . . . . ?
C10 N9 C4 C5 -174.8(5) . . . . ?
C14 N6 C6 N1 -4.1(7) . . . . ?
C14 N6 C6 C5 177.4(5) . . . . ?
C2 N1 C6 N6 176.1(5) . . . . ?
C2 N1 C6 C5 -5.2(7) . . . . ?
C12 N6' C6' N1' 12.6(8) . . . . ?
C12 N6' C6' C5' -167.5(5) . . . . ?
C2' N1' C6' N6' 177.4(5) . . . . ?
C2' N1' C6' C5' -2.5(7) . . . . ?
C4' C5' C6' N6' -176.0(5) . . . . ?
N7' C5' C6' N6' 2.1(9) . . . . ?
C4' C5' C6' N1' 3.9(7) . . . . ?
N7' C5' C6' N1' -178.0(5) . . . . ?
C8 N9 C10 C11 101.0(8) . . . . ?
C4 N9 C10 C11 -80.6(8) . . . . ?
C6' N6' C12 C13 102.2(6) . . . . ?
C14 C13 C12 N6' 78.4(6) . . . . ?
C2' N3' C4' N9' 179.5(5) . . . . ?
C2' N3' C4' C5' -1.1(7) . . . . ?
C8' N9' C4' N3' -179.5(5) . . . . ?
C10' N9' C4' N3' -5.2(8) . . . . ?
C8' N9' C4' C5' 1.0(6) . . . . ?
C10' N9' C4' C5' 175.3(5) . . . . ?
C6' C5' C4' N3' -2.2(8) . . . . ?
N7' C5' C4' N3' 179.2(5) . . . . ?
C6' C5' C4' N9' 177.3(4) . . . . ?
N7' C5' C4' N9' -1.3(6) . . . . ?
C6 N6 C14 C13 166.4(5) . . . . ?
C12 C13 C14 N6 -62.7(6) . . . . ?
C8' N9' C10' C11' 81.9(7) . . . . ?
C4' N9' C10' C11' -91.1(7) . . . . ?
C8 N7 C5 C4 2.5(6) . . . . ?
Cu1 N7 C5 C4 -163.5(4) . . . . ?
C8 N7 C5 C6 -179.4(6) . . . . ?
Cu1 N7 C5 C6 14.5(9) . . . . ?
N3 C4 C5 N7 175.7(5) . . . . ?
N9 C4 C5 N7 -4.0(6) . . . . ?
N3 C4 C5 C6 -2.8(8) . . . . ?
N9 C4 C5 C6 177.5(4) . . . . ?
N6 C6 C5 N7 7.0(9) . . . . ?
N1 C6 C5 N7 -171.6(5) . . . . ?
N6 C6 C5 C4 -175.0(5) . . . . ?
N1 C6 C5 C4 6.4(7) . . . . ?
C4' N3' C2' N1' 2.9(8) . . . . ?
C6' N1' C2' N3' -1.2(9) . . . . ?
C5' N7' C8' N9' -0.4(6) . . . . ?
Cu1 N7' C8' N9' 164.5(3) . . . . ?
C4' N9' C8' N7' -0.4(6) . . . . ?
C10' N9' C8' N7' -174.5(5) . . . . ?
C5 N7 C8 N9 0.0(6) . . . . ?
Cu1 N7 C8 N9 166.9(4) . . . . ?
C4 N9 C8 N7 -2.5(6) . . . . ?
C10 N9 C8 N7 176.1(5) . . . . ?
C4 N3 C2 N1 3.7(8) . . . . ?
C6 N1 C2 N3 -0.1(9) . . . . ?
N9' C10' C11' C13A -48.8(11) . . . . ?
N9' C10' C11' C13B -175.0(6) . . . . ?
N7' Cu1 O1 C16 -40.0(4) . . . . ?
N7 Cu1 O1 C16 145.4(4) . . . . ?
Cl2 Cu1 O1 C16 -129.2(4) . . . . ?
Cl1 Cu1 O1 C16 52.3(4) . . . . ?
N9 C10 C11 C12B 172.6(8) . . . . ?
N9 C10 C11 C12A -80.0(10) . . . . ?

_diffrn_measured_fraction_theta_max 0.956
_diffrn_reflns_theta_full        28.30
_diffrn_measured_fraction_theta_full 0.956
_refine_diff_density_max         1.096
_refine_diff_density_min         -1.609
_refine_diff_density_rms         0.204


# Attachment 'Bisadenine silver complex_H added.cif'

data_Bisadenine_silver_complex
_database_code_depnum_ccdc_archive 'CCDC 684613'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            'Bisadenine silver complex'
_chemical_melting_point          ?
_chemical_formula_moiety         'C19 H32 N11 O6 Ag1'
_chemical_formula_sum            'C19 H26 Ag N11 O6'
_chemical_formula_weight         612.38

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   Ibca

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

_cell_length_a                   8.7535(14)
_cell_length_b                   13.673(2)
_cell_length_c                   43.743(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     5235.4(15)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      2.8
_cell_measurement_theta_max      23.4

_exptl_crystal_description       cubic
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.554
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2496
_exptl_absorpt_coefficient_mu    0.826
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_correction_T_min  0.8522
_exptl_absorpt_correction_T_max  0.8522
_exptl_absorpt_process_details   '(North et al., 1968)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area Detector'
_diffrn_measurement_method       'Phi-Omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10898
_diffrn_reflns_av_R_equivalents  0.0583
_diffrn_reflns_av_sigmaI/netI    0.0440
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -48
_diffrn_reflns_limit_l_max       48
_diffrn_reflns_theta_min         2.79
_diffrn_reflns_theta_max         23.35
_reflns_number_total             1903
_reflns_number_gt                1422
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART 5.628 (Bruker, 2003)'
_computing_cell_refinement       'SMART 5.628 (Bruker, 2003)'
_computing_data_reduction        'SAINT+ 6.45 (Bruker, 2003)'
_computing_structure_solution    Sir92
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'diamond 3.1d'
_computing_publication_material  ?

_refine_special_details          
;
PLAT306 ALERT 2 A Isolated Oxygen Atom (H-atoms Missing ?) ....... O4
No hydrogen atoms are found at geometrically idealized position
PLAT306 ALERT 2 A Isolated Oxygen Atom (H-atoms Missing ?) ....... O5
No hydrogen atoms are found at geometrically idealized position
PLAT306 ALERT 2 A Isolated Oxygen Atom (H-atoms Missing ?) ....... O6
No hydrogen atoms are found at geometrically idealized position

;

_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)+(0.1659P)²+8.7741P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         1903
_refine_ls_number_parameters     173
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0897
_refine_ls_R_factor_gt           0.0728
_refine_ls_wR_factor_ref         0.2372
_refine_ls_wR_factor_gt          0.2114
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      2.261
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.5000 0.2500 0.14162(4) 0.0527(11) Uani 1 2 d S . .
N6 N 0.5222(11) 0.4479(11) 0.1958(2) 0.040(3) Uani 1 1 d . . .
H6 H 0.5235 0.3861 0.1922 0.048 Uiso 1 1 calc R . .
N3 N 0.2561(14) 0.6255(10) 0.1395(2) 0.044(3) Uani 1 1 d . . .
N1 N 0.4365(12) 0.6020(10) 0.1807(2) 0.045(3) Uani 1 1 d . . .
N7 N 0.3321(13) 0.3685(10) 0.1431(2) 0.041(3) Uani 1 1 d . . .
N9 N 0.1872(12) 0.4705(10) 0.1153(2) 0.041(3) Uani 1 1 d . . .
C14 C 0.5104(18) 0.5000 0.2500 0.039(5) Uani 1 2 d S . .
H14A H 0.4454 0.4434 0.2531 0.046 Uiso 0.50 1 calc PR . .
H14B H 0.4454 0.5566 0.2469 0.046 Uiso 0.50 1 calc PR . .
C10 C 0.0904(15) 0.5022(13) 0.0900(3) 0.050(4) Uani 1 1 d . . .
H10A H 0.0357 0.5609 0.0960 0.060 Uiso 1 1 calc R . .
H10B H 0.0157 0.4518 0.0856 0.060 Uiso 1 1 calc R . .
O4 O 0.5000 0.2500 0.0802(6) 0.088(7) Uani 1 2 d S . .
C6 C 0.4395(14) 0.5046(12) 0.1771(3) 0.039(3) Uani 1 1 d . . .
C4 C 0.2646(14) 0.5277(13) 0.1364(3) 0.040(3) Uani 1 1 d . . .
C13 C 0.6103(14) 0.4843(13) 0.2218(3) 0.049(4) Uani 1 1 d . . .
H13A H 0.6585 0.5456 0.2162 0.059 Uiso 1 1 calc R . .
H13B H 0.6904 0.4378 0.2266 0.059 Uiso 1 1 calc R . .
C2 C 0.3468(15) 0.6555(12) 0.1622(3) 0.046(4) Uani 1 1 d . . .
H2 H 0.3481 0.7226 0.1657 0.055 Uiso 1 1 calc R . .
C8 C 0.2321(15) 0.3778(12) 0.1203(3) 0.044(4) Uani 1 1 d . . .
H8 H 0.1967 0.3250 0.1089 0.053 Uiso 1 1 calc R . .
C5 C 0.3502(13) 0.4641(11) 0.1529(3) 0.039(4) Uani 1 1 d . . .
C11 C 0.1832(19) 0.5227(16) 0.0618(3) 0.077(6) Uani 1 1 d . . .
H11A H 0.2515 0.4681 0.0580 0.092 Uiso 1 1 calc R . .
H11B H 0.2453 0.5805 0.0652 0.092 Uiso 1 1 calc R . .
O6 O 0.5000 0.2500 0.2154(6) 0.16(2) Uani 1 2 d S . .
C12 C 0.083(2) 0.539(2) 0.0340(4) 0.128(12) Uani 1 1 d . . .
H12A H 0.0403 0.4773 0.0277 0.191 Uiso 1 1 calc R . .
H12B H 0.1436 0.5654 0.0177 0.191 Uiso 1 1 calc R . .
H12C H 0.0025 0.5833 0.0391 0.191 Uiso 1 1 calc R . .
O5 O 0.5000 0.2500 0.2745(5) 0.35(5) Uani 1 2 d S . .
O1 O 0.0000 0.2500 0.0735(5) 0.116(10) Uani 1 2 d SRD . .
N2 N 0.0934 0.2603 0.0493(5) 0.099(15) Uani 0.50 1 d PRD . .
O3 O 0.2638 0.2760 0.0395(5) 0.24(4) Uani 0.50 1 d PRD . .
O2 O 0.0000 0.2500 0.0256(5) 0.26(3) Uani 1 2 d SRD . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N7 2.189(12) . ?
Ag1 N7 2.189(12) 2_655 ?
N6 C6 1.338(19) . ?
N6 C13 1.461(17) . ?
N6 H6 0.8600 . ?
N3 C2 1.335(18) . ?
N3 C4 1.35(2) . ?
N1 C6 1.341(19) . ?
N1 C2 1.344(18) . ?
N7 C8 1.334(17) . ?
N7 C5 1.386(19) . ?
N9 C8 1.345(18) . ?
N9 C4 1.387(19) . ?
N9 C10 1.457(17) . ?
C14 C13 1.528(15) . ?
C14 C13 1.528(15) 3_565 ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C10 C11 1.504(19) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C6 C5 1.427(19) . ?
C4 C5 1.36(2) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C2 H2 0.9300 . ?
C8 H8 0.9300 . ?
C11 C12 1.51(2) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
O1 N2 1.3449 2 ?
O1 N2 1.3449 . ?
N2 O2 1.3281 . ?
N2 O3 1.5677 . ?
N2 N2 1.6587 2 ?
O2 N2 1.3281 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
N7 Ag1 N7 176.7(5) . 2_655 ?
C6 N6 C13 124.3(14) . . ?
C6 N6 H6 117.9 . . ?
C13 N6 H6 117.9 . . ?
C2 N3 C4 110.4(13) . . ?
C6 N1 C2 118.8(13) . . ?
C8 N7 C5 102.6(12) . . ?
C8 N7 Ag1 119.3(10) . . ?
C5 N7 Ag1 129.1(9) . . ?
C8 N9 C4 106.3(11) . . ?
C8 N9 C10 125.0(13) . . ?
C4 N9 C10 128.3(14) . . ?
C13 C14 C13 110.2(13) . 3_565 ?
C13 C14 H14A 109.6 . . ?
C13 C14 H14A 109.6 3_565 . ?
C13 C14 H14B 109.6 . . ?
C13 C14 H14B 109.6 3_565 . ?
H14A C14 H14B 108.1 . . ?
N9 C10 C11 111.3(11) . . ?
N9 C10 H10A 109.4 . . ?
C11 C10 H10A 109.4 . . ?
N9 C10 H10B 109.4 . . ?
C11 C10 H10B 109.4 . . ?
H10A C10 H10B 108.0 . . ?
N6 C6 N1 121.0(13) . . ?
N6 C6 C5 121.6(15) . . ?
N1 C6 C5 117.4(13) . . ?
N3 C4 C5 127.7(13) . . ?
N3 C4 N9 126.9(12) . . ?
C5 C4 N9 105.3(14) . . ?
N6 C13 C14 112.0(10) . . ?
N6 C13 H13A 109.2 . . ?
C14 C13 H13A 109.2 . . ?
N6 C13 H13B 109.2 . . ?
C14 C13 H13B 109.2 . . ?
H13A C13 H13B 107.9 . . ?
N3 C2 N1 128.9(15) . . ?
N3 C2 H2 115.6 . . ?
N1 C2 H2 115.6 . . ?
N7 C8 N9 113.8(13) . . ?
N7 C8 H8 123.1 . . ?
N9 C8 H8 123.1 . . ?
C4 C5 N7 112.0(12) . . ?
C4 C5 C6 116.7(15) . . ?
N7 C5 C6 131.2(13) . . ?
C10 C11 C12 111.9(13) . . ?
C10 C11 H11A 109.2 . . ?
C12 C11 H11A 109.2 . . ?
C10 C11 H11B 109.2 . . ?
C12 C11 H11B 109.2 . . ?
H11A C11 H11B 107.9 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N2 O1 N2 76.1 2 . ?
O2 N2 O1 103.3 . . ?
O2 N2 O3 112.7 . . ?
O1 N2 O3 144.0 . . ?
O2 N2 N2 51.4 . 2 ?
O1 N2 N2 51.9 . 2 ?
O3 N2 N2 164.0 . 2 ?
N2 O2 N2 77.3 . 2 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N7 Ag1 N7 C8 -151.1(10) 2_655 . . . ?
N7 Ag1 N7 C5 67.9(10) 2_655 . . . ?
C8 N9 C10 C11 -85.7(19) . . . . ?
C4 N9 C10 C11 86.3(18) . . . . ?
C13 N6 C6 N1 2.2(19) . . . . ?
C13 N6 C6 C5 -177.1(11) . . . . ?
C2 N1 C6 N6 -177.2(11) . . . . ?
C2 N1 C6 C5 2.1(17) . . . . ?
C2 N3 C4 C5 -0.1(19) . . . . ?
C2 N3 C4 N9 -179.9(12) . . . . ?
C8 N9 C4 N3 179.2(13) . . . . ?
C10 N9 C4 N3 6(2) . . . . ?
C8 N9 C4 C5 -0.7(14) . . . . ?
C10 N9 C4 C5 -173.8(11) . . . . ?
C6 N6 C13 C14 81.8(16) . . . . ?
C13 C14 C13 N6 167.5(16) 3_565 . . . ?
C4 N3 C2 N1 -0.6(19) . . . . ?
C6 N1 C2 N3 0(2) . . . . ?
C5 N7 C8 N9 -0.1(14) . . . . ?
Ag1 N7 C8 N9 -150.1(9) . . . . ?
C4 N9 C8 N7 0.5(15) . . . . ?
C10 N9 C8 N7 173.9(11) . . . . ?
N3 C4 C5 N7 -179.2(13) . . . . ?
N9 C4 C5 N7 0.7(14) . . . . ?
N3 C4 C5 C6 2(2) . . . . ?
N9 C4 C5 C6 -178.5(10) . . . . ?
C8 N7 C5 C4 -0.4(14) . . . . ?
Ag1 N7 C5 C4 145.5(9) . . . . ?
C8 N7 C5 C6 178.6(13) . . . . ?
Ag1 N7 C5 C6 -35.5(18) . . . . ?
N6 C6 C5 C4 176.7(11) . . . . ?
N1 C6 C5 C4 -2.6(17) . . . . ?
N6 C6 C5 N7 -2(2) . . . . ?
N1 C6 C5 N7 178.4(12) . . . . ?
N9 C10 C11 C12 170.1(19) . . . . ?
N2 O1 N2 O2 0.0 2 . . . ?
N2 O1 N2 O3 -177.4 2 . . . ?
O1 N2 O2 N2 0.0 . . . 2 ?
O3 N2 O2 N2 178.3 . . . 2 ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        23.35
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.769
_refine_diff_density_min         -0.483
_refine_diff_density_rms         0.143

