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

data_global
_journal_name_full               CrystEngComm

_journal_coden_Cambridge         1350
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?
loop_
_publ_author_name
_publ_author_address
"Jorge L. Sague'"
;University of Geneva
Department of Inorganic, Analytical and Applied Chemistry
30, Quai Ernest-Ansermet
1211 Geneva 4
Switzerland
;
'Katharina Fromm'
;University of Basel
Department of Chemistry
Klingelbergstrasse 80
CH-4056. Basel
Switzerland
;
'Markus Meuwly' ''

_publ_contact_author_name        'Dr Jorge L Sague'
_publ_contact_author_email       JORGE.SAGUE@CHIAM.UNIGE.CH

_publ_section_title              
;
Counterion effect on the formation of coordination polymer networks
between AgNO3 and L (2,2'-oxybis(ethane-2,1-diyl) diisonicotinate). Part 2.
;
_publ_contact_author_address     
;University of Fribourg
Chemistry Department
Rue du Musee 9
CH-1700. Fribourg
Switzerland
;
_publ_contact_author_phone       '+41 26 300 87 36'

# Attachment 'CCDC_678543.cif'

data_Compound-1
_database_code_depnum_ccdc_archive 'CCDC 678543'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            L6AgNO3.H2O
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H40 Ag2 N6 O20'
_chemical_formula_weight         1044.44

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

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'

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

_cell_length_a                   13.668(3)
_cell_length_b                   7.3268(15)
_cell_length_c                   20.232(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.86(3)
_cell_angle_gamma                90.00
_cell_volume                     2018.7(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    386(2)
_cell_measurement_reflns_used    12538
_cell_measurement_theta_min      1.73
_cell_measurement_theta_max      27.04

_exptl_crystal_description       'Rod-like crystal'
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.718
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1056
_exptl_absorpt_coefficient_mu    1.058
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
Solvent used: Ethanol
Cooling Device: Oxford Cryosystems Cryostream 700
Crystal mount: glued on a glass fibre
Mosaicity (deg.):
Frames collected: 180
Seconds exposure per frame: 60
Degrees rotation per frame: 1
Crystal-Detector distance (mm): 160
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed X-ray tube,12x0.4 mm long-fine focus'
_diffrn_source_type              'STOE IPDS II'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean 6.67
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        0
_diffrn_source_voltage           50
_diffrn_source_current           40
_diffrn_source_power             2.00

_diffrn_reflns_number            12538
_diffrn_reflns_av_R_equivalents  0.0844
_diffrn_reflns_av_sigmaI/netI    0.0539
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.73
_diffrn_reflns_theta_max         27.04
_reflns_number_total             4277
_reflns_number_gt                3432
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_solution    'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'SHELXL97, SCHAKAL and PLATON (Spek, 2003)'

_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)+(0.0401P)²+2.4315P] 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         4277
_refine_ls_number_parameters     297
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0618
_refine_ls_R_factor_gt           0.0454
_refine_ls_wR_factor_ref         0.1125
_refine_ls_wR_factor_gt          0.1027
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_restrained_S_all      1.078
_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_symetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.03413(2) 0.29258(5) 0.025709(16) 0.04919(13) Uani 1 1 d . . .
N1 N -0.0901(2) 0.3321(4) 0.08606(16) 0.0387(6) Uani 1 1 d . . .
C1 C -0.1834(3) 0.3041(5) 0.06398(19) 0.0421(8) Uani 1 1 d . . .
H1 H -0.1971 0.2632 0.0207 0.050 Uiso 1 1 calc R . .
C2 C -0.2617(2) 0.3333(5) 0.10268(18) 0.0394(8) Uani 1 1 d . . .
H2 H -0.3261 0.3144 0.0854 0.047 Uiso 1 1 calc R . .
C3 C -0.2412(2) 0.3905(5) 0.16695(17) 0.0353(7) Uani 1 1 d . . .
C4 C -0.1448(3) 0.4163(6) 0.1906(2) 0.0475(9) Uani 1 1 d . . .
H4 H -0.1290 0.4526 0.2343 0.057 Uiso 1 1 calc R . .
C5 C -0.0720(3) 0.3874(6) 0.1487(2) 0.0478(9) Uani 1 1 d . . .
H5 H -0.0071 0.4075 0.1648 0.057 Uiso 1 1 calc R . .
C6 C -0.3212(3) 0.4277(6) 0.2120(2) 0.0452(9) Uani 1 1 d . . .
O1 O -0.3070(2) 0.4404(7) 0.27042(17) 0.0778(12) Uani 1 1 d . . .
O2 O -0.40735(17) 0.4467(4) 0.17783(15) 0.0522(7) Uani 1 1 d . . .
C7 C -0.4939(3) 0.4701(7) 0.2149(3) 0.0614(12) Uani 1 1 d . A .
H7A H -0.4763 0.5406 0.2547 0.074 Uiso 1 1 calc R . .
H7B H -0.5438 0.5371 0.1880 0.074 Uiso 1 1 calc R . .
C8 C -0.5330(4) 0.2947(8) 0.2330(3) 0.0782(18) Uani 1 1 d . . .
H8A H -0.5938 0.3122 0.2537 0.094 Uiso 0.727(9) 1 calc PR A 1
H8B H -0.4866 0.2335 0.2644 0.094 Uiso 0.727(9) 1 calc PR A 1
H8C H -0.5258 0.2963 0.2811 0.094 Uiso 0.273(9) 1 calc PR A 2
H8D H -0.6030 0.3067 0.2211 0.094 Uiso 0.273(9) 1 calc PR A 2
O3A O -0.5515(3) 0.1816(6) 0.1721(2) 0.0547(15) Uani 0.727(9) 1 d P A 1
O3B O -0.5155(6) 0.1326(13) 0.2189(5) 0.035(3) Uani 0.273(9) 1 d P A 2
C9 C -0.5883(3) 0.0146(8) 0.1830(3) 0.0718(14) Uani 1 1 d . . .
H9A H -0.6545 0.0259 0.1965 0.086 Uiso 0.727(9) 1 calc PR A 1
H9B H -0.5483 -0.0458 0.2184 0.086 Uiso 0.727(9) 1 calc PR A 1
H9C H -0.6049 -0.0732 0.2162 0.086 Uiso 0.273(9) 1 calc PR A 2
H9D H -0.6456 0.0923 0.1756 0.086 Uiso 0.273(9) 1 calc PR A 2
C10 C -0.5894(3) -0.0877(7) 0.1255(3) 0.0625(13) Uani 1 1 d . A .
H10A H -0.6231 -0.0209 0.0890 0.075 Uiso 1 1 calc R . .
H10B H -0.6244 -0.2011 0.1310 0.075 Uiso 1 1 calc R . .
O4 O -0.48899(18) -0.1268(5) 0.11066(16) 0.0541(7) Uani 1 1 d . . .
O5 O -0.5468(2) -0.2484(7) 0.0153(2) 0.0869(13) Uani 1 1 d . . .
C11 C -0.4795(3) -0.2050(6) 0.0532(2) 0.0473(9) Uani 1 1 d . A .
N2 N -0.1821(2) -0.2745(4) 0.00640(15) 0.0399(7) Uani 1 1 d . . .
C12 C -0.2021(2) -0.1910(5) 0.06209(19) 0.0401(8) Uani 1 1 d . . .
H12 H -0.1499 -0.1466 0.0900 0.048 Uiso 1 1 calc R . .
C13 C -0.2965(3) -0.1667(5) 0.08063(19) 0.0402(8) Uani 1 1 d . A .
H13 H -0.3071 -0.1081 0.1202 0.048 Uiso 1 1 calc R . .
C14 C -0.3737(2) -0.2305(5) 0.03979(18) 0.0372(7) Uani 1 1 d . . .
C15 C -0.3542(3) -0.3212(6) -0.0177(2) 0.0498(10) Uani 1 1 d . A .
H15 H -0.4050 -0.3691 -0.0460 0.060 Uiso 1 1 calc R . .
C16 C -0.2578(3) -0.3389(6) -0.0320(2) 0.0505(10) Uani 1 1 d . . .
H16 H -0.2451 -0.3994 -0.0708 0.061 Uiso 1 1 calc R A .
N3 N -0.1001(2) 0.1561(5) -0.09768(17) 0.0451(7) Uani 1 1 d . . .
O6 O -0.0930(3) 0.3208(5) -0.0865(2) 0.0736(10) Uani 1 1 d . . .
O7 O -0.0321(3) 0.0545(6) -0.0792(3) 0.0931(14) Uani 1 1 d . . .
O8 O -0.1750(2) 0.0933(6) -0.1267(2) 0.0808(11) Uani 1 1 d . . .
O9 O -0.2634(2) 0.4333(6) -0.18703(18) 0.0568(8) Uani 1 1 d . . .
H9E H -0.226(4) 0.362(9) -0.168(3) 0.073(18) Uiso 1 1 d . . .
H9F H -0.227(4) 0.522(8) -0.189(3) 0.066(17) Uiso 1 1 d . . .
O10 O -0.1626(3) -0.2388(5) -0.1980(2) 0.0599(8) Uani 1 1 d . . .
H10E H -0.170(6) -0.157(13) -0.163(5) 0.14(3) Uiso 1 1 d . . .
H10F H -0.193(5) -0.194(10) -0.223(3) 0.09(2) Uiso 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.181(3) 3 ?
Ag1 N1 2.193(3) . ?
Ag1 Ag1 3.3206(9) 3_565 ?
N1 C1 1.331(5) . ?
N1 C5 1.333(5) . ?
C1 C2 1.394(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.372(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.377(5) . ?
C3 C6 1.506(5) . ?
C4 C5 1.378(5) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 O1 1.186(5) . ?
C6 O2 1.321(5) . ?
O2 C7 1.463(4) . ?
C7 C8 1.450(7) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 O3B 1.250(11) . ?
C8 O3A 1.487(8) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 H8C 0.9700 . ?
C8 H8D 0.9700 . ?
O3A C9 1.349(7) . ?
O3B C9 1.464(11) . ?
C9 C10 1.384(7) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 H9C 0.9700 . ?
C9 H9D 0.9700 . ?
C10 O4 1.458(4) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
O4 C11 1.312(5) . ?
O5 C11 1.189(5) . ?
C11 C14 1.506(5) . ?
N2 C16 1.327(5) . ?
N2 C12 1.330(5) . ?
N2 Ag1 2.181(3) 3 ?
C12 C13 1.385(5) . ?
C12 H12 0.9300 . ?
C13 C14 1.366(5) . ?
C13 H13 0.9300 . ?
C14 C15 1.384(5) . ?
C15 C16 1.379(5) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
N3 O7 1.225(5) . ?
N3 O8 1.226(5) . ?
N3 O6 1.230(5) . ?
O9 H9E 0.81(6) . ?
O9 H9F 0.82(6) . ?
O10 H10E 0.94(10) . ?
O10 H10F 0.71(7) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N1 162.86(12) 3 . ?
N2 Ag1 Ag1 101.86(9) 3 3_565 ?
N1 Ag1 Ag1 80.99(8) . 3_565 ?
C1 N1 C5 117.5(3) . . ?
C1 N1 Ag1 123.9(3) . . ?
C5 N1 Ag1 118.6(2) . . ?
N1 C1 C2 123.1(4) . . ?
N1 C1 H1 118.4 . . ?
C2 C1 H1 118.4 . . ?
C3 C2 C1 118.3(3) . . ?
C3 C2 H2 120.8 . . ?
C1 C2 H2 120.8 . . ?
C2 C3 C4 118.9(3) . . ?
C2 C3 C6 121.9(3) . . ?
C4 C3 C6 119.2(3) . . ?
C3 C4 C5 119.0(4) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 H4 120.5 . . ?
N1 C5 C4 123.1(3) . . ?
N1 C5 H5 118.4 . . ?
C4 C5 H5 118.4 . . ?
O1 C6 O2 125.2(4) . . ?
O1 C6 C3 123.5(4) . . ?
O2 C6 C3 111.3(3) . . ?
C6 O2 C7 117.9(4) . . ?
C8 C7 O2 110.9(4) . . ?
C8 C7 H7A 109.5 . . ?
O2 C7 H7A 109.5 . . ?
C8 C7 H7B 109.5 . . ?
O2 C7 H7B 109.5 . . ?
H7A C7 H7B 108.0 . . ?
O3B C8 C7 134.6(5) . . ?
O3B C8 O3A 45.9(5) . . ?
C7 C8 O3A 109.0(5) . . ?
O3B C8 H8A 114.3 . . ?
C7 C8 H8A 109.9 . . ?
O3A C8 H8A 109.9 . . ?
O3B C8 H8B 65.3 . . ?
C7 C8 H8B 109.9 . . ?
O3A C8 H8B 109.9 . . ?
H8A C8 H8B 108.3 . . ?
O3B C8 H8C 103.5 . . ?
C7 C8 H8C 103.5 . . ?
O3A C8 H8C 146.4 . . ?
H8A C8 H8C 65.4 . . ?
H8B C8 H8C 48.8 . . ?
O3B C8 H8D 103.5 . . ?
C7 C8 H8D 103.5 . . ?
O3A C8 H8D 75.6 . . ?
H8A C8 H8D 40.0 . . ?
H8B C8 H8D 141.4 . . ?
H8C C8 H8D 105.3 . . ?
C9 O3A C8 114.2(4) . . ?
C8 O3B C9 122.6(7) . . ?
O3A C9 C10 109.4(5) . . ?
O3A C9 O3B 45.4(4) . . ?
C10 C9 O3B 134.1(5) . . ?
O3A C9 H9A 109.8 . . ?
C10 C9 H9A 109.8 . . ?
O3B C9 H9A 114.9 . . ?
O3A C9 H9B 109.8 . . ?
C10 C9 H9B 109.8 . . ?
O3B C9 H9B 65.5 . . ?
H9A C9 H9B 108.2 . . ?
O3A C9 H9C 145.8 . . ?
C10 C9 H9C 103.7 . . ?
O3B C9 H9C 103.7 . . ?
H9A C9 H9C 65.5 . . ?
H9B C9 H9C 48.5 . . ?
O3A C9 H9D 75.5 . . ?
C10 C9 H9D 103.7 . . ?
O3B C9 H9D 103.7 . . ?
H9A C9 H9D 40.0 . . ?
H9B C9 H9D 141.3 . . ?
H9C C9 H9D 105.3 . . ?
C9 C10 O4 109.7(4) . . ?
C9 C10 H10A 109.7 . . ?
O4 C10 H10A 109.7 . . ?
C9 C10 H10B 109.7 . . ?
O4 C10 H10B 109.7 . . ?
H10A C10 H10B 108.2 . . ?
C11 O4 C10 115.7(4) . . ?
O5 C11 O4 124.0(4) . . ?
O5 C11 C14 123.5(4) . . ?
O4 C11 C14 112.5(3) . . ?
C16 N2 C12 117.0(3) . . ?
C16 N2 Ag1 120.0(2) . 3 ?
C12 N2 Ag1 122.8(3) . 3 ?
N2 C12 C13 123.4(3) . . ?
N2 C12 H12 118.3 . . ?
C13 C12 H12 118.3 . . ?
C14 C13 C12 118.8(3) . . ?
C14 C13 H13 120.6 . . ?
C12 C13 H13 120.6 . . ?
C13 C14 C15 118.6(3) . . ?
C13 C14 C11 123.6(4) . . ?
C15 C14 C11 117.8(4) . . ?
C16 C15 C14 118.5(4) . . ?
C16 C15 H15 120.8 . . ?
C14 C15 H15 120.8 . . ?
N2 C16 C15 123.7(4) . . ?
N2 C16 H16 118.2 . . ?
C15 C16 H16 118.2 . . ?
O7 N3 O8 120.0(4) . . ?
O7 N3 O6 119.6(4) . . ?
O8 N3 O6 120.4(4) . . ?
H9E O9 H9F 100(5) . . ?
H10E O10 H10F 98(7) . . ?

_diffrn_measured_fraction_theta_max 0.966
_diffrn_reflns_theta_full        27.04
_diffrn_measured_fraction_theta_full 0.966
_refine_diff_density_max         0.477
_refine_diff_density_min         -0.385
_refine_diff_density_rms         0.076
_chemical_compound_source        'L6 and AgNO3 in Water/THF'
_exptl_crystal_recrystallization_method 'Solvent diffusion'

# Attachment 'CCDC_678545.cif'

data_Compound-3
_database_code_depnum_ccdc_archive 'CCDC 678544'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            L6AgNO3
_chemical_melting_point          194
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H32 Ag2 N6 O16'
_chemical_formula_weight         972.38

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           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'

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

_cell_length_a                   6.9203(14)
_cell_length_b                   12.156(2)
_cell_length_c                   12.332(3)
_cell_angle_alpha                63.18(3)
_cell_angle_beta                 87.13(3)
_cell_angle_gamma                79.87(3)
_cell_volume                     910.9(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    386(2)
_cell_measurement_reflns_used    13141
_cell_measurement_theta_min      3.35
_cell_measurement_theta_max      26.87

_exptl_crystal_description       'Rod-like crystal'
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.773
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             488
_exptl_absorpt_coefficient_mu    1.158
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed X-ray tube,12x0.4 mm long-fine focus'
_diffrn_source_type              'STOE IPDS II'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean 6.67
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        0
_diffrn_source_voltage           50
_diffrn_source_current           40
_diffrn_source_power             2.00

_diffrn_reflns_number            4389
_diffrn_reflns_av_R_equivalents  0.0446
_diffrn_reflns_av_sigmaI/netI    0.0232
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.35
_diffrn_reflns_theta_max         26.87
_reflns_number_total             3074
_reflns_number_gt                2870
_reflns_threshold_expression     'I > 2σ(I)'

_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_solution    'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'SHELXL97, SCHAKAL and PLATON (Spek, 2003)'

_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)+(0.0432P)²+0.7474P] 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         3074
_refine_ls_number_parameters     263
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0423
_refine_ls_R_factor_gt           0.0386
_refine_ls_wR_factor_ref         0.0985
_refine_ls_wR_factor_gt          0.0953
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_restrained_S_all      1.066
_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_symetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.24274(4) 0.48242(2) 0.037879(19) 0.05434(15) Uani 1 1 d . . .
N1 N 0.2674(4) 0.4230(2) 0.2334(2) 0.0400(5) Uani 1 1 d . . .
C1 C 0.2576(4) 0.3059(3) 0.3175(3) 0.0379(5) Uani 1 1 d . . .
H1 H 0.2519 0.2455 0.2917 0.045 Uiso 1 1 calc R . .
C2 C 0.2558(4) 0.2714(2) 0.4403(2) 0.0370(5) Uani 1 1 d . . .
H2 H 0.2485 0.1894 0.4960 0.044 Uiso 1 1 calc R . .
C3 C 0.2648(4) 0.3605(3) 0.4797(3) 0.0377(5) Uani 1 1 d . . .
C4 C 0.2794(6) 0.4804(3) 0.3936(3) 0.0532(8) Uani 1 1 d . . .
H4 H 0.2881 0.5421 0.4172 0.064 Uiso 1 1 calc R . .
C5 C 0.2810(6) 0.5075(3) 0.2728(3) 0.0520(8) Uani 1 1 d . . .
H5 H 0.2920 0.5884 0.2157 0.062 Uiso 1 1 calc R . .
C6 C 0.2586(5) 0.3311(3) 0.6110(3) 0.0472(7) Uani 1 1 d . . .
O1 O 0.2565(8) 0.4087(3) 0.6456(3) 0.0992(14) Uani 1 1 d . . .
O2 O 0.2542(4) 0.2121(2) 0.68272(19) 0.0491(5) Uani 1 1 d . . .
C7 C 0.2255(6) 0.1736(4) 0.8119(3) 0.0578(8) Uani 1 1 d . A .
H7A H 0.3197 0.0990 0.8593 0.069 Uiso 1 1 calc R . .
H7B H 0.2475 0.2393 0.8315 0.069 Uiso 1 1 calc R . .
C8 C 0.0307(8) 0.1487(6) 0.8424(4) 0.0840(15) Uani 1 1 d . . .
H8A H 0.0252 0.1092 0.9304 0.101 Uiso 0.681(8) 1 calc PR A 1
H8B H -0.0572 0.2287 0.8126 0.101 Uiso 0.681(8) 1 calc PR A 1
H8C H 0.0406 0.0592 0.8720 0.101 Uiso 0.319(8) 1 calc PR A 2
H8D H -0.0002 0.1648 0.9121 0.101 Uiso 0.319(8) 1 calc PR A 2
O3A O -0.0405(5) 0.0796(3) 0.8037(3) 0.0529(11) Uani 0.681(8) 1 d P A 1
O3B O -0.1145(10) 0.1954(5) 0.7767(6) 0.040(2) Uani 0.319(8) 1 d P A 2
C9 C -0.2556(7) 0.1018(6) 0.7994(4) 0.0782(14) Uani 1 1 d . . .
H9A H -0.3099 0.1904 0.7643 0.094 Uiso 0.681(8) 1 calc PR A 1
H9B H -0.3083 0.0589 0.8792 0.094 Uiso 0.681(8) 1 calc PR A 1
H9C H -0.2149 0.0317 0.8779 0.094 Uiso 0.319(8) 1 calc PR A 2
H9D H -0.3837 0.1425 0.8101 0.094 Uiso 0.319(8) 1 calc PR A 2
C10 C -0.2894(6) 0.0469(3) 0.7195(3) 0.0592(8) Uani 1 1 d . A .
H10A H -0.1954 -0.0294 0.7397 0.071 Uiso 1 1 calc R . .
H10B H -0.4205 0.0264 0.7299 0.071 Uiso 1 1 calc R . .
O4 O -0.2677(4) 0.1369(2) 0.59456(19) 0.0498(5) Uani 1 1 d . . .
O5 O -0.2434(7) -0.0128(2) 0.5373(2) 0.0911(14) Uani 1 1 d . . .
C11 C -0.2474(5) 0.0946(3) 0.5129(3) 0.0438(6) Uani 1 1 d . A .
N2 N -0.2012(4) 0.3734(2) 0.1496(2) 0.0397(5) Uani 1 1 d . . .
C16 C -0.1870(5) 0.2515(3) 0.1770(3) 0.0447(6) Uani 1 1 d . . .
H16 H -0.1667 0.2283 0.1145 0.054 Uiso 1 1 calc R . .
C15 C -0.2013(5) 0.1604(3) 0.2930(3) 0.0430(6) Uani 1 1 d . A .
H15 H -0.1924 0.0774 0.3082 0.052 Uiso 1 1 calc R . .
C14 C -0.2293(4) 0.1932(2) 0.3876(2) 0.0341(5) Uani 1 1 d . . .
C13 C -0.2398(4) 0.3182(2) 0.3605(2) 0.0349(5) Uani 1 1 d . A .
H13 H -0.2556 0.3433 0.4218 0.042 Uiso 1 1 calc R . .
C12 C -0.2265(4) 0.4041(2) 0.2417(3) 0.0375(5) Uani 1 1 d . . .
H12 H -0.2354 0.4877 0.2242 0.045 Uiso 1 1 calc R A .
N3 N 0.4273(5) 0.2415(3) 0.0263(2) 0.0486(6) Uani 1 1 d . . .
O6 O 0.2639(5) 0.2490(3) 0.0711(3) 0.0787(9) Uani 1 1 d . . .
O7 O 0.4927(5) 0.3395(3) -0.0352(3) 0.0710(7) Uani 1 1 d . . .
O8 O 0.5227(6) 0.1392(3) 0.0438(3) 0.0803(9) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.175(3) 2_565 ?
Ag1 N1 2.189(2) . ?
N1 C5 1.338(4) . ?
N1 C1 1.342(4) . ?
C1 C2 1.378(4) . ?
C1 H1 0.9300 . ?
C2 C3 1.383(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.380(4) . ?
C3 C6 1.493(4) . ?
C4 C5 1.373(5) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 O1 1.195(4) . ?
C6 O2 1.317(4) . ?
O2 C7 1.458(4) . ?
C7 C8 1.429(6) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 O3B 1.206(9) . ?
C8 O3A 1.307(6) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 H8C 0.9700 . ?
C8 H8D 0.9700 . ?
O3A C9 1.464(6) . ?
O3B C9 1.549(8) . ?
C9 C10 1.464(6) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 H9C 0.9700 . ?
C9 H9D 0.9700 . ?
C10 O4 1.451(4) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
O4 C11 1.313(4) . ?
O5 C11 1.195(4) . ?
C11 C14 1.484(4) . ?
N2 C12 1.342(4) . ?
N2 C16 1.349(4) . ?
N2 Ag1 2.175(3) 2_565 ?
C16 C15 1.370(4) . ?
C16 H16 0.9300 . ?
C15 C14 1.389(4) . ?
C15 H15 0.9300 . ?
C14 C13 1.390(3) . ?
C13 C12 1.373(4) . ?
C13 H13 0.9300 . ?
C12 H12 0.9300 . ?
N3 O8 1.230(4) . ?
N3 O6 1.240(4) . ?
N3 O7 1.241(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N1 151.76(9) 2_565 . ?
C5 N1 C1 117.5(2) . . ?
C5 N1 Ag1 119.42(18) . . ?
C1 N1 Ag1 122.95(18) . . ?
N1 C1 C2 122.8(2) . . ?
N1 C1 H1 118.6 . . ?
C2 C1 H1 118.6 . . ?
C1 C2 C3 119.1(2) . . ?
C1 C2 H2 120.5 . . ?
C3 C2 H2 120.5 . . ?
C4 C3 C2 118.3(2) . . ?
C4 C3 C6 119.5(2) . . ?
C2 C3 C6 122.2(2) . . ?
C5 C4 C3 119.3(3) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
N1 C5 C4 123.0(3) . . ?
N1 C5 H5 118.5 . . ?
C4 C5 H5 118.5 . . ?
O1 C6 O2 124.5(3) . . ?
O1 C6 C3 122.8(3) . . ?
O2 C6 C3 112.7(2) . . ?
C6 O2 C7 118.2(2) . . ?
C8 C7 O2 110.3(3) . . ?
C8 C7 H7A 109.6 . . ?
O2 C7 H7A 109.6 . . ?
C8 C7 H7B 109.6 . . ?
O2 C7 H7B 109.6 . . ?
H7A C7 H7B 108.1 . . ?
O3B C8 O3A 62.3(4) . . ?
O3B C8 C7 127.1(5) . . ?
O3A C8 C7 119.2(4) . . ?
O3B C8 H8A 122.7 . . ?
O3A C8 H8A 107.5 . . ?
C7 C8 H8A 107.5 . . ?
O3B C8 H8B 45.4 . . ?
O3A C8 H8B 107.5 . . ?
C7 C8 H8B 107.5 . . ?
H8A C8 H8B 107.0 . . ?
O3B C8 H8C 105.5 . . ?
O3A C8 H8C 46.3 . . ?
C7 C8 H8C 105.5 . . ?
H8A C8 H8C 70.8 . . ?
H8B C8 H8C 145.7 . . ?
O3B C8 H8D 105.5 . . ?
O3A C8 H8D 131.4 . . ?
C7 C8 H8D 105.5 . . ?
H8A C8 H8D 36.2 . . ?
H8B C8 H8D 73.5 . . ?
H8C C8 H8D 106.1 . . ?
C8 O3A C9 112.3(4) . . ?
C8 O3B C9 112.8(5) . . ?
O3A C9 C10 99.5(4) . . ?
O3A C9 O3B 51.1(3) . . ?
C10 C9 O3B 126.2(4) . . ?
O3A C9 H9A 111.9 . . ?
C10 C9 H9A 111.9 . . ?
O3B C9 H9A 61.7 . . ?
O3A C9 H9B 111.9 . . ?
C10 C9 H9B 111.9 . . ?
O3B C9 H9B 120.5 . . ?
H9A C9 H9B 109.6 . . ?
O3A C9 H9C 73.7 . . ?
C10 C9 H9C 105.8 . . ?
O3B C9 H9C 105.8 . . ?
H9A C9 H9C 140.0 . . ?
H9B C9 H9C 40.7 . . ?
O3A C9 H9D 153.5 . . ?
C10 C9 H9D 105.8 . . ?
O3B C9 H9D 105.8 . . ?
H9A C9 H9D 50.9 . . ?
H9B C9 H9D 65.7 . . ?
H9C C9 H9D 106.2 . . ?
O4 C10 C9 108.6(3) . . ?
O4 C10 H10A 110.0 . . ?
C9 C10 H10A 110.0 . . ?
O4 C10 H10B 110.0 . . ?
C9 C10 H10B 110.0 . . ?
H10A C10 H10B 108.3 . . ?
C11 O4 C10 117.0(3) . . ?
O5 C11 O4 123.3(3) . . ?
O5 C11 C14 123.4(3) . . ?
O4 C11 C14 113.4(2) . . ?
C12 N2 C16 117.4(3) . . ?
C12 N2 Ag1 120.50(18) . 2_565 ?
C16 N2 Ag1 120.87(19) . 2_565 ?
N2 C16 C15 122.8(3) . . ?
N2 C16 H16 118.6 . . ?
C15 C16 H16 118.6 . . ?
C16 C15 C14 119.3(2) . . ?
C16 C15 H15 120.3 . . ?
C14 C15 H15 120.3 . . ?
C15 C14 C13 118.2(3) . . ?
C15 C14 C11 119.2(2) . . ?
C13 C14 C11 122.6(2) . . ?
C12 C13 C14 118.9(2) . . ?
C12 C13 H13 120.5 . . ?
C14 C13 H13 120.5 . . ?
N2 C12 C13 123.3(2) . . ?
N2 C12 H12 118.4 . . ?
C13 C12 H12 118.4 . . ?
O8 N3 O6 120.7(3) . . ?
O8 N3 O7 121.0(3) . . ?
O6 N3 O7 118.3(3) . . ?

_diffrn_measured_fraction_theta_max 0.782
_diffrn_reflns_theta_full        26.87
_diffrn_measured_fraction_theta_full 0.782
_refine_diff_density_max         0.421
_refine_diff_density_min         -0.501
_refine_diff_density_rms         0.045
_chemical_compound_source        'L6 and AgNO3 in THF/Water'
_exptl_crystal_recrystallization_method 'Solvent diffusion'


# Attachment 'CCDC_678544.cif'

data_Compound-2
_database_code_depnum_ccdc_archive 'CCDC 678545'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            L6AgNO3
_chemical_melting_point          210
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H32 Ag2 N6 O16'
_chemical_formula_weight         972.38

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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'

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

_cell_length_a                   6.6811(13)
_cell_length_b                   12.263(3)
_cell_length_c                   22.585(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.74(3)
_cell_angle_gamma                90.00
_cell_volume                     1844.1(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    386(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      1.81
_cell_measurement_theta_max      27.15

_exptl_crystal_description       'Rod-like crystal'
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.751
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             976
_exptl_absorpt_coefficient_mu    1.144
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed X-ray tube,12x0.4 mm long-fine focus'
_diffrn_source_type              'STOE IPDS II'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean 6.67
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        0
_diffrn_source_voltage           50
_diffrn_source_current           40
_diffrn_source_power             2.00

_diffrn_reflns_number            13141
_diffrn_reflns_av_R_equivalents  0.2612
_diffrn_reflns_av_sigmaI/netI    0.2127
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.81
_diffrn_reflns_theta_max         27.15
_reflns_number_total             3804
_reflns_number_gt                1360
_reflns_threshold_expression     'I > 2σ(I)'

_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_solution    'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'SHELXL97, SCHAKAL and PLATON (Spek, 2003)'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0581P)²+11.1621P] 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         3804
_refine_ls_number_parameters     239
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.2719
_refine_ls_R_factor_gt           0.1237
_refine_ls_wR_factor_ref         0.2764
_refine_ls_wR_factor_gt          0.2162
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.004
_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_symetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.2453(3) 0.51040(13) 0.00742(5) 0.0780(6) Uani 1 1 d . . .
N1 N -0.1427(16) 0.5534(8) 0.0990(3) 0.056(4) Uani 1 1 d G . .
C1 C -0.1022(17) 0.4739(7) 0.1422(4) 0.056(5) Uani 1 1 d G . .
H1 H -0.1089 0.4005 0.1319 0.068 Uiso 1 1 calc R . .
C2 C -0.0516(17) 0.5042(7) 0.2009(3) 0.057(4) Uani 1 1 d G . .
H2 H -0.0245 0.4510 0.2298 0.068 Uiso 1 1 calc R . .
C3 C -0.0416(17) 0.6139(8) 0.2163(3) 0.053(4) Uani 1 1 d G . .
C4 C -0.0821(18) 0.6934(6) 0.1730(4) 0.056(5) Uani 1 1 d G . .
H4 H -0.0754 0.7668 0.1834 0.067 Uiso 1 1 calc R . .
C5 C -0.1326(17) 0.6631(8) 0.1144(4) 0.067(5) Uani 1 1 d G . .
H5 H -0.1597 0.7163 0.0855 0.080 Uiso 1 1 calc R . .
C6 C 0.005(3) 0.6507(16) 0.2808(7) 0.060(5) Uani 1 1 d . . .
O1 O 0.033(2) 0.7419(11) 0.2921(5) 0.084(4) Uani 1 1 d . . .
O2 O 0.016(2) 0.5648(10) 0.3168(4) 0.081(4) Uani 1 1 d . . .
C7 C 0.079(5) 0.594(2) 0.3788(8) 0.123(11) Uani 1 1 d . A .
H7A H 0.1764 0.6529 0.3799 0.147 Uiso 1 1 calc R . .
H7B H -0.0363 0.6188 0.3988 0.147 Uiso 1 1 calc R . .
C8 C 0.161(4) 0.504(3) 0.4065(8) 0.124(10) Uani 1 1 d . . .
H8A H 0.2423 0.5307 0.4411 0.149 Uiso 0.69(3) 1 calc PR A 1
H8B H 0.0501 0.4647 0.4216 0.149 Uiso 0.69(3) 1 calc PR A 1
H8C H 0.1094 0.4355 0.3899 0.149 Uiso 0.31(3) 1 calc PR A 2
H8D H 0.1581 0.5048 0.4494 0.149 Uiso 0.31(3) 1 calc PR A 2
O3A O 0.275(3) 0.4270(19) 0.3824(7) 0.084(7) Uani 0.69(3) 1 d PU A 1
O3B O 0.380(8) 0.539(4) 0.3836(15) 0.086(15) Uani 0.31(3) 1 d PU A 2
C9 C 0.495(5) 0.453(2) 0.3928(9) 0.121(9) Uani 1 1 d U . .
H9A H 0.5262 0.5243 0.3780 0.145 Uiso 0.69(3) 1 calc PR A 1
H9B H 0.5418 0.4473 0.4345 0.145 Uiso 0.69(3) 1 calc PR A 1
H9C H 0.4269 0.4122 0.4222 0.145 Uiso 0.31(3) 1 calc PR A 2
H9D H 0.6138 0.4825 0.4145 0.145 Uiso 0.31(3) 1 calc PR A 2
C10 C 0.574(4) 0.370(2) 0.3594(7) 0.098(7) Uani 1 1 d U A .
H10A H 0.5098 0.3010 0.3673 0.118 Uiso 1 1 calc R . .
H10B H 0.7169 0.3626 0.3701 0.118 Uiso 1 1 calc R . .
O4 O 0.538(2) 0.3975(10) 0.2961(5) 0.086(5) Uani 1 1 d . . .
O5 O 0.525(2) 0.2259(12) 0.2677(6) 0.092(5) Uani 1 1 d . . .
C11 C 0.518(3) 0.3210(15) 0.2566(8) 0.056(5) Uani 1 1 d . A .
N2 N 0.3617(18) 0.4379(9) 0.0815(3) 0.070(5) Uani 1 1 d G . .
C12 C 0.3889(17) 0.5116(7) 0.1282(4) 0.052(4) Uani 1 1 d G . .
H12 H 0.3749 0.5860 0.1209 0.063 Uiso 1 1 calc R . .
C13 C 0.4368(17) 0.4742(7) 0.1857(3) 0.050(4) Uani 1 1 d G A .
H13 H 0.4550 0.5236 0.2169 0.060 Uiso 1 1 calc R . .
C14 C 0.4577(17) 0.3631(8) 0.1965(3) 0.050(4) Uani 1 1 d G . .
C15 C 0.431(2) 0.2893(6) 0.1498(4) 0.072(6) Uani 1 1 d G A .
H15 H 0.4445 0.2149 0.1570 0.086 Uiso 1 1 calc R . .
C16 C 0.383(2) 0.3267(8) 0.0923(4) 0.078(6) Uani 1 1 d G . .
H16 H 0.3644 0.2773 0.0610 0.094 Uiso 1 1 calc R A .
N3 N -0.187(3) 0.2625(15) -0.0089(6) 0.084(7) Uani 1 1 d . . .
O6 O -0.069(3) 0.3246(13) 0.0230(6) 0.100(5) Uani 1 1 d . . .
O7 O -0.352(3) 0.3028(13) -0.0273(6) 0.104(6) Uani 1 1 d . . .
O8 O -0.132(3) 0.1710(13) -0.0194(6) 0.123(7) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.186(6) 3_565 ?
Ag1 N1 2.189(6) . ?
Ag1 O6 2.576(16) . ?
Ag1 Ag1 3.332(3) 3_565 ?
N1 C1 1.3900 . ?
N1 C5 1.3900 . ?
C1 C2 1.3900 . ?
C1 H1 0.9300 . ?
C2 C3 1.3900 . ?
C2 H2 0.9300 . ?
C3 C4 1.3900 . ?
C3 C6 1.534(18) . ?
C4 C5 1.3900 . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 O1 1.158(18) . ?
C6 O2 1.328(19) . ?
O2 C7 1.473(18) . ?
C7 C8 1.37(3) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 O3A 1.35(3) . ?
C8 O3B 1.65(6) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 H8C 0.9700 . ?
C8 H8D 0.9700 . ?
O3A C9 1.50(3) . ?
O3B C9 1.32(5) . ?
C9 C10 1.39(3) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 H9C 0.9700 . ?
C9 H9D 0.9700 . ?
C10 O4 1.469(19) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
O4 C11 1.29(2) . ?
O5 C11 1.192(18) . ?
C11 C14 1.477(17) . ?
N2 C12 1.3900 . ?
N2 C16 1.3900 . ?
N2 Ag1 2.186(6) 3_565 ?
C12 C13 1.3900 . ?
C12 H12 0.9300 . ?
C13 C14 1.3900 . ?
C13 H13 0.9300 . ?
C14 C15 1.3900 . ?
C15 C16 1.3900 . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
N3 O8 1.21(2) . ?
N3 O7 1.24(2) . ?
N3 O6 1.277(19) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N1 149.0(4) 3_565 . ?
N2 Ag1 O6 120.4(4) 3_565 . ?
N1 Ag1 O6 88.9(4) . . ?
N2 Ag1 Ag1 102.0(3) 3_565 3_565 ?
N1 Ag1 Ag1 83.1(3) . 3_565 ?
O6 Ag1 Ag1 60.2(4) . 3_565 ?
C1 N1 C5 120.0 . . ?
C1 N1 Ag1 121.5(5) . . ?
C5 N1 Ag1 118.3(5) . . ?
N1 C1 C2 120.0 . . ?
N1 C1 H1 120.0 . . ?
C2 C1 H1 120.0 . . ?
C3 C2 C1 120.0 . . ?
C3 C2 H2 120.0 . . ?
C1 C2 H2 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 C6 118.3(9) . . ?
C2 C3 C6 121.6(9) . . ?
C3 C4 C5 120.0 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 N1 120.0 . . ?
C4 C5 H5 120.0 . . ?
N1 C5 H5 120.0 . . ?
O1 C6 O2 129.2(16) . . ?
O1 C6 C3 120.6(14) . . ?
O2 C6 C3 110.2(15) . . ?
C6 O2 C7 112.5(16) . . ?
C8 C7 O2 108.0(17) . . ?
C8 C7 H7A 110.1 . . ?
O2 C7 H7A 110.1 . . ?
C8 C7 H7B 110.1 . . ?
O2 C7 H7B 110.1 . . ?
H7A C7 H7B 108.4 . . ?
O3A C8 C7 127(2) . . ?
O3A C8 O3B 61(2) . . ?
C7 C8 O3B 89(3) . . ?
O3A C8 H8A 105.6 . . ?
C7 C8 H8A 105.6 . . ?
O3B C8 H8A 73.4 . . ?
O3A C8 H8B 105.6 . . ?
C7 C8 H8B 105.6 . . ?
O3B C8 H8B 165.0 . . ?
H8A C8 H8B 106.1 . . ?
O3A C8 H8C 55.8 . . ?
C7 C8 H8C 113.9 . . ?
O3B C8 H8C 113.9 . . ?
H8A C8 H8C 139.8 . . ?
H8B C8 H8C 56.6 . . ?
O3A C8 H8D 118.1 . . ?
C7 C8 H8D 113.9 . . ?
O3B C8 H8D 113.9 . . ?
H8A C8 H8D 41.4 . . ?
H8B C8 H8D 64.8 . . ?
H8C C8 H8D 111.1 . . ?
C8 O3A C9 111(2) . . ?
C9 O3B C8 105(3) . . ?
O3B C9 C10 138(2) . . ?
O3B C9 O3A 66(2) . . ?
C10 C9 O3A 100(2) . . ?
O3B C9 H9A 49.8 . . ?
C10 C9 H9A 111.8 . . ?
O3A C9 H9A 111.8 . . ?
O3B C9 H9B 110.1 . . ?
C10 C9 H9B 111.8 . . ?
O3A C9 H9B 111.8 . . ?
H9A C9 H9B 109.5 . . ?
O3B C9 H9C 102.6 . . ?
C10 C9 H9C 102.6 . . ?
O3A C9 H9C 59.5 . . ?
H9A C9 H9C 145.6 . . ?
H9B C9 H9C 55.6 . . ?
O3B C9 H9D 102.6 . . ?
C10 C9 H9D 102.6 . . ?
O3A C9 H9D 155.1 . . ?
H9A C9 H9D 69.0 . . ?
H9B C9 H9D 49.4 . . ?
H9C C9 H9D 105.0 . . ?
C9 C10 O4 108.7(18) . . ?
C9 C10 H10A 110.0 . . ?
O4 C10 H10A 110.0 . . ?
C9 C10 H10B 110.0 . . ?
O4 C10 H10B 110.0 . . ?
H10A C10 H10B 108.3 . . ?
C11 O4 C10 120.2(15) . . ?
O5 C11 O4 124.3(16) . . ?
O5 C11 C14 122.5(17) . . ?
O4 C11 C14 112.7(14) . . ?
C12 N2 C16 120.0 . . ?
C12 N2 Ag1 121.5(5) . 3_565 ?
C16 N2 Ag1 118.0(5) . 3_565 ?
N2 C12 C13 120.0 . . ?
N2 C12 H12 120.0 . . ?
C13 C12 H12 120.0 . . ?
C12 C13 C14 120.0 . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
C15 C14 C13 120.0 . . ?
C15 C14 C11 118.6(10) . . ?
C13 C14 C11 121.4(10) . . ?
C14 C15 C16 120.0 . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C15 C16 N2 120.0 . . ?
C15 C16 H16 120.0 . . ?
N2 C16 H16 120.0 . . ?
O8 N3 O7 125.4(17) . . ?
O8 N3 O6 118(2) . . ?
O7 N3 O6 116.2(19) . . ?
N3 O6 Ag1 101.2(14) . . ?

_diffrn_measured_fraction_theta_max 0.930
_diffrn_reflns_theta_full        27.15
_diffrn_measured_fraction_theta_full 0.930
_refine_diff_density_max         0.471
_refine_diff_density_min         -1.178
_refine_diff_density_rms         0.113
_chemical_compound_source        'L6 and AgNO3 in THF/Water'
_exptl_crystal_recrystallization_method 'Solvent diffusion'

