# Supplementary Material (ESI) for Chemical Communications
# This journal is (c) The Royal Society of Chemistry 2006


data_global

_journal_coden_Cambridge         182
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

loop_
_publ_author_name
'Ohrstrom, Lars'
'Abu-Youssef, Morsy A.M.'
'Langer, Vratislav'

_publ_contact_author_name        'Lars Ohrstrom'
_publ_contact_author_address     
;
Department of Chemical and Biological Engineering
Chalmers University of Technology
Physical Chemistry
Gothenburg
41296
SWEDEN
;

_publ_contact_author_email       OHRSTROM@CHEM.CHALMERS.SE

_publ_requested_journal          'Chemical Communications'

_publ_section_title              
;
A unique example of a high symmetry three- and
four-connected hydrogen bonded 3D-network
;

data_m_c
_database_code_depnum_ccdc_archive 'CCDC 279553'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C15 H18 Ag1.50 N7.50 O4.50'
_chemical_formula_weight         537.17

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   C2/c

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

_cell_length_a                   7.1491(1)
_cell_length_b                   12.1585(2)
_cell_length_c                   44.3897(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.601(1)
_cell_angle_gamma                90.00
_cell_volume                     3846.02(9)
_cell_formula_units_Z            8
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    5538
_cell_measurement_theta_min      0.92
_cell_measurement_theta_max      25.00

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      0
_exptl_crystal_density_diffrn    1.855
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2136
_exptl_absorpt_coefficient_mu    1.584
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4707
_exptl_absorpt_correction_T_max  0.7528
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2002)'

_exptl_special_details           
;
Data were collected at low temperature using a Siemens SMART CCD
diffractometer equiped with a LT-2 device. A full sphere of reciprocal space
was scanned by 0.3\% steps in \w with a crystal--to--detector distance of
5.50cm, 20 seconds per frame. Preliminary orientation
matrix was obtained from the first 100 frames using SMART (Siemens,
1995). The collected frames were integrated using the preliminary
orientation matrix which was updated every 100 frames. Final cell parameters
were obtained by refinement on the position of 5538 reflections with
I>10\s(I) after integration of all the frames data using SAINT
(Siemens, 1995).
;

_publ_section_exptl_refinement   
;
The crystal is twinned with twin tranformation -100/0-10/101 and the
other individual's volume is 0.194(8)%.
Hydrogen atoms were refined isotropically with their U~iso~ constrained
to 120% of the respective pivot atom's U~eq~ and
were constrained to the ideal geometry using an appropriate riding model.
For aromatic H atoms, the C--H distance was kept fixed at 0.95\%A and for
amino H atoms the N--H distance was kept fixed at 0.88 \%A.
;

_diffrn_ambient_temperature      173(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 and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            14192
_diffrn_reflns_av_R_equivalents  0.0829
_diffrn_reflns_av_sigmaI/netI    0.0499
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -52
_diffrn_reflns_limit_l_max       52
_diffrn_reflns_theta_min         0.92
_diffrn_reflns_theta_max         25.00
_reflns_number_total             3395
_reflns_number_gt                2643
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ 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/[\s^2^(Fo^2^)+(0.0215P)^2^+63.9189P] where P=(Fo^2^+2Fc^2^)/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     SHELXL
_refine_ls_extinction_coef       0.00075(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_number_reflns         3395
_refine_ls_number_parameters     261
_refine_ls_number_restraints     180
_refine_ls_R_factor_all          0.0665
_refine_ls_R_factor_gt           0.0546
_refine_ls_wR_factor_ref         0.1275
_refine_ls_wR_factor_gt          0.1205
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.021
_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 0.33299(10) 0.35636(5) 0.083332(15) 0.0329(2) Uani 1 1 d U . .
Ag2 Ag 0.5000 0.13996(7) 0.2500 0.0314(3) Uani 1 2 d SU . .
N1A N 0.3666(9) 0.3678(5) 0.03658(14) 0.0277(14) Uani 1 1 d U . .
C2A C 0.2703(12) 0.4420(6) 0.01929(18) 0.0310(17) Uani 1 1 d U . .
H2A H 0.1956 0.4935 0.0291 0.037 Uiso 1 1 calc R . .
N2A N 0.3867(11) 0.3764(5) -0.05716(15) 0.0374(16) Uani 1 1 d U . .
H2A1 H 0.3192 0.4248 -0.0680 0.045 Uiso 1 1 calc R . .
H2A2 H 0.4571 0.3290 -0.0661 0.045 Uiso 1 1 calc R . .
C3A C 0.2718(12) 0.4489(6) -0.01115(18) 0.0322(18) Uani 1 1 d U . .
H3A H 0.1986 0.5035 -0.0219 0.039 Uiso 1 1 calc R . .
C4A C 0.3821(11) 0.3750(6) -0.02715(16) 0.0254(15) Uani 1 1 d U . .
C5A C 0.4863(12) 0.2972(6) -0.00927(17) 0.0319(18) Uani 1 1 d U . .
H5A H 0.5634 0.2451 -0.0183 0.038 Uiso 1 1 calc R . .
C6A C 0.4747(11) 0.2977(6) 0.02154(16) 0.0240(15) Uani 1 1 d U . .
H6A H 0.5476 0.2452 0.0332 0.029 Uiso 1 1 calc R . .
N1B N 0.2967(10) 0.3650(5) 0.13060(14) 0.0292(14) Uani 1 1 d U . .
C2B C 0.1937(11) 0.2935(6) 0.14500(17) 0.0270(16) Uani 1 1 d U . .
H2B H 0.1272 0.2385 0.1333 0.032 Uiso 1 1 calc R . .
N2B N 0.2815(10) 0.3729(5) 0.22387(14) 0.0352(16) Uani 1 1 d U . .
H2B1 H 0.3472 0.4219 0.2348 0.042 Uiso 1 1 calc R . .
H2B2 H 0.2128 0.3244 0.2327 0.042 Uiso 1 1 calc R . .
C3B C 0.1778(11) 0.2942(6) 0.17543(17) 0.0256(15) Uani 1 1 d U . .
H3B H 0.0966 0.2441 0.1844 0.031 Uiso 1 1 calc R . .
C4B C 0.2860(11) 0.3719(6) 0.19354(17) 0.0272(16) Uani 1 1 d U . .
C5B C 0.3912(11) 0.4459(6) 0.17844(17) 0.0260(16) Uani 1 1 d U . .
H5B H 0.4619 0.5012 0.1894 0.031 Uiso 1 1 calc R . .
C6B C 0.3934(11) 0.4393(6) 0.14722(16) 0.0240(15) Uani 1 1 d U . .
H6B H 0.4678 0.4905 0.1373 0.029 Uiso 1 1 calc R . .
N1C N 0.5363(10) 0.1294(5) 0.20305(13) 0.0282(14) Uani 1 1 d U . .
C2C C 0.6439(12) 0.2000(6) 0.18842(19) 0.0328(18) Uani 1 1 d U . .
H2C H 0.7202 0.2511 0.2000 0.039 Uiso 1 1 calc R . .
N2C N 0.5504(10) 0.1220(5) 0.10950(14) 0.0321(15) Uani 1 1 d U . .
H2C1 H 0.4809 0.0740 0.0988 0.039 Uiso 1 1 calc R . .
H2C2 H 0.6206 0.1690 0.1004 0.039 Uiso 1 1 calc R . .
C3C C 0.6471(10) 0.2007(6) 0.15798(16) 0.0233(15) Uani 1 1 d U . .
H3C H 0.7182 0.2553 0.1487 0.028 Uiso 1 1 calc R . .
C4C C 0.5493(11) 0.1235(6) 0.14009(16) 0.0253(15) Uani 1 1 d U . .
C5C C 0.4381(11) 0.0491(5) 0.15499(16) 0.0241(15) Uani 1 1 d U . .
H5C H 0.3651 -0.0047 0.1439 0.029 Uiso 1 1 calc R . .
C6C C 0.4363(11) 0.0551(6) 0.18524(17) 0.0287(17) Uani 1 1 d U . .
H6C H 0.3600 0.0041 0.1949 0.034 Uiso 1 1 calc R . .
N1D N 0.8333(10) 0.3650(4) 0.08337(13) 0.0235(11) Uani 1 1 d U . .
O1D O 0.9482(8) 0.4149(5) 0.06840(14) 0.0389(14) Uani 1 1 d U . .
O2D O 0.8339(10) 0.2616(4) 0.08379(15) 0.0432(13) Uani 1 1 d U . .
O3D O 0.7224(9) 0.4156(5) 0.09822(14) 0.0432(15) Uani 1 1 d U . .
N1E N 0.0000 0.1330(8) 0.2500 0.040(2) Uani 1 2 d SU . .
O1E O -0.1115(9) 0.0807(5) 0.26416(12) 0.0429(15) Uani 1 1 d U . .
O3E O 0.0000 0.2339(6) 0.2500 0.047(2) Uani 1 2 d SU . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ag1 0.0297(3) 0.0420(4) 0.0261(3) -0.0006(3) -0.0023(2) 0.0031(3)
Ag2 0.0388(5) 0.0433(5) 0.0122(4) 0.000 0.0016(4) 0.000
N1A 0.026(2) 0.030(2) 0.027(2) -0.001(2) -0.001(2) -0.002(2)
C2A 0.033(3) 0.029(3) 0.031(3) -0.002(2) 0.002(2) -0.003(2)
N2A 0.044(4) 0.036(3) 0.032(3) 0.004(3) 0.003(3) 0.005(3)
C3A 0.033(3) 0.029(3) 0.034(3) 0.001(2) 0.000(2) -0.001(2)
C4A 0.025(3) 0.025(2) 0.025(3) 0.000(2) -0.002(2) -0.005(2)
C5A 0.034(3) 0.030(3) 0.031(3) -0.001(2) 0.002(2) -0.002(2)
C6A 0.022(3) 0.024(2) 0.025(3) 0.002(2) -0.002(2) -0.003(2)
N1B 0.031(2) 0.029(2) 0.027(2) 0.000(2) -0.002(2) 0.005(2)
C2B 0.025(3) 0.025(2) 0.030(3) -0.001(2) -0.003(2) 0.003(2)
N2B 0.043(4) 0.037(3) 0.025(3) -0.005(3) -0.003(3) -0.007(3)
C3B 0.025(3) 0.023(2) 0.028(3) 0.001(2) -0.004(2) 0.001(2)
C4B 0.027(3) 0.027(2) 0.028(3) -0.001(2) 0.003(2) 0.005(2)
C5B 0.026(3) 0.025(2) 0.026(3) -0.003(2) -0.001(2) 0.001(2)
C6B 0.022(3) 0.026(2) 0.024(3) 0.003(2) 0.001(2) 0.002(2)
N1C 0.031(3) 0.029(2) 0.024(2) 0.002(2) -0.002(2) 0.004(2)
C2C 0.034(3) 0.031(3) 0.033(3) -0.001(2) -0.001(2) 0.000(2)
N2C 0.040(4) 0.036(3) 0.021(3) 0.002(3) 0.001(3) -0.001(3)
C3C 0.022(3) 0.024(2) 0.024(3) 0.002(2) 0.003(2) 0.001(2)
C4C 0.026(3) 0.025(2) 0.024(3) 0.002(2) -0.003(2) 0.005(2)
C5C 0.022(3) 0.023(2) 0.026(3) 0.001(2) -0.002(2) -0.001(2)
C6C 0.028(3) 0.027(3) 0.030(3) 0.002(2) 0.000(2) 0.000(2)
N1D 0.023(2) 0.032(2) 0.0151(19) -0.004(2) -0.0011(18) 0.006(2)
O1D 0.028(3) 0.045(3) 0.042(3) 0.012(3) -0.005(3) -0.003(3)
O2D 0.051(3) 0.034(3) 0.046(3) 0.003(3) 0.013(3) -0.003(3)
O3D 0.035(3) 0.051(3) 0.046(3) -0.014(3) 0.017(3) 0.008(3)
N1E 0.041(3) 0.034(3) 0.046(3) 0.000 0.000(3) 0.000
O1E 0.047(4) 0.050(3) 0.032(3) 0.013(3) 0.000(3) 0.000(3)
O3E 0.055(5) 0.030(4) 0.057(5) 0.000 0.014(4) 0.000

_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 N1A 2.113(6) . ?
Ag1 N1B 2.137(6) . ?
Ag2 N1C 2.125(6) 2_655 ?
Ag2 N1C 2.125(6) . ?
N1A C2A 1.339(10) . ?
N1A C6A 1.361(9) . ?
C2A C3A 1.355(11) . ?
C2A H2A 0.9500 . ?
N2A C4A 1.335(9) . ?
N2A H2A1 0.8800 . ?
N2A H2A2 0.8800 . ?
C3A C4A 1.423(11) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.408(11) . ?
C5A C6A 1.377(10) . ?
C5A H5A 0.9500 . ?
C6A H6A 0.9500 . ?
N1B C2B 1.335(10) . ?
N1B C6B 1.325(9) . ?
C2B C3B 1.365(10) . ?
C2B H2B 0.9500 . ?
N2B C4B 1.349(10) . ?
N2B H2B1 0.8800 . ?
N2B H2B2 0.8800 . ?
C3B C4B 1.428(10) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.380(10) . ?
C5B C6B 1.390(10) . ?
C5B H5B 0.9500 . ?
C6B H6B 0.9500 . ?
N1C C6C 1.364(10) . ?
N1C C2C 1.353(10) . ?
C2C C3C 1.353(10) . ?
C2C H2C 0.9500 . ?
N2C C4C 1.359(9) . ?
N2C H2C1 0.8800 . ?
N2C H2C2 0.8800 . ?
C3C C4C 1.382(10) . ?
C3C H3C 0.9500 . ?
C4C C5C 1.405(10) . ?
C5C C6C 1.346(10) . ?
C5C H5C 0.9500 . ?
C6C H6C 0.9500 . ?
N1D O1D 1.253(8) . ?
N1D O3D 1.234(8) . ?
N1D O2D 1.258(7) . ?
N1E O1E 1.231(7) 2 ?
N1E O1E 1.231(7) . ?
N1E O3E 1.227(12) . ?

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
N1A Ag1 N1B 173.4(2) . . ?
N1C Ag2 N1C 173.0(3) 2_655 . ?
C2A N1A C6A 115.3(7) . . ?
C2A N1A Ag1 120.9(5) . . ?
C6A N1A Ag1 123.7(5) . . ?
N1A C2A C3A 124.6(8) . . ?
N1A C2A H2A 117.7 . . ?
C3A C2A H2A 117.7 . . ?
C4A N2A H2A1 120.0 . . ?
C4A N2A H2A2 120.0 . . ?
H2A1 N2A H2A2 120.0 . . ?
C2A C3A C4A 120.5(8) . . ?
C2A C3A H3A 119.7 . . ?
C4A C3A H3A 119.7 . . ?
N2A C4A C3A 123.2(7) . . ?
N2A C4A C5A 121.1(7) . . ?
C3A C4A C5A 115.6(7) . . ?
C6A C5A C4A 119.0(7) . . ?
C6A C5A H5A 120.5 . . ?
C4A C5A H5A 120.5 . . ?
C5A C6A N1A 124.9(7) . . ?
C5A C6A H6A 117.6 . . ?
N1A C6A H6A 117.6 . . ?
C2B N1B C6B 117.4(6) . . ?
C2B N1B Ag1 123.6(5) . . ?
C6B N1B Ag1 118.8(5) . . ?
N1B C2B C3B 124.2(7) . . ?
N1B C2B H2B 117.9 . . ?
C3B C2B H2B 117.9 . . ?
C4B N2B H2B1 120.0 . . ?
C4B N2B H2B2 120.0 . . ?
H2B1 N2B H2B2 120.0 . . ?
C2B C3B C4B 118.5(7) . . ?
C2B C3B H3B 120.7 . . ?
C4B C3B H3B 120.7 . . ?
N2B C4B C5B 122.5(7) . . ?
N2B C4B C3B 120.8(7) . . ?
C5B C4B C3B 116.7(7) . . ?
C6B C5B C4B 119.8(7) . . ?
C6B C5B H5B 120.1 . . ?
C4B C5B H5B 120.1 . . ?
N1B C6B C5B 123.2(7) . . ?
N1B C6B H6B 118.4 . . ?
C5B C6B H6B 118.4 . . ?
C6C N1C C2C 115.7(6) . . ?
C6C N1C Ag2 120.6(5) . . ?
C2C N1C Ag2 123.5(5) . . ?
C3C C2C N1C 122.6(7) . . ?
C3C C2C H2C 118.7 . . ?
N1C C2C H2C 118.7 . . ?
C4C N2C H2C1 120.0 . . ?
C4C N2C H2C2 120.0 . . ?
H2C1 N2C H2C2 120.0 . . ?
C2C C3C C4C 121.4(7) . . ?
C2C C3C H3C 119.3 . . ?
C4C C3C H3C 119.3 . . ?
N2C C4C C5C 120.7(7) . . ?
N2C C4C C3C 122.7(7) . . ?
C5C C4C C3C 116.5(7) . . ?
C6C C5C C4C 119.0(7) . . ?
C6C C5C H5C 120.5 . . ?
C4C C5C H5C 120.5 . . ?
C5C C6C N1C 124.6(7) . . ?
C5C C6C H6C 117.7 . . ?
N1C C6C H6C 117.7 . . ?
O1D N1D O3D 121.2(6) . . ?
O1D N1D O2D 119.3(6) . . ?
O3D N1D O2D 119.4(7) . . ?
O1E N1E O1E 117.8(10) 2 . ?
O1E N1E O3E 121.1(5) 2 . ?
O1E N1E O3E 121.1(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
N1B Ag1 N1A C2A -38(3) . . . . ?
N1B Ag1 N1A C6A 147(2) . . . . ?
C6A N1A C2A C3A 1.5(12) . . . . ?
Ag1 N1A C2A C3A -174.3(6) . . . . ?
N1A C2A C3A C4A -0.6(13) . . . . ?
C2A C3A C4A N2A 178.8(8) . . . . ?
C2A C3A C4A C5A -0.2(11) . . . . ?
N2A C4A C5A C6A -178.9(7) . . . . ?
C3A C4A C5A C6A 0.0(11) . . . . ?
C4A C5A C6A N1A 0.9(12) . . . . ?
C2A N1A C6A C5A -1.7(11) . . . . ?
Ag1 N1A C6A C5A 174.0(6) . . . . ?
N1A Ag1 N1B C2B 141(2) . . . . ?
N1A Ag1 N1B C6B -45(3) . . . . ?
C6B N1B C2B C3B 2.0(11) . . . . ?
Ag1 N1B C2B C3B 176.1(6) . . . . ?
N1B C2B C3B C4B -3.8(11) . . . . ?
C2B C3B C4B N2B -177.2(7) . . . . ?
C2B C3B C4B C5B 3.9(10) . . . . ?
N2B C4B C5B C6B 178.6(7) . . . . ?
C3B C4B C5B C6B -2.4(11) . . . . ?
C2B N1B C6B C5B -0.3(11) . . . . ?
Ag1 N1B C6B C5B -174.7(6) . . . . ?
C4B C5B C6B N1B 0.7(11) . . . . ?
N1C Ag2 N1C C6C 42.8(5) 2_655 . . . ?
N1C Ag2 N1C C2C -143.3(6) 2_655 . . . ?
C6C N1C C2C C3C 2.6(11) . . . . ?
Ag2 N1C C2C C3C -171.5(6) . . . . ?
N1C C2C C3C C4C -4.5(12) . . . . ?
C2C C3C C4C N2C -179.8(8) . . . . ?
C2C C3C C4C C5C 3.7(11) . . . . ?
N2C C4C C5C C6C -178.0(7) . . . . ?
C3C C4C C5C C6C -1.5(11) . . . . ?
C4C C5C C6C N1C -0.1(12) . . . . ?
C2C N1C C6C C5C -0.4(11) . . . . ?
Ag2 N1C C6C C5C 174.0(6) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2A H2A1 O3D 0.88 2.36 3.178(9) 153.9 5_665
N2A H2A2 O2D 0.88 2.06 2.930(10) 168.4 7_655
N2B H2B1 O1E 0.88 2.33 3.154(9) 154.9 3
N2B H2B2 O3E 0.88 2.07 2.936(8) 166.7 .
N2C H2C1 O1D 0.88 2.36 3.160(9) 151.4 3_445
N2C H2C2 O2D 0.88 2.08 2.943(9) 167.6 .

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         0.393
_refine_diff_density_min         -0.673
_refine_diff_density_rms         0.087