# Electronic Supplementary Material for CrystEngComm
# This journal is (c) The Royal Society of Chemistry 2009

data_global
_journal_name_full               CrystEngComm

_journal_coden_Cambridge         1350

_publ_contact_author_name        'Peng Cheng'
_publ_contact_author_email       PCHENG@NANKAI.EDU.CN

_publ_section_title              
;
Structures and Luminescent Properties of a Series
of Ln-Ag Heterometallic Coordination Polymers
;
loop_
_publ_author_name
'Peng Cheng'
'Shi Wei'
'Xiao-Qing Zhao'
'Bin Zhao'

#===END

data_5
_database_code_depnum_ccdc_archive 'CCDC 637079'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C14 H18 Ag Eu N2 O14'
_chemical_formula_sum            'C14 H18 Ag Eu N2 O14'
_chemical_formula_weight         698.13

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'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   14.598(4)
_cell_length_b                   7.3645(18)
_cell_length_c                   19.757(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.849(4)
_cell_angle_gamma                90.00
_cell_volume                     2098.6(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    294(2)
_cell_measurement_reflns_used    4389
_cell_measurement_theta_min      2.96
_cell_measurement_theta_max      26.37

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      NONE
_exptl_crystal_density_diffrn    2.210
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1352
_exptl_absorpt_coefficient_mu    3.970
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4755
_exptl_absorpt_correction_T_max  0.6923
_exptl_absorpt_process_details   SADBAS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      294(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            10103
_diffrn_reflns_av_R_equivalents  0.0531
_diffrn_reflns_av_sigmaI/netI    0.0588
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.88
_diffrn_reflns_theta_max         25.01
_reflns_number_total             3699
_reflns_number_gt                2990
_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 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)+(0.0789P)²+18.6782P] 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         3699
_refine_ls_number_parameters     289
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0711
_refine_ls_R_factor_gt           0.0573
_refine_ls_wR_factor_ref         0.1496
_refine_ls_wR_factor_gt          0.1401
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.890
_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
Eu1 Eu 0.79578(5) 0.04105(11) 0.13846(4) 0.0192(3) Uani 1 1 d U . .
Ag1 Ag 0.87902(16) 0.5033(3) 0.00702(16) 0.0874(8) Uani 1 1 d U . .
O1 O 0.7938(8) 0.2545(16) 0.0438(6) 0.032(3) Uani 1 1 d . . .
O2 O 0.7369(10) 0.3740(19) -0.0562(7) 0.045(3) Uani 1 1 d . . .
O3 O 0.6976(8) -0.2267(16) 0.1385(6) 0.029(3) Uani 1 1 d . . .
O4 O 0.5963(9) -0.4304(17) 0.0870(7) 0.039(3) Uani 1 1 d . . .
O5 O 0.8685(8) -0.1714(16) 0.0688(6) 0.032(3) Uani 1 1 d . . .
O6 O 0.9939(10) -0.3023(19) 0.0384(8) 0.050(4) Uani 1 1 d . . .
O7 O 0.8670(8) 0.3167(16) 0.1941(6) 0.028(3) Uani 1 1 d . . .
O8 O 0.9821(9) 0.5191(18) 0.2148(8) 0.045(4) Uani 1 1 d . . .
O9 O 0.8950(8) -0.1577(16) 0.2201(6) 0.031(3) Uani 1 1 d . . .
H9A H 0.9553 -0.1002 0.2368 0.037 Uiso 1 1 d R . .
H9B H 0.9225 -0.2310 0.2083 0.037 Uiso 1 1 d R . .
O10 O 0.7473(8) 0.0480(16) 0.2507(6) 0.028(3) Uani 1 1 d . . .
H10A H 0.7648 0.0971 0.2783 0.034 Uiso 1 1 d R . .
H10B H 0.7100 -0.0459 0.2619 0.034 Uiso 1 1 d R . .
O11 O 0.6621(8) 0.2424(16) 0.1437(6) 0.032(3) Uani 1 1 d . . .
H11A H 0.6612 0.2708 0.1881 0.039 Uiso 1 1 d R . .
H11B H 0.6525 0.3245 0.1282 0.039 Uiso 1 1 d R . .
N1 N 0.6784(10) -0.0178(18) 0.0299(7) 0.024(3) Uani 1 1 d . . .
N2 N 0.9643(9) 0.1016(19) 0.1267(7) 0.025(3) Uani 1 1 d . . .
C1 C 0.7371(12) 0.254(2) -0.0118(8) 0.026(4) Uani 1 1 d . . .
C2 C 0.6712(11) 0.096(2) -0.0233(8) 0.025(3) Uani 1 1 d . . .
C3 C 0.6107(13) 0.066(3) -0.0835(10) 0.037(4) Uani 1 1 d . . .
H3 H 0.6066 0.1470 -0.1198 0.044 Uiso 1 1 calc R . .
C4 C 0.5569(14) -0.089(3) -0.0879(10) 0.045(5) Uani 1 1 d . . .
H4 H 0.5158 -0.1132 -0.1277 0.054 Uiso 1 1 calc R . .
C5 C 0.5639(13) -0.208(3) -0.0332(9) 0.035(4) Uani 1 1 d . . .
H5 H 0.5275 -0.3123 -0.0354 0.042 Uiso 1 1 calc R . .
C6 C 0.6265(11) -0.169(2) 0.0246(8) 0.025(4) Uani 1 1 d . . .
C7 C 0.6402(12) -0.287(2) 0.0889(8) 0.028(4) Uani 1 1 d . . .
C8 C 0.9548(12) -0.175(2) 0.0652(9) 0.027(4) Uani 1 1 d . . .
C9 C 1.0117(12) -0.017(2) 0.0952(9) 0.030(4) Uani 1 1 d . . .
C10 C 1.1037(13) 0.003(3) 0.0904(11) 0.043(5) Uani 1 1 d . . .
H10 H 1.1355 -0.0835 0.0689 0.051 Uiso 1 1 calc R . .
C11 C 1.1475(14) 0.158(3) 0.1186(12) 0.051(6) Uani 1 1 d . . .
H11 H 1.2101 0.1760 0.1165 0.061 Uiso 1 1 calc R . .
C12 C 1.0989(13) 0.284(3) 0.1497(11) 0.043(5) Uani 1 1 d . . .
H12 H 1.1277 0.3906 0.1674 0.052 Uiso 1 1 calc R . .
C13 C 1.0076(11) 0.253(2) 0.1544(9) 0.026(4) Uani 1 1 d . . .
C14 C 0.9486(11) 0.372(2) 0.1908(9) 0.028(4) Uani 1 1 d . . .
O12 O 0.3036(10) 0.532(2) 0.1909(8) 0.059(4) Uani 1 1 d . . .
H12A H 0.2907 0.5689 0.1526 0.071 Uiso 1 1 d R . .
H12B H 0.2646 0.5903 0.2104 0.071 Uiso 1 1 d R . .
O13 O 0.1635(11) 0.674(3) 0.2554(11) 0.085(6) Uani 1 1 d . . .
H13A H 0.1709 0.7880 0.2536 0.102 Uiso 1 1 d R . .
H13B H 0.1086 0.6337 0.2447 0.102 Uiso 1 1 d R . .
O14 O 0.0082(11) 0.050(3) 0.3030(9) 0.073(6) Uani 1 1 d . . .
H14A H -0.0021 0.0426 0.3442 0.088 Uiso 1 1 d R . .
H14B H 0.0644 0.0617 0.2974 0.088 Uiso 1 1 d R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O10 2.429(12) . ?
Eu1 O5 2.432(12) . ?
Eu1 O3 2.438(11) . ?
Eu1 O1 2.439(12) . ?
Eu1 O7 2.461(11) . ?
Eu1 O11 2.466(11) . ?
Eu1 O9 2.475(11) . ?
Eu1 N2 2.545(13) . ?
Eu1 N1 2.567(13) . ?
Ag1 O6 2.219(13) 1_565 ?
Ag1 O1 2.390(12) . ?
Ag1 O2 2.444(14) . ?
O1 C1 1.27(2) . ?
O2 C1 1.24(2) . ?
O3 C7 1.27(2) . ?
O4 C7 1.24(2) . ?
O5 C8 1.27(2) . ?
O6 C8 1.25(2) . ?
O6 Ag1 2.219(13) 1_545 ?
O7 C14 1.27(2) . ?
O8 C14 1.25(2) . ?
O9 H9A 0.9865 . ?
O9 H9B 0.7327 . ?
O10 H10A 0.6721 . ?
O10 H10B 0.9284 . ?
O11 H11A 0.9034 . ?
O11 H11B 0.6826 . ?
N1 C2 1.34(2) . ?
N1 C6 1.34(2) . ?
N2 C9 1.33(2) . ?
N2 C13 1.35(2) . ?
C1 C2 1.50(2) . ?
C2 C3 1.39(2) . ?
C3 C4 1.38(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.38(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.38(2) . ?
C5 H5 0.9300 . ?
C6 C7 1.53(2) . ?
C8 C9 1.50(2) . ?
C9 C10 1.37(3) . ?
C10 C11 1.38(3) . ?
C10 H10 0.9300 . ?
C11 C12 1.37(3) . ?
C11 H11 0.9300 . ?
C12 C13 1.37(2) . ?
C12 H12 0.9300 . ?
C13 C14 1.49(2) . ?
O12 H12A 0.7997 . ?
O12 H12B 0.8499 . ?
O13 H13A 0.8492 . ?
O13 H13B 0.8501 . ?
O14 H14A 0.8515 . ?
O14 H14B 0.8501 . ?

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
O10 Eu1 O5 138.0(4) . . ?
O10 Eu1 O3 76.3(4) . . ?
O5 Eu1 O3 77.8(4) . . ?
O10 Eu1 O1 135.6(4) . . ?
O5 Eu1 O1 86.3(4) . . ?
O3 Eu1 O1 125.7(4) . . ?
O10 Eu1 O7 74.8(4) . . ?
O5 Eu1 O7 126.3(4) . . ?
O3 Eu1 O7 151.0(4) . . ?
O1 Eu1 O7 76.4(4) . . ?
O10 Eu1 O11 66.8(4) . . ?
O5 Eu1 O11 145.9(4) . . ?
O3 Eu1 O11 91.0(4) . . ?
O1 Eu1 O11 74.2(4) . . ?
O7 Eu1 O11 76.6(4) . . ?
O10 Eu1 O9 69.0(4) . . ?
O5 Eu1 O9 74.1(4) . . ?
O3 Eu1 O9 78.8(4) . . ?
O1 Eu1 O9 144.8(4) . . ?
O7 Eu1 O9 91.8(4) . . ?
O11 Eu1 O9 135.7(4) . . ?
O10 Eu1 N2 120.1(4) . . ?
O5 Eu1 N2 63.2(4) . . ?
O3 Eu1 N2 135.9(4) . . ?
O1 Eu1 N2 73.4(4) . . ?
O7 Eu1 N2 63.1(4) . . ?
O11 Eu1 N2 132.9(4) . . ?
O9 Eu1 N2 71.7(4) . . ?
O10 Eu1 N1 121.0(4) . . ?
O5 Eu1 N1 73.3(4) . . ?
O3 Eu1 N1 63.1(4) . . ?
O1 Eu1 N1 62.7(4) . . ?
O7 Eu1 N1 133.9(4) . . ?
O11 Eu1 N1 72.9(4) . . ?
O9 Eu1 N1 133.9(4) . . ?
N2 Eu1 N1 118.9(4) . . ?
O6 Ag1 O1 144.7(5) 1_565 . ?
O6 Ag1 O2 160.0(6) 1_565 . ?
O1 Ag1 O2 54.3(4) . . ?
C1 O1 Ag1 92.2(10) . . ?
C1 O1 Eu1 126.2(10) . . ?
Ag1 O1 Eu1 141.4(5) . . ?
C1 O2 Ag1 90.4(10) . . ?
C7 O3 Eu1 126.9(10) . . ?
C8 O5 Eu1 124.6(10) . . ?
C8 O6 Ag1 103.1(11) . 1_545 ?
C14 O7 Eu1 125.4(10) . . ?
Eu1 O9 H9A 111.5 . . ?
Eu1 O9 H9B 121.5 . . ?
H9A O9 H9B 85.3 . . ?
Eu1 O10 H10A 128.8 . . ?
Eu1 O10 H10B 117.8 . . ?
H10A O10 H10B 111.7 . . ?
Eu1 O11 H11A 108.1 . . ?
Eu1 O11 H11B 128.6 . . ?
H11A O11 H11B 101.4 . . ?
C2 N1 C6 119.0(14) . . ?
C2 N1 Eu1 120.8(11) . . ?
C6 N1 Eu1 120.1(10) . . ?
C9 N2 C13 119.2(14) . . ?
C9 N2 Eu1 120.5(11) . . ?
C13 N2 Eu1 120.3(10) . . ?
O2 C1 O1 122.6(15) . . ?
O2 C1 C2 120.7(15) . . ?
O1 C1 C2 116.7(14) . . ?
N1 C2 C3 122.4(16) . . ?
N1 C2 C1 113.3(14) . . ?
C3 C2 C1 124.3(15) . . ?
C4 C3 C2 118.1(17) . . ?
C4 C3 H3 121.0 . . ?
C2 C3 H3 121.0 . . ?
C3 C4 C5 120.1(17) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C6 C5 C4 118.2(16) . . ?
C6 C5 H5 120.9 . . ?
C4 C5 H5 120.9 . . ?
N1 C6 C5 122.3(15) . . ?
N1 C6 C7 114.0(14) . . ?
C5 C6 C7 123.7(15) . . ?
O4 C7 O3 126.9(15) . . ?
O4 C7 C6 117.5(15) . . ?
O3 C7 C6 115.6(14) . . ?
O6 C8 O5 123.9(16) . . ?
O6 C8 C9 119.1(16) . . ?
O5 C8 C9 117.0(14) . . ?
N2 C9 C10 123.1(17) . . ?
N2 C9 C8 113.6(15) . . ?
C10 C9 C8 123.3(16) . . ?
C9 C10 C11 117.5(18) . . ?
C9 C10 H10 121.2 . . ?
C11 C10 H10 121.2 . . ?
C12 C11 C10 120.1(18) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C13 C12 C11 119.2(18) . . ?
C13 C12 H12 120.4 . . ?
C11 C12 H12 120.4 . . ?
N2 C13 C12 120.8(16) . . ?
N2 C13 C14 114.4(14) . . ?
C12 C13 C14 124.8(16) . . ?
O8 C14 O7 125.2(15) . . ?
O8 C14 C13 118.2(15) . . ?
O7 C14 C13 116.6(14) . . ?
H12A O12 H12B 100.6 . . ?
H13A O13 H13B 117.1 . . ?
H14A O14 H14B 116.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O6 Ag1 O1 C1 174.5(10) 1_565 . . . ?
O2 Ag1 O1 C1 3.9(10) . . . . ?
O6 Ag1 O1 Eu1 -9.5(15) 1_565 . . . ?
O2 Ag1 O1 Eu1 179.9(12) . . . . ?
O10 Eu1 O1 C1 -102.7(14) . . . . ?
O5 Eu1 O1 C1 77.8(14) . . . . ?
O3 Eu1 O1 C1 5.8(16) . . . . ?
O7 Eu1 O1 C1 -153.4(14) . . . . ?
O11 Eu1 O1 C1 -73.8(14) . . . . ?
O9 Eu1 O1 C1 133.2(13) . . . . ?
N2 Eu1 O1 C1 141.0(14) . . . . ?
N1 Eu1 O1 C1 4.8(13) . . . . ?
O10 Eu1 O1 Ag1 82.2(10) . . . . ?
O5 Eu1 O1 Ag1 -97.2(9) . . . . ?
O3 Eu1 O1 Ag1 -169.3(8) . . . . ?
O7 Eu1 O1 Ag1 31.5(9) . . . . ?
O11 Eu1 O1 Ag1 111.2(10) . . . . ?
O9 Eu1 O1 Ag1 -41.8(13) . . . . ?
N2 Eu1 O1 Ag1 -34.1(9) . . . . ?
N1 Eu1 O1 Ag1 -170.3(11) . . . . ?
O6 Ag1 O2 C1 -168.0(14) 1_565 . . . ?
O1 Ag1 O2 C1 -4.0(10) . . . . ?
O10 Eu1 O3 C7 141.2(14) . . . . ?
O5 Eu1 O3 C7 -72.0(14) . . . . ?
O1 Eu1 O3 C7 4.3(16) . . . . ?
O7 Eu1 O3 C7 138.9(13) . . . . ?
O11 Eu1 O3 C7 75.5(14) . . . . ?
O9 Eu1 O3 C7 -147.9(14) . . . . ?
N2 Eu1 O3 C7 -99.5(14) . . . . ?
N1 Eu1 O3 C7 5.3(13) . . . . ?
O10 Eu1 O5 C8 -96.2(14) . . . . ?
O3 Eu1 O5 C8 -149.0(14) . . . . ?
O1 Eu1 O5 C8 83.2(14) . . . . ?
O7 Eu1 O5 C8 13.0(15) . . . . ?
O11 Eu1 O5 C8 137.8(13) . . . . ?
O9 Eu1 O5 C8 -67.3(13) . . . . ?
N2 Eu1 O5 C8 9.9(13) . . . . ?
N1 Eu1 O5 C8 145.7(14) . . . . ?
O10 Eu1 O7 C14 139.5(14) . . . . ?
O5 Eu1 O7 C14 0.4(15) . . . . ?
O3 Eu1 O7 C14 141.9(13) . . . . ?
O1 Eu1 O7 C14 -74.6(14) . . . . ?
O11 Eu1 O7 C14 -151.3(14) . . . . ?
O9 Eu1 O7 C14 71.9(14) . . . . ?
N2 Eu1 O7 C14 3.5(13) . . . . ?
N1 Eu1 O7 C14 -101.8(14) . . . . ?
O10 Eu1 N1 C2 126.8(12) . . . . ?
O5 Eu1 N1 C2 -96.7(13) . . . . ?
O3 Eu1 N1 C2 178.8(14) . . . . ?
O1 Eu1 N1 C2 -2.1(12) . . . . ?
O7 Eu1 N1 C2 28.0(15) . . . . ?
O11 Eu1 N1 C2 78.7(12) . . . . ?
O9 Eu1 N1 C2 -143.3(11) . . . . ?
N2 Eu1 N1 C2 -51.4(13) . . . . ?
O10 Eu1 N1 C6 -56.4(13) . . . . ?
O5 Eu1 N1 C6 80.1(12) . . . . ?
O3 Eu1 N1 C6 -4.4(12) . . . . ?
O1 Eu1 N1 C6 174.7(14) . . . . ?
O7 Eu1 N1 C6 -155.3(11) . . . . ?
O11 Eu1 N1 C6 -104.6(13) . . . . ?
O9 Eu1 N1 C6 33.4(15) . . . . ?
N2 Eu1 N1 C6 125.4(12) . . . . ?
O10 Eu1 N2 C9 125.5(12) . . . . ?
O5 Eu1 N2 C9 -6.6(12) . . . . ?
O3 Eu1 N2 C9 23.8(15) . . . . ?
O1 Eu1 N2 C9 -100.9(13) . . . . ?
O7 Eu1 N2 C9 176.2(14) . . . . ?
O11 Eu1 N2 C9 -149.4(12) . . . . ?
O9 Eu1 N2 C9 74.4(13) . . . . ?
N1 Eu1 N2 C9 -56.3(14) . . . . ?
O10 Eu1 N2 C13 -52.4(14) . . . . ?
O5 Eu1 N2 C13 175.5(14) . . . . ?
O3 Eu1 N2 C13 -154.1(11) . . . . ?
O1 Eu1 N2 C13 81.2(12) . . . . ?
O7 Eu1 N2 C13 -1.6(12) . . . . ?
O11 Eu1 N2 C13 32.7(15) . . . . ?
O9 Eu1 N2 C13 -103.5(13) . . . . ?
N1 Eu1 N2 C13 125.9(12) . . . . ?
Ag1 O2 C1 O1 7.2(18) . . . . ?
Ag1 O2 C1 C2 -170.4(14) . . . . ?
Ag1 O1 C1 O2 -7.4(18) . . . . ?
Eu1 O1 C1 O2 175.7(13) . . . . ?
Ag1 O1 C1 C2 170.3(13) . . . . ?
Eu1 O1 C1 C2 -7(2) . . . . ?
C6 N1 C2 C3 1(3) . . . . ?
Eu1 N1 C2 C3 177.9(13) . . . . ?
C6 N1 C2 C1 -176.7(15) . . . . ?
Eu1 N1 C2 C1 0.1(19) . . . . ?
O2 C1 C2 N1 -178.4(16) . . . . ?
O1 C1 C2 N1 4(2) . . . . ?
O2 C1 C2 C3 4(3) . . . . ?
O1 C1 C2 C3 -173.9(17) . . . . ?
N1 C2 C3 C4 0(3) . . . . ?
C1 C2 C3 C4 177.3(18) . . . . ?
C2 C3 C4 C5 0(3) . . . . ?
C3 C4 C5 C6 -1(3) . . . . ?
C2 N1 C6 C5 -2(3) . . . . ?
Eu1 N1 C6 C5 -178.6(14) . . . . ?
C2 N1 C6 C7 -179.4(15) . . . . ?
Eu1 N1 C6 C7 3.8(19) . . . . ?
C4 C5 C6 N1 2(3) . . . . ?
C4 C5 C6 C7 179.0(19) . . . . ?
Eu1 O3 C7 O4 173.3(14) . . . . ?
Eu1 O3 C7 C6 -5(2) . . . . ?
N1 C6 C7 O4 -178.2(16) . . . . ?
C5 C6 C7 O4 4(3) . . . . ?
N1 C6 C7 O3 1(2) . . . . ?
C5 C6 C7 O3 -176.9(17) . . . . ?
Ag1 O6 C8 O5 -2(2) 1_545 . . . ?
Ag1 O6 C8 C9 178.1(13) 1_545 . . . ?
Eu1 O5 C8 O6 167.9(14) . . . . ?
Eu1 O5 C8 C9 -12(2) . . . . ?
C13 N2 C9 C10 1(3) . . . . ?
Eu1 N2 C9 C10 -176.6(15) . . . . ?
C13 N2 C9 C8 -178.3(15) . . . . ?
Eu1 N2 C9 C8 4(2) . . . . ?
O6 C8 C9 N2 -175.2(17) . . . . ?
O5 C8 C9 N2 5(2) . . . . ?
O6 C8 C9 C10 5(3) . . . . ?
O5 C8 C9 C10 -174.9(19) . . . . ?
N2 C9 C10 C11 -1(3) . . . . ?
C8 C9 C10 C11 178(2) . . . . ?
C9 C10 C11 C12 0(4) . . . . ?
C10 C11 C12 C13 2(4) . . . . ?
C9 N2 C13 C12 1(3) . . . . ?
Eu1 N2 C13 C12 178.5(15) . . . . ?
C9 N2 C13 C14 -177.7(16) . . . . ?
Eu1 N2 C13 C14 0.2(19) . . . . ?
C11 C12 C13 N2 -2(3) . . . . ?
C11 C12 C13 C14 176(2) . . . . ?
Eu1 O7 C14 O8 174.4(14) . . . . ?
Eu1 O7 C14 C13 -5(2) . . . . ?
N2 C13 C14 O8 -176.5(17) . . . . ?
C12 C13 C14 O8 5(3) . . . . ?
N2 C13 C14 O7 3(2) . . . . ?
C12 C13 C14 O7 -175.5(18) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         3.885
_refine_diff_density_min         -2.818
_refine_diff_density_rms         0.228

#===END

data_8
_database_code_depnum_ccdc_archive 'CCDC 640098'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C41 H31 Ag2 Ce N7 O13'
_chemical_formula_weight         1185.59

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'
Ce Ce -0.2486 2.6331 '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                   25.244(3)
_cell_length_b                   10.7134(13)
_cell_length_c                   18.651(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 122.111(2)
_cell_angle_gamma                90.00
_cell_volume                     4272.5(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    294(2)
_cell_measurement_reflns_used    4401
_cell_measurement_theta_min      2.21
_cell_measurement_theta_max      25.03

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.843
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2328
_exptl_absorpt_coefficient_mu    2.029
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.749886
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      294(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            11766
_diffrn_reflns_av_R_equivalents  0.0362
_diffrn_reflns_av_sigmaI/netI    0.0410
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.13
_diffrn_reflns_theta_max         26.37
_reflns_number_total             4358
_reflns_number_gt                3424
_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 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)+(0.0229P)²+10.4225P] 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         4358
_refine_ls_number_parameters     295
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0501
_refine_ls_R_factor_gt           0.0328
_refine_ls_wR_factor_ref         0.0729
_refine_ls_wR_factor_gt          0.0652
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_restrained_S_all      1.024
_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
Ce1 Ce 0.5000 0.10346(3) 0.7500 0.03114(9) Uani 1 2 d S . .
Ag1 Ag 0.199118(17) 0.20120(4) 0.38235(2) 0.06458(13) Uani 1 1 d . . .
N2 N 0.5000 0.3397(4) 0.7500 0.0332(9) Uani 1 2 d S . .
N1 N 0.45861(13) -0.0035(3) 0.60928(18) 0.0361(7) Uani 1 1 d . . .
C1 C 0.40520(17) 0.0352(4) 0.5410(2) 0.0401(9) Uani 1 1 d . . .
O3 O 0.56082(11) -0.0595(2) 0.74801(17) 0.0443(6) Uani 1 1 d . . .
O5 O 0.54371(12) 0.2012(2) 0.68103(17) 0.0441(7) Uani 1 1 d . . .
N4 N 0.23342(15) 0.3456(3) 0.3353(2) 0.0493(8) Uani 1 1 d . . .
O1 O 0.40063(11) 0.1694(2) 0.63727(16) 0.0422(6) Uani 1 1 d . . .
C7 C 0.55265(18) -0.1221(3) 0.6840(3) 0.0432(9) Uani 1 1 d . . .
C8 C 0.52488(16) 0.4020(4) 0.7134(2) 0.0381(8) Uani 1 1 d . . .
O6 O 0.57623(16) 0.3637(3) 0.6396(2) 0.0724(10) Uani 1 1 d . . .
C11 C 0.55117(18) 0.3191(4) 0.6743(3) 0.0437(10) Uani 1 1 d . . .
C5 C 0.49309(17) -0.0907(3) 0.6015(2) 0.0401(9) Uani 1 1 d . . .
N3 N 0.17468(17) 0.0188(4) 0.4072(2) 0.0588(10) Uani 1 1 d . . .
O2 O 0.32036(14) 0.1707(3) 0.50438(19) 0.0698(9) Uani 1 1 d . . .
O4 O 0.58829(14) -0.2001(3) 0.6847(2) 0.0636(9) Uani 1 1 d . . .
C3 C 0.4196(2) -0.1037(5) 0.4537(3) 0.0639(13) Uani 1 1 d . . .
H3 H 0.4066 -0.1372 0.4008 0.077 Uiso 1 1 calc R . .
C6 C 0.37163(18) 0.1322(4) 0.5601(3) 0.0437(9) Uani 1 1 d . . .
C17 C 0.28968(19) 0.3383(4) 0.3451(3) 0.0523(11) Uani 1 1 d . . .
H17 H 0.3124 0.2648 0.3669 0.063 Uiso 1 1 calc R . .
C4 C 0.4741(2) -0.1439(4) 0.5242(3) 0.0554(12) Uani 1 1 d . . .
H4 H 0.4980 -0.2062 0.5198 0.066 Uiso 1 1 calc R . .
C12 C 0.1477(2) 0.0081(5) 0.4511(3) 0.0683(13) Uani 1 1 d . . .
H12 H 0.1376 0.0802 0.4690 0.082 Uiso 1 1 calc R . .
C2 C 0.3843(2) -0.0138(4) 0.4618(3) 0.0569(11) Uani 1 1 d . . .
H2 H 0.3470 0.0136 0.4147 0.068 Uiso 1 1 calc R . .
C18 C 0.3158(2) 0.4327(5) 0.3248(3) 0.0644(13) Uani 1 1 d . . .
H18 H 0.3551 0.4236 0.3324 0.077 Uiso 1 1 calc R . .
C21 C 0.2016(2) 0.4510(5) 0.3029(3) 0.0605(12) Uani 1 1 d . . .
H21 H 0.1621 0.4578 0.2948 0.073 Uiso 1 1 calc R . .
C20 C 0.2242(2) 0.5500(4) 0.2808(3) 0.0648(13) Uani 1 1 d . . .
H20 H 0.2004 0.6220 0.2581 0.078 Uiso 1 1 calc R . .
C19 C 0.2825(2) 0.5415(5) 0.2927(3) 0.0665(13) Uani 1 1 d . . .
H19 H 0.2993 0.6082 0.2794 0.080 Uiso 1 1 calc R . .
C10 C 0.5000 0.5957(6) 0.7500 0.0574(16) Uani 1 2 d S . .
H10 H 0.5000 0.6825 0.7500 0.069 Uiso 1 2 calc SR . .
C9 C 0.52578(19) 0.5315(4) 0.7119(3) 0.0501(10) Uani 1 1 d . . .
H9 H 0.5433 0.5736 0.6858 0.060 Uiso 1 1 calc R . .
C16 C 0.1872(3) -0.0855(6) 0.3813(4) 0.0881(18) Uani 1 1 d . . .
H16 H 0.2062 -0.0797 0.3503 0.106 Uiso 1 1 calc R . .
C15 C 0.1738(4) -0.2015(6) 0.3978(5) 0.106(2) Uani 1 1 d . . .
H15 H 0.1827 -0.2726 0.3775 0.127 Uiso 1 1 calc R . .
C14 C 0.1473(3) -0.2108(6) 0.4440(4) 0.097(2) Uani 1 1 d . . .
H14 H 0.1382 -0.2887 0.4568 0.116 Uiso 1 1 calc R . .
C13 C 0.1341(3) -0.1055(6) 0.4714(4) 0.0928(19) Uani 1 1 d . . .
H13 H 0.1160 -0.1100 0.5037 0.111 Uiso 1 1 calc R . .
O7 O 0.4699(6) 0.4457(13) 0.4906(8) 0.180(5) Uani 0.50 1 d P . .


_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
Ce1 O3 2.338(2) . ?
Ce1 O3 2.338(3) 2_656 ?
Ce1 O5 2.341(2) . ?
Ce1 O5 2.341(2) 2_656 ?
Ce1 O1 2.368(2) 2_656 ?
Ce1 O1 2.368(2) . ?
Ce1 N1 2.526(3) . ?
Ce1 N1 2.526(3) 2_656 ?
Ce1 N2 2.531(4) . ?
Ag1 N3 2.172(4) . ?
Ag1 N4 2.173(3) . ?
N2 C8 1.327(4) . ?
N2 C8 1.327(4) 2_656 ?
N1 C5 1.336(5) . ?
N1 C1 1.337(5) . ?
C1 C2 1.381(6) . ?
C1 C6 1.499(6) . ?
O3 C7 1.287(5) . ?
O5 C11 1.293(5) . ?
N4 C21 1.330(5) . ?
N4 C17 1.335(5) . ?
O1 C6 1.283(5) . ?
C7 O4 1.223(4) . ?
C7 C5 1.510(6) . ?
C8 C9 1.387(5) . ?
C8 C11 1.509(5) . ?
O6 C11 1.217(5) . ?
C5 C4 1.379(5) . ?
N3 C12 1.319(6) . ?
N3 C16 1.321(7) . ?
O2 C6 1.223(5) . ?
C3 C4 1.372(6) . ?
C3 C2 1.374(6) . ?
C3 H3 0.9300 . ?
C17 C18 1.366(6) . ?
C17 H17 0.9300 . ?
C4 H4 0.9300 . ?
C12 C13 1.372(7) . ?
C12 H12 0.9300 . ?
C2 H2 0.9300 . ?
C18 C19 1.374(6) . ?
C18 H18 0.9300 . ?
C21 C20 1.367(6) . ?
C21 H21 0.9300 . ?
C20 C19 1.368(6) . ?
C20 H20 0.9300 . ?
C19 H19 0.9300 . ?
C10 C9 1.377(5) . ?
C10 C9 1.377(5) 2_656 ?
C10 H10 0.9300 . ?
C9 H9 0.9300 . ?
C16 C15 1.366(8) . ?
C16 H16 0.9300 . ?
C15 C14 1.346(8) . ?
C15 H15 0.9300 . ?
C14 C13 1.352(8) . ?
C14 H14 0.9300 . ?
C13 H13 0.9300 . ?
O7 O7 1.79(2) 5_666 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3 Ce1 O3 83.42(13) . 2_656 ?
O3 Ce1 O5 79.63(9) . . ?
O3 Ce1 O5 148.03(9) 2_656 . ?
O3 Ce1 O5 148.03(9) . 2_656 ?
O3 Ce1 O5 79.62(9) 2_656 2_656 ?
O5 Ce1 O5 126.82(13) . 2_656 ?
O3 Ce1 O1 80.92(9) . 2_656 ?
O3 Ce1 O1 127.11(9) 2_656 2_656 ?
O5 Ce1 O1 76.59(9) . 2_656 ?
O5 Ce1 O1 87.98(9) 2_656 2_656 ?
O3 Ce1 O1 127.11(9) . . ?
O3 Ce1 O1 80.92(9) 2_656 . ?
O5 Ce1 O1 87.98(9) . . ?
O5 Ce1 O1 76.59(9) 2_656 . ?
O1 Ce1 O1 145.28(13) 2_656 . ?
O3 Ce1 N1 63.71(9) . . ?
O3 Ce1 N1 76.43(9) 2_656 . ?
O5 Ce1 N1 71.79(9) . . ?
O5 Ce1 N1 135.96(9) 2_656 . ?
O1 Ce1 N1 135.73(9) 2_656 . ?
O1 Ce1 N1 63.57(9) . . ?
O3 Ce1 N1 76.43(9) . 2_656 ?
O3 Ce1 N1 63.70(9) 2_656 2_656 ?
O5 Ce1 N1 135.96(9) . 2_656 ?
O5 Ce1 N1 71.78(9) 2_656 2_656 ?
O1 Ce1 N1 63.57(9) 2_656 2_656 ?
O1 Ce1 N1 135.73(9) . 2_656 ?
N1 Ce1 N1 126.02(14) . 2_656 ?
O3 Ce1 N2 138.29(6) . . ?
O3 Ce1 N2 138.29(6) 2_656 . ?
O5 Ce1 N2 63.41(6) . . ?
O5 Ce1 N2 63.41(6) 2_656 . ?
O1 Ce1 N2 72.64(6) 2_656 . ?
O1 Ce1 N2 72.64(6) . . ?
N1 Ce1 N2 116.99(7) . . ?
N1 Ce1 N2 116.99(7) 2_656 . ?
N3 Ag1 N4 161.14(15) . . ?
C8 N2 C8 119.6(5) . 2_656 ?
C8 N2 Ce1 120.2(2) . . ?
C8 N2 Ce1 120.2(2) 2_656 . ?
C5 N1 C1 119.9(3) . . ?
C5 N1 Ce1 119.8(2) . . ?
C1 N1 Ce1 120.0(2) . . ?
N1 C1 C2 121.3(4) . . ?
N1 C1 C6 113.6(3) . . ?
C2 C1 C6 125.1(4) . . ?
C7 O3 Ce1 128.4(2) . . ?
C11 O5 Ce1 128.8(2) . . ?
C21 N4 C17 116.9(4) . . ?
C21 N4 Ag1 121.0(3) . . ?
C17 N4 Ag1 121.8(3) . . ?
C6 O1 Ce1 127.4(2) . . ?
O4 C7 O3 126.3(4) . . ?
O4 C7 C5 119.4(4) . . ?
O3 C7 C5 114.3(3) . . ?
N2 C8 C9 122.1(4) . . ?
N2 C8 C11 113.8(3) . . ?
C9 C8 C11 124.1(4) . . ?
O6 C11 O5 125.3(4) . . ?
O6 C11 C8 120.9(4) . . ?
O5 C11 C8 113.8(3) . . ?
N1 C5 C4 121.3(4) . . ?
N1 C5 C7 113.5(3) . . ?
C4 C5 C7 125.3(4) . . ?
C12 N3 C16 117.1(4) . . ?
C12 N3 Ag1 120.7(3) . . ?
C16 N3 Ag1 122.2(3) . . ?
C4 C3 C2 119.6(4) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
O2 C6 O1 124.3(4) . . ?
O2 C6 C1 120.6(4) . . ?
O1 C6 C1 115.1(3) . . ?
N4 C17 C18 123.6(4) . . ?
N4 C17 H17 118.2 . . ?
C18 C17 H17 118.2 . . ?
C3 C4 C5 119.0(4) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 H4 120.5 . . ?
N3 C12 C13 122.5(5) . . ?
N3 C12 H12 118.8 . . ?
C13 C12 H12 118.8 . . ?
C3 C2 C1 118.8(4) . . ?
C3 C2 H2 120.6 . . ?
C1 C2 H2 120.6 . . ?
C17 C18 C19 118.4(4) . . ?
C17 C18 H18 120.8 . . ?
C19 C18 H18 120.8 . . ?
N4 C21 C20 123.2(4) . . ?
N4 C21 H21 118.4 . . ?
C20 C21 H21 118.4 . . ?
C21 C20 C19 118.9(4) . . ?
C21 C20 H20 120.5 . . ?
C19 C20 H20 120.5 . . ?
C20 C19 C18 118.9(4) . . ?
C20 C19 H19 120.5 . . ?
C18 C19 H19 120.5 . . ?
C9 C10 C9 120.0(6) . 2_656 ?
C9 C10 H10 120.0 . . ?
C9 C10 H10 120.0 2_656 . ?
C10 C9 C8 118.1(4) . . ?
C10 C9 H9 120.9 . . ?
C8 C9 H9 120.9 . . ?
N3 C16 C15 123.5(5) . . ?
N3 C16 H16 118.3 . . ?
C15 C16 H16 118.3 . . ?
C14 C15 C16 118.6(6) . . ?
C14 C15 H15 120.7 . . ?
C16 C15 H15 120.7 . . ?
C15 C14 C13 119.2(6) . . ?
C15 C14 H14 120.4 . . ?
C13 C14 H14 120.4 . . ?
C14 C13 C12 119.2(5) . . ?
C14 C13 H13 120.4 . . ?
C12 C13 H13 120.4 . . ?

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
O3 Ce1 N2 C8 29.1(2) . . . . ?
O3 Ce1 N2 C8 -150.9(2) 2_656 . . . ?
O5 Ce1 N2 C8 -1.12(19) . . . . ?
O5 Ce1 N2 C8 178.88(19) 2_656 . . . ?
O1 Ce1 N2 C8 82.26(19) 2_656 . . . ?
O1 Ce1 N2 C8 -97.74(19) . . . . ?
N1 Ce1 N2 C8 -50.79(19) . . . . ?
N1 Ce1 N2 C8 129.21(19) 2_656 . . . ?
O3 Ce1 N2 C8 -150.9(2) . . . 2_656 ?
O3 Ce1 N2 C8 29.1(2) 2_656 . . 2_656 ?
O5 Ce1 N2 C8 178.88(19) . . . 2_656 ?
O5 Ce1 N2 C8 -1.12(19) 2_656 . . 2_656 ?
O1 Ce1 N2 C8 -97.74(19) 2_656 . . 2_656 ?
O1 Ce1 N2 C8 82.26(19) . . . 2_656 ?
N1 Ce1 N2 C8 129.21(19) . . . 2_656 ?
N1 Ce1 N2 C8 -50.79(19) 2_656 . . 2_656 ?
O3 Ce1 N1 C5 -5.3(2) . . . . ?
O3 Ce1 N1 C5 -94.6(3) 2_656 . . . ?
O5 Ce1 N1 C5 81.9(3) . . . . ?
O5 Ce1 N1 C5 -153.5(2) 2_656 . . . ?
O1 Ce1 N1 C5 35.3(3) 2_656 . . . ?
O1 Ce1 N1 C5 178.9(3) . . . . ?
N1 Ce1 N1 C5 -52.2(2) 2_656 . . . ?
N2 Ce1 N1 C5 127.8(2) . . . . ?
O3 Ce1 N1 C1 -179.0(3) . . . . ?
O3 Ce1 N1 C1 91.8(3) 2_656 . . . ?
O5 Ce1 N1 C1 -91.8(3) . . . . ?
O5 Ce1 N1 C1 32.8(3) 2_656 . . . ?
O1 Ce1 N1 C1 -138.3(2) 2_656 . . . ?
O1 Ce1 N1 C1 5.3(2) . . . . ?
N1 Ce1 N1 C1 134.1(3) 2_656 . . . ?
N2 Ce1 N1 C1 -45.9(3) . . . . ?
C5 N1 C1 C2 0.5(5) . . . . ?
Ce1 N1 C1 C2 174.1(3) . . . . ?
C5 N1 C1 C6 179.5(3) . . . . ?
Ce1 N1 C1 C6 -6.9(4) . . . . ?
O3 Ce1 O3 C7 83.7(3) 2_656 . . . ?
O5 Ce1 O3 C7 -69.1(3) . . . . ?
O5 Ce1 O3 C7 141.9(3) 2_656 . . . ?
O1 Ce1 O3 C7 -147.0(3) 2_656 . . . ?
O1 Ce1 O3 C7 10.3(3) . . . . ?
N1 Ce1 O3 C7 5.6(3) . . . . ?
N1 Ce1 O3 C7 148.1(3) 2_656 . . . ?
N2 Ce1 O3 C7 -96.3(3) . . . . ?
O3 Ce1 O5 C11 -157.7(3) . . . . ?
O3 Ce1 O5 C11 143.1(3) 2_656 . . . ?
O5 Ce1 O5 C11 2.4(3) 2_656 . . . ?
O1 Ce1 O5 C11 -74.7(3) 2_656 . . . ?
O1 Ce1 O5 C11 73.9(3) . . . . ?
N1 Ce1 O5 C11 136.7(3) . . . . ?
N1 Ce1 O5 C11 -99.9(3) 2_656 . . . ?
N2 Ce1 O5 C11 2.4(3) . . . . ?
N3 Ag1 N4 C21 136.9(4) . . . . ?
N3 Ag1 N4 C17 -49.7(6) . . . . ?
O3 Ce1 O1 C6 -7.7(3) . . . . ?
O3 Ce1 O1 C6 -82.2(3) 2_656 . . . ?
O5 Ce1 O1 C6 67.7(3) . . . . ?
O5 Ce1 O1 C6 -163.6(3) 2_656 . . . ?
O1 Ce1 O1 C6 130.4(3) 2_656 . . . ?
N1 Ce1 O1 C6 -2.9(3) . . . . ?
N1 Ce1 O1 C6 -118.5(3) 2_656 . . . ?
N2 Ce1 O1 C6 130.4(3) . . . . ?
Ce1 O3 C7 O4 173.8(3) . . . . ?
Ce1 O3 C7 C5 -5.1(4) . . . . ?
C8 N2 C8 C9 -0.1(3) 2_656 . . . ?
Ce1 N2 C8 C9 179.9(3) . . . . ?
C8 N2 C8 C11 -179.8(3) 2_656 . . . ?
Ce1 N2 C8 C11 0.2(3) . . . . ?
Ce1 O5 C11 O6 177.5(3) . . . . ?
Ce1 O5 C11 C8 -3.1(5) . . . . ?
N2 C8 C11 O6 -179.0(4) . . . . ?
C9 C8 C11 O6 1.4(6) . . . . ?
N2 C8 C11 O5 1.6(5) . . . . ?
C9 C8 C11 O5 -178.1(4) . . . . ?
C1 N1 C5 C4 -1.2(5) . . . . ?
Ce1 N1 C5 C4 -174.9(3) . . . . ?
C1 N1 C5 C7 178.7(3) . . . . ?
Ce1 N1 C5 C7 5.0(4) . . . . ?
O4 C7 C5 N1 -179.5(3) . . . . ?
O3 C7 C5 N1 -0.5(5) . . . . ?
O4 C7 C5 C4 0.4(6) . . . . ?
O3 C7 C5 C4 179.4(4) . . . . ?
N4 Ag1 N3 C12 -178.4(4) . . . . ?
N4 Ag1 N3 C16 3.3(7) . . . . ?
Ce1 O1 C6 O2 -179.4(3) . . . . ?
Ce1 O1 C6 C1 0.6(5) . . . . ?
N1 C1 C6 O2 -175.7(4) . . . . ?
C2 C1 C6 O2 3.3(6) . . . . ?
N1 C1 C6 O1 4.3(5) . . . . ?
C2 C1 C6 O1 -176.8(4) . . . . ?
C21 N4 C17 C18 0.9(7) . . . . ?
Ag1 N4 C17 C18 -172.7(4) . . . . ?
C2 C3 C4 C5 -1.5(7) . . . . ?
N1 C5 C4 C3 1.8(6) . . . . ?
C7 C5 C4 C3 -178.1(4) . . . . ?
C16 N3 C12 C13 1.4(8) . . . . ?
Ag1 N3 C12 C13 -177.0(4) . . . . ?
C4 C3 C2 C1 0.8(7) . . . . ?
N1 C1 C2 C3 -0.3(6) . . . . ?
C6 C1 C2 C3 -179.2(4) . . . . ?
N4 C17 C18 C19 0.2(7) . . . . ?
C17 N4 C21 C20 -0.9(7) . . . . ?
Ag1 N4 C21 C20 172.8(4) . . . . ?
N4 C21 C20 C19 -0.3(8) . . . . ?
C21 C20 C19 C18 1.4(8) . . . . ?
C17 C18 C19 C20 -1.4(8) . . . . ?
C9 C10 C9 C8 -0.1(3) 2_656 . . . ?
N2 C8 C9 C10 0.2(5) . . . . ?
C11 C8 C9 C10 179.9(3) . . . . ?
C12 N3 C16 C15 0.0(9) . . . . ?
Ag1 N3 C16 C15 178.4(5) . . . . ?
N3 C16 C15 C14 -1.2(11) . . . . ?
C16 C15 C14 C13 0.9(11) . . . . ?
C15 C14 C13 C12 0.3(10) . . . . ?
N3 C12 C13 C14 -1.6(9) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.981
_refine_diff_density_min         -1.112
_refine_diff_density_rms         0.094


# Attachment 'all.cif'

data_1
_database_code_depnum_ccdc_archive 'CCDC 640099'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C14 H17 Ag N2 O13.50 Pr'
_chemical_formula_sum            'C14 H17 Ag N2 O13.50 Pr'
_chemical_formula_weight         678.08

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'
Pr Pr -0.2180 2.8214 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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

_cell_length_a                   14.8009(16)
_cell_length_b                   10.7176(11)
_cell_length_c                   12.8757(14)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.468(2)
_cell_angle_gamma                90.00
_cell_volume                     2014.7(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    294(2)
_cell_measurement_reflns_used    5515
_cell_measurement_theta_min      2.49
_cell_measurement_theta_max      26.30

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      NONE
_exptl_crystal_density_diffrn    2.236
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1316
_exptl_absorpt_coefficient_mu    3.437
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.523578
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      294(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            11124
_diffrn_reflns_av_R_equivalents  0.0477
_diffrn_reflns_av_sigmaI/netI    0.0469
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.36
_diffrn_reflns_theta_max         26.34
_reflns_number_total             4096
_reflns_number_gt                3418
_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 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+2.1663P] 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     SHELXL
_refine_ls_extinction_coef       0.00074(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         4096
_refine_ls_number_parameters     299
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0415
_refine_ls_R_factor_gt           0.0315
_refine_ls_wR_factor_ref         0.0832
_refine_ls_wR_factor_gt          0.0787
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.002
_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
Pr1 Pr 0.277788(15) 0.80542(2) 0.646194(16) 0.01817(10) Uani 1 1 d . . .
Ag1 Ag 0.37925(4) 1.27323(5) 0.62302(5) 0.07068(19) Uani 1 1 d . . .
O1 O 0.1603(2) 0.9354(3) 0.7175(2) 0.0344(8) Uani 1 1 d . . .
O2 O 0.0695(3) 1.1035(3) 0.7116(3) 0.0452(9) Uani 1 1 d . . .
O3 O 0.2825(2) 0.7895(3) 0.4507(2) 0.0268(7) Uani 1 1 d . . .
O4 O 0.2299(2) 0.8356(3) 0.2824(2) 0.0294(7) Uani 1 1 d . . .
O5 O 0.3498(2) 0.5973(3) 0.6280(3) 0.0314(7) Uani 1 1 d . . .
O6 O 0.4673(2) 0.4688(3) 0.6237(3) 0.0386(8) Uani 1 1 d . . .
O7 O 0.3569(2) 1.0074(3) 0.6289(2) 0.0313(7) Uani 1 1 d . . .
O8 O 0.4831(3) 1.1227(3) 0.6305(3) 0.0428(9) Uani 1 1 d . . .
O9 O 0.3628(2) 0.8619(3) 0.8246(2) 0.0395(9) Uani 1 1 d . . .
H9A H 0.3532 0.8165 0.8758 0.047 Uiso 1 1 d R . .
H9B H 0.4167 0.8909 0.8273 0.047 Uiso 1 1 d R . .
O10 O 0.1408(2) 0.6837(3) 0.5657(3) 0.0418(9) Uani 1 1 d . . .
H10A H 0.1278 0.6974 0.4992 0.050 Uiso 1 1 d R . .
H10B H 0.1246 0.6319 0.5967 0.050 Uiso 1 1 d R . .
O11 O 0.2494(4) 1.3813(4) 0.6229(5) 0.0835(15) Uani 1 1 d . . .
H11C H 0.2195 1.3831 0.5634 0.100 Uiso 1 1 d R . .
H11B H 0.2335 1.4154 0.6769 0.100 Uiso 1 1 d R . .
N1 N 0.1741(2) 0.9557(3) 0.5173(3) 0.0207(7) Uani 1 1 d . . .
N2 N 0.4503(3) 0.7971(3) 0.6267(3) 0.0235(8) Uani 1 1 d . . .
C1 C 0.1175(3) 1.0279(4) 0.6707(3) 0.0289(10) Uani 1 1 d . . .
C2 C 0.1251(3) 1.0438(4) 0.5562(3) 0.0233(9) Uani 1 1 d . . .
C3 C 0.0847(3) 1.1416(5) 0.4948(4) 0.0353(11) Uani 1 1 d . . .
H3 H 0.0525 1.2035 0.5238 0.042 Uiso 1 1 calc R . .
C4 C 0.0936(4) 1.1450(5) 0.3898(4) 0.0382(12) Uani 1 1 d . . .
H4 H 0.0670 1.2097 0.3472 0.046 Uiso 1 1 calc R . .
C5 C 0.1420(3) 1.0524(4) 0.3477(3) 0.0308(10) Uani 1 1 d . . .
H5 H 0.1482 1.0530 0.2770 0.037 Uiso 1 1 calc R . .
C6 C 0.1809(3) 0.9587(4) 0.4151(3) 0.0210(9) Uani 1 1 d . . .
C7 C 0.2354(3) 0.8523(4) 0.3788(3) 0.0208(9) Uani 1 1 d . . .
C8 C 0.4329(3) 0.5757(4) 0.6250(3) 0.0275(10) Uani 1 1 d . . .
C9 C 0.4941(3) 0.6879(4) 0.6239(4) 0.0263(10) Uani 1 1 d . . .
C10 C 0.5862(4) 0.6810(5) 0.6223(4) 0.0390(12) Uani 1 1 d . . .
H10 H 0.6148 0.6041 0.6192 0.047 Uiso 1 1 calc R . .
C11 C 0.6362(4) 0.7914(5) 0.6253(5) 0.0463(14) Uani 1 1 d . . .
H11A H 0.6990 0.7894 0.6251 0.056 Uiso 1 1 calc R . .
C12 C 0.5914(4) 0.9036(5) 0.6286(4) 0.0422(13) Uani 1 1 d . . .
H12 H 0.6234 0.9785 0.6313 0.051 Uiso 1 1 calc R . .
C13 C 0.4980(3) 0.9029(4) 0.6279(3) 0.0281(10) Uani 1 1 d . . .
C14 C 0.4423(3) 1.0205(4) 0.6290(3) 0.0282(10) Uani 1 1 d . . .
O12 O 0.0546(2) 0.7007(3) 0.3541(3) 0.0384(8) Uani 1 1 d . . .
H12A H 0.0785 0.6660 0.3057 0.046 Uiso 1 1 d R . .
H12B H 0.0381 0.7763 0.3441 0.046 Uiso 1 1 d R . .
O13 O 0.2111(6) 0.0568(9) 0.9215(6) 0.072(3) Uani 0.50 1 d P . .
H13A H 0.2222 0.1133 0.8804 0.086 Uiso 0.50 1 d PR . .
H13B H 0.2235 0.0714 0.9874 0.086 Uiso 0.50 1 d PR . .
O14 O 0.9963(4) 1.0452(5) 0.8833(4) 0.0617(16) Uani 0.75 1 d P . .
O14' O 0.9231(11) 0.9502(14) 0.9148(10) 0.045(4) Uani 0.25 1 d P . .


_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
Pr1 O7 2.488(3) . ?
Pr1 O10 2.489(3) . ?
Pr1 O5 2.499(3) . ?
Pr1 O4 2.504(3) 4_576 ?
Pr1 O9 2.505(3) . ?
Pr1 O1 2.517(3) . ?
Pr1 O3 2.536(3) . ?
Pr1 N2 2.608(4) . ?
Pr1 N1 2.620(3) . ?
Ag1 O8 2.220(4) . ?
Ag1 O11 2.243(5) . ?
Ag1 O6 2.466(3) 1_565 ?
O1 C1 1.273(5) . ?
O2 C1 1.250(5) . ?
O3 C7 1.258(5) . ?
O4 C7 1.244(5) . ?
O4 Pr1 2.504(3) 4_575 ?
O5 C8 1.258(5) . ?
O6 C8 1.255(5) . ?
O6 Ag1 2.466(3) 1_545 ?
O7 C14 1.273(6) . ?
O8 C14 1.249(5) . ?
O9 H9A 0.8501 . ?
O9 H9B 0.8504 . ?
O10 H10A 0.8589 . ?
O10 H10B 0.7460 . ?
O11 H11C 0.8200 . ?
O11 H11B 0.8527 . ?
N1 C6 1.337(5) . ?
N1 C2 1.337(5) . ?
N2 C13 1.334(6) . ?
N2 C9 1.342(5) . ?
C1 C2 1.508(6) . ?
C2 C3 1.387(6) . ?
C3 C4 1.380(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.385(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.389(6) . ?
C5 H5 0.9300 . ?
C6 C7 1.514(6) . ?
C8 C9 1.507(6) . ?
C9 C10 1.368(7) . ?
C10 C11 1.393(8) . ?
C10 H10 0.9300 . ?
C11 C12 1.378(8) . ?
C11 H11A 0.9300 . ?
C12 C13 1.380(7) . ?
C12 H12 0.9300 . ?
C13 C14 1.507(7) . ?
O12 H12A 0.8504 . ?
O12 H12B 0.8501 . ?
O13 H13A 0.8373 . ?
O13 H13B 0.8527 . ?
O14 O14' 1.588(17) . ?

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
O7 Pr1 O10 141.41(10) . . ?
O7 Pr1 O5 123.62(11) . . ?
O10 Pr1 O5 79.88(11) . . ?
O7 Pr1 O4 141.18(10) . 4_576 ?
O10 Pr1 O4 70.76(10) . 4_576 ?
O5 Pr1 O4 72.63(11) . 4_576 ?
O7 Pr1 O9 72.48(10) . . ?
O10 Pr1 O9 139.51(11) . . ?
O5 Pr1 O9 98.27(11) . . ?
O4 Pr1 O9 70.19(10) 4_576 . ?
O7 Pr1 O1 85.08(11) . . ?
O10 Pr1 O1 82.97(12) . . ?
O5 Pr1 O1 149.23(11) . . ?
O4 Pr1 O1 77.68(11) 4_576 . ?
O9 Pr1 O1 78.75(12) . . ?
O7 Pr1 O3 83.09(10) . . ?
O10 Pr1 O3 72.84(11) . . ?
O5 Pr1 O3 76.40(10) . . ?
O4 Pr1 O3 135.39(10) 4_576 . ?
O9 Pr1 O3 146.59(11) . . ?
O1 Pr1 O3 122.21(10) . . ?
O7 Pr1 N2 62.53(11) . . ?
O10 Pr1 N2 133.28(12) . . ?
O5 Pr1 N2 61.38(10) . . ?
O4 Pr1 N2 116.17(11) 4_576 . ?
O9 Pr1 N2 75.17(11) . . ?
O1 Pr1 N2 143.14(11) . . ?
O3 Pr1 N2 73.44(11) . . ?
O7 Pr1 N1 69.13(10) . . ?
O10 Pr1 N1 72.91(11) . . ?
O5 Pr1 N1 134.70(10) . . ?
O4 Pr1 N1 127.65(11) 4_576 . ?
O9 Pr1 N1 125.87(11) . . ?
O1 Pr1 N1 61.50(10) . . ?
O3 Pr1 N1 61.41(10) . . ?
N2 Pr1 N1 116.16(11) . . ?
O8 Ag1 O11 164.23(16) . . ?
O8 Ag1 O6 104.83(12) . 1_565 ?
O11 Ag1 O6 90.74(15) . 1_565 ?
C1 O1 Pr1 125.4(3) . . ?
C7 O3 Pr1 126.2(3) . . ?
C7 O4 Pr1 143.7(3) . 4_575 ?
C8 O5 Pr1 127.0(3) . . ?
C8 O6 Ag1 124.1(3) . 1_545 ?
C14 O7 Pr1 125.3(3) . . ?
C14 O8 Ag1 107.9(3) . . ?
Pr1 O9 H9A 116.8 . . ?
Pr1 O9 H9B 116.9 . . ?
H9A O9 H9B 116.9 . . ?
Pr1 O10 H10A 111.1 . . ?
Pr1 O10 H10B 118.6 . . ?
H10A O10 H10B 128.4 . . ?
Ag1 O11 H11C 110.1 . . ?
Ag1 O11 H11B 125.0 . . ?
H11C O11 H11B 124.9 . . ?
C6 N1 C2 119.0(4) . . ?
C6 N1 Pr1 120.5(3) . . ?
C2 N1 Pr1 119.6(3) . . ?
C13 N2 C9 119.0(4) . . ?
C13 N2 Pr1 119.6(3) . . ?
C9 N2 Pr1 121.1(3) . . ?
O2 C1 O1 125.4(4) . . ?
O2 C1 C2 118.6(4) . . ?
O1 C1 C2 116.1(4) . . ?
N1 C2 C3 122.0(4) . . ?
N1 C2 C1 114.8(3) . . ?
C3 C2 C1 123.2(4) . . ?
C4 C3 C2 118.4(4) . . ?
C4 C3 H3 120.8 . . ?
C2 C3 H3 120.8 . . ?
C3 C4 C5 120.2(4) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C4 C5 C6 117.5(4) . . ?
C4 C5 H5 121.2 . . ?
C6 C5 H5 121.2 . . ?
N1 C6 C5 122.8(4) . . ?
N1 C6 C7 114.5(4) . . ?
C5 C6 C7 122.7(4) . . ?
O4 C7 O3 126.4(4) . . ?
O4 C7 C6 117.7(4) . . ?
O3 C7 C6 115.8(4) . . ?
O6 C8 O5 124.7(4) . . ?
O6 C8 C9 118.9(4) . . ?
O5 C8 C9 116.4(4) . . ?
N2 C9 C10 122.3(4) . . ?
N2 C9 C8 113.7(4) . . ?
C10 C9 C8 124.0(4) . . ?
C9 C10 C11 118.7(5) . . ?
C9 C10 H10 120.7 . . ?
C11 C10 H10 120.7 . . ?
C12 C11 C10 119.1(5) . . ?
C12 C11 H11A 120.5 . . ?
C10 C11 H11A 120.5 . . ?
C11 C12 C13 118.8(5) . . ?
C11 C12 H12 120.6 . . ?
C13 C12 H12 120.6 . . ?
N2 C13 C12 122.2(4) . . ?
N2 C13 C14 114.9(4) . . ?
C12 C13 C14 122.9(4) . . ?
O8 C14 O7 125.1(4) . . ?
O8 C14 C13 118.0(4) . . ?
O7 C14 C13 116.9(4) . . ?
H12A O12 H12B 116.6 . . ?
H13A O13 H13B 117.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O7 Pr1 O1 C1 55.1(4) . . . . ?
O10 Pr1 O1 C1 -88.1(4) . . . . ?
O5 Pr1 O1 C1 -144.6(3) . . . . ?
O4 Pr1 O1 C1 -159.9(4) 4_576 . . . ?
O9 Pr1 O1 C1 128.2(4) . . . . ?
O3 Pr1 O1 C1 -23.6(4) . . . . ?
N2 Pr1 O1 C1 82.6(4) . . . . ?
N1 Pr1 O1 C1 -13.8(3) . . . . ?
O7 Pr1 O3 C7 -72.0(3) . . . . ?
O10 Pr1 O3 C7 77.5(3) . . . . ?
O5 Pr1 O3 C7 160.9(4) . . . . ?
O4 Pr1 O3 C7 114.0(3) 4_576 . . . ?
O9 Pr1 O3 C7 -114.7(4) . . . . ?
O1 Pr1 O3 C7 7.7(4) . . . . ?
N2 Pr1 O3 C7 -135.3(4) . . . . ?
N1 Pr1 O3 C7 -2.0(3) . . . . ?
O7 Pr1 O5 C8 11.5(4) . . . . ?
O10 Pr1 O5 C8 158.1(4) . . . . ?
O4 Pr1 O5 C8 -129.1(4) 4_576 . . . ?
O9 Pr1 O5 C8 -62.9(4) . . . . ?
O1 Pr1 O5 C8 -144.8(3) . . . . ?
O3 Pr1 O5 C8 83.4(4) . . . . ?
N2 Pr1 O5 C8 5.1(4) . . . . ?
N1 Pr1 O5 C8 104.7(4) . . . . ?
O10 Pr1 O7 C14 -133.1(3) . . . . ?
O5 Pr1 O7 C14 -13.5(4) . . . . ?
O4 Pr1 O7 C14 91.3(4) 4_576 . . . ?
O9 Pr1 O7 C14 74.9(3) . . . . ?
O1 Pr1 O7 C14 154.6(3) . . . . ?
O3 Pr1 O7 C14 -82.1(3) . . . . ?
N2 Pr1 O7 C14 -7.2(3) . . . . ?
N1 Pr1 O7 C14 -144.0(4) . . . . ?
O11 Ag1 O8 C14 10.2(8) . . . . ?
O6 Ag1 O8 C14 -179.2(3) 1_565 . . . ?
O7 Pr1 N1 C6 87.1(3) . . . . ?
O10 Pr1 N1 C6 -85.8(3) . . . . ?
O5 Pr1 N1 C6 -30.1(4) . . . . ?
O4 Pr1 N1 C6 -133.5(3) 4_576 . . . ?
O9 Pr1 N1 C6 134.8(3) . . . . ?
O1 Pr1 N1 C6 -177.0(3) . . . . ?
O3 Pr1 N1 C6 -6.4(3) . . . . ?
N2 Pr1 N1 C6 44.6(3) . . . . ?
O7 Pr1 N1 C2 -82.0(3) . . . . ?
O10 Pr1 N1 C2 105.1(3) . . . . ?
O5 Pr1 N1 C2 160.9(3) . . . . ?
O4 Pr1 N1 C2 57.4(3) 4_576 . . . ?
O9 Pr1 N1 C2 -34.3(4) . . . . ?
O1 Pr1 N1 C2 13.9(3) . . . . ?
O3 Pr1 N1 C2 -175.5(3) . . . . ?
N2 Pr1 N1 C2 -124.5(3) . . . . ?
O7 Pr1 N2 C13 6.7(3) . . . . ?
O10 Pr1 N2 C13 142.8(3) . . . . ?
O5 Pr1 N2 C13 -179.3(3) . . . . ?
O4 Pr1 N2 C13 -129.6(3) 4_576 . . . ?
O9 Pr1 N2 C13 -71.0(3) . . . . ?
O1 Pr1 N2 C13 -24.6(4) . . . . ?
O3 Pr1 N2 C13 97.5(3) . . . . ?
N1 Pr1 N2 C13 52.1(3) . . . . ?
O7 Pr1 N2 C9 -178.6(4) . . . . ?
O10 Pr1 N2 C9 -42.5(4) . . . . ?
O5 Pr1 N2 C9 -4.6(3) . . . . ?
O4 Pr1 N2 C9 45.1(3) 4_576 . . . ?
O9 Pr1 N2 C9 103.7(3) . . . . ?
O1 Pr1 N2 C9 150.1(3) . . . . ?
O3 Pr1 N2 C9 -87.8(3) . . . . ?
N1 Pr1 N2 C9 -133.2(3) . . . . ?
Pr1 O1 C1 O2 -168.9(4) . . . . ?
Pr1 O1 C1 C2 12.3(6) . . . . ?
C6 N1 C2 C3 -3.1(6) . . . . ?
Pr1 N1 C2 C3 166.1(3) . . . . ?
C6 N1 C2 C1 176.8(4) . . . . ?
Pr1 N1 C2 C1 -14.0(5) . . . . ?
O2 C1 C2 N1 -177.0(4) . . . . ?
O1 C1 C2 N1 1.9(6) . . . . ?
O2 C1 C2 C3 2.9(7) . . . . ?
O1 C1 C2 C3 -178.2(4) . . . . ?
N1 C2 C3 C4 1.9(7) . . . . ?
C1 C2 C3 C4 -177.9(5) . . . . ?
C2 C3 C4 C5 -0.1(8) . . . . ?
C3 C4 C5 C6 -0.5(8) . . . . ?
C2 N1 C6 C5 2.5(6) . . . . ?
Pr1 N1 C6 C5 -166.6(3) . . . . ?
C2 N1 C6 C7 -178.2(4) . . . . ?
Pr1 N1 C6 C7 12.7(5) . . . . ?
C4 C5 C6 N1 -0.7(7) . . . . ?
C4 C5 C6 C7 180.0(4) . . . . ?
Pr1 O4 C7 O3 5.3(8) 4_575 . . . ?
Pr1 O4 C7 C6 -175.1(3) 4_575 . . . ?
Pr1 O3 C7 O4 -171.5(3) . . . . ?
Pr1 O3 C7 C6 8.9(5) . . . . ?
N1 C6 C7 O4 166.6(4) . . . . ?
C5 C6 C7 O4 -14.1(6) . . . . ?
N1 C6 C7 O3 -13.8(5) . . . . ?
C5 C6 C7 O3 165.5(4) . . . . ?
Ag1 O6 C8 O5 1.4(7) 1_545 . . . ?
Ag1 O6 C8 C9 -179.2(3) 1_545 . . . ?
Pr1 O5 C8 O6 174.3(3) . . . . ?
Pr1 O5 C8 C9 -5.0(6) . . . . ?
C13 N2 C9 C10 0.1(7) . . . . ?
Pr1 N2 C9 C10 -174.6(4) . . . . ?
C13 N2 C9 C8 178.9(4) . . . . ?
Pr1 N2 C9 C8 4.2(5) . . . . ?
O6 C8 C9 N2 -179.2(4) . . . . ?
O5 C8 C9 N2 0.2(6) . . . . ?
O6 C8 C9 C10 -0.4(7) . . . . ?
O5 C8 C9 C10 179.0(5) . . . . ?
N2 C9 C10 C11 1.0(8) . . . . ?
C8 C9 C10 C11 -177.7(5) . . . . ?
C9 C10 C11 C12 -0.7(9) . . . . ?
C10 C11 C12 C13 -0.5(9) . . . . ?
C9 N2 C13 C12 -1.5(7) . . . . ?
Pr1 N2 C13 C12 173.3(4) . . . . ?
C9 N2 C13 C14 178.9(4) . . . . ?
Pr1 N2 C13 C14 -6.3(5) . . . . ?
C11 C12 C13 N2 1.7(8) . . . . ?
C11 C12 C13 C14 -178.7(5) . . . . ?
Ag1 O8 C14 O7 -3.4(6) . . . . ?
Ag1 O8 C14 C13 177.0(3) . . . . ?
Pr1 O7 C14 O8 -172.8(3) . . . . ?
Pr1 O7 C14 C13 6.9(5) . . . . ?
N2 C13 C14 O8 179.8(4) . . . . ?
C12 C13 C14 O8 0.1(7) . . . . ?
N2 C13 C14 O7 0.1(6) . . . . ?
C12 C13 C14 O7 -179.5(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        26.34
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.399
_refine_diff_density_min         -1.144
_refine_diff_density_rms         0.128

#===END

data_4
_database_code_depnum_ccdc_archive 'CCDC 640100'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C14 H18 Ag N2 O14 Sm'
_chemical_formula_weight         696.52

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'
Sm Sm -0.1638 3.4418 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   14.621(2)
_cell_length_b                   7.3491(10)
_cell_length_c                   19.765(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.776(2)
_cell_angle_gamma                90.00
_cell_volume                     2098.9(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    294(2)
_cell_measurement_reflns_used    5795
_cell_measurement_theta_min      2.82
_cell_measurement_theta_max      26.40

_exptl_crystal_description       PRISM
_exptl_crystal_colour            COLORLESS
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      NONE
_exptl_crystal_density_diffrn    2.204
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1348
_exptl_absorpt_coefficient_mu    3.779
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.626759
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_process_details   SADBAS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      294(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            11414
_diffrn_reflns_av_R_equivalents  0.0431
_diffrn_reflns_av_sigmaI/netI    0.0415
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.62
_diffrn_reflns_theta_max         26.40
_reflns_number_total             4293
_reflns_number_gt                3638
_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 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)+(0.0568P)²+14.8708P] 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     SHELXL
_refine_ls_extinction_coef       0.0012(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         4293
_refine_ls_number_parameters     296
_refine_ls_number_restraints     33
_refine_ls_R_factor_all          0.0540
_refine_ls_R_factor_gt           0.0446
_refine_ls_wR_factor_ref         0.1143
_refine_ls_wR_factor_gt          0.1085
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_restrained_S_all      1.827
_refine_ls_shift/su_max          0.054
_refine_ls_shift/su_mean         0.001

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
Sm1 Sm 0.29579(4) 0.45879(7) 0.13841(3) 0.0200(2) Uani 1 1 d U . .
Ag1 Ag 0.37926(11) -0.0024(2) 0.00728(12) 0.0923(6) Uani 1 1 d U . .
O1 O 0.1969(6) 0.7274(11) 0.1381(4) 0.0300(18) Uani 1 1 d . . .
O2 O 0.0954(7) 0.9301(12) 0.0864(5) 0.042(2) Uani 1 1 d . . .
O3 O 0.2936(6) 0.2450(12) 0.0427(4) 0.035(2) Uani 1 1 d . . .
O4 O 0.2371(8) 0.1269(14) -0.0569(5) 0.049(3) Uani 1 1 d . . .
O5 O 0.3693(6) 0.6740(12) 0.0682(4) 0.034(2) Uani 1 1 d . . .
O6 O 0.4945(7) 0.8029(13) 0.0379(6) 0.052(3) Uani 1 1 d . . .
O7 O 0.3676(5) 0.1820(11) 0.1936(4) 0.0304(18) Uani 1 1 d . . .
O8 O 0.4831(6) -0.0184(12) 0.2148(6) 0.047(3) Uani 1 1 d . . .
O9 O 0.1621(6) 0.2546(11) 0.1446(4) 0.0306(18) Uani 1 1 d D . .
H9A H 0.158(9) 0.145(5) 0.131(5) 0.037 Uiso 1 1 d D . .
H9B H 0.133(8) 0.333(10) 0.118(5) 0.037 Uiso 1 1 d D . .
O10 O 0.2473(6) 0.4511(11) 0.2515(4) 0.0299(18) Uani 1 1 d . . .
H10A H 0.2132 0.5334 0.2648 0.036 Uiso 1 1 d R . .
H10B H 0.2773 0.3842 0.2824 0.036 Uiso 1 1 d R . .
O11 O 0.3962(6) 0.6575(11) 0.2201(4) 0.0326(19) Uani 1 1 d . . .
H11A H 0.4080 0.7679 0.2115 0.039 Uiso 1 1 d R . .
H11B H 0.4398 0.5976 0.2439 0.039 Uiso 1 1 d R . .
N1 N 0.1782(6) 0.5181(12) 0.0294(5) 0.0229(19) Uani 1 1 d . . .
N2 N 0.4643(6) 0.3972(13) 0.1265(5) 0.025(2) Uani 1 1 d . . .
C1 C 0.1404(8) 0.7865(16) 0.0883(6) 0.028(2) Uani 1 1 d . . .
C2 C 0.1262(8) 0.6675(15) 0.0247(6) 0.025(2) Uani 1 1 d . . .
C3 C 0.0642(9) 0.7082(18) -0.0329(6) 0.037(3) Uani 1 1 d . . .
H3 H 0.0282 0.8128 -0.0347 0.044 Uiso 1 1 calc R . .
C4 C 0.0564(10) 0.590(2) -0.0883(7) 0.044(3) Uani 1 1 d . . .
H4 H 0.0160 0.6161 -0.1283 0.053 Uiso 1 1 calc R . .
C5 C 0.1098(9) 0.4331(19) -0.0834(7) 0.038(3) Uani 1 1 d . . .
H5 H 0.1047 0.3504 -0.1194 0.045 Uiso 1 1 calc R . .
C6 C 0.1710(8) 0.4024(16) -0.0233(6) 0.026(2) Uani 1 1 d . . .
C7 C 0.2369(9) 0.2461(16) -0.0124(6) 0.031(3) Uani 1 1 d . . .
C8 C 0.4552(9) 0.6770(16) 0.0652(6) 0.032(3) Uani 1 1 d . . .
C9 C 0.5123(9) 0.5183(16) 0.0953(6) 0.030(3) Uani 1 1 d . . .
C10 C 0.6034(10) 0.4953(19) 0.0900(8) 0.044(3) Uani 1 1 d . . .
H10 H 0.6345 0.5813 0.0676 0.053 Uiso 1 1 calc R . .
C11 C 0.6488(10) 0.343(2) 0.1184(9) 0.053(4) Uani 1 1 d . . .
H11 H 0.7113 0.3263 0.1163 0.064 Uiso 1 1 calc R . .
C12 C 0.5999(9) 0.215(2) 0.1503(8) 0.045(4) Uani 1 1 d . . .
H12 H 0.6285 0.1097 0.1687 0.054 Uiso 1 1 calc R . .
C13 C 0.5082(8) 0.2485(16) 0.1540(6) 0.029(3) Uani 1 1 d . . .
C14 C 0.4488(8) 0.1253(16) 0.1906(6) 0.030(3) Uani 1 1 d . . .
O12 O 0.8035(8) 0.9665(16) 0.1914(6) 0.057(3) Uani 1 1 d U . .
H12A H 0.7789 0.9942 0.1461 0.069 Uiso 1 1 d R . .
H12B H 0.8268 0.8504 0.2023 0.069 Uiso 1 1 d R . .
O13 O 0.9914(8) 0.9464(17) 0.1980(7) 0.067(3) Uani 1 1 d U . .
H13A H 0.9997 0.9413 0.1544 0.080 Uiso 1 1 d R . .
H13B H 0.9523 1.0394 0.2123 0.080 Uiso 1 1 d R . .
O14 O 0.8358(10) 0.326(2) 0.2452(7) 0.081(4) Uani 1 1 d U . .
H14A H 0.8843 0.2840 0.2716 0.098 Uiso 1 1 d R . .
H14B H 0.8156 0.2627 0.2093 0.098 Uiso 1 1 d R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sm1 O1 2.446(8) . ?
Sm1 O10 2.446(8) . ?
Sm1 O5 2.457(8) . ?
Sm1 O3 2.455(8) . ?
Sm1 O7 2.465(8) . ?
Sm1 O9 2.482(8) . ?
Sm1 O11 2.485(8) . ?
Sm1 N2 2.551(9) . ?
Sm1 N1 2.581(9) . ?
Sm1 H9B 2.52(12) . ?
Ag1 O6 2.223(10) 1_545 ?
Ag1 O3 2.374(8) . ?
Ag1 O4 2.455(10) . ?
O1 C1 1.263(14) . ?
O2 C1 1.240(14) . ?
O3 C7 1.264(15) . ?
O4 C7 1.242(15) . ?
O5 C8 1.267(15) . ?
O6 C8 1.253(15) . ?
O6 Ag1 2.223(10) 1_565 ?
O7 C14 1.269(14) . ?
O8 C14 1.234(14) . ?
O9 H9A 0.852(19) . ?
O9 H9B 0.850(18) . ?
O10 H10A 0.8506 . ?
O10 H10B 0.8517 . ?
O11 H11A 0.8519 . ?
O11 H11B 0.8540 . ?
N1 C6 1.337(14) . ?
N1 C2 1.330(14) . ?
N2 C9 1.341(15) . ?
N2 C13 1.340(15) . ?
C1 C2 1.519(15) . ?
C2 C3 1.376(16) . ?
C3 C4 1.388(18) . ?
C3 H3 0.9300 . ?
C4 C5 1.388(19) . ?
C4 H4 0.9300 . ?
C5 C6 1.393(17) . ?
C5 H5 0.9300 . ?
C6 C7 1.493(16) . ?
C8 C9 1.503(16) . ?
C9 C10 1.363(18) . ?
C10 C11 1.375(19) . ?
C10 H10 0.9300 . ?
C11 C12 1.388(19) . ?
C11 H11 0.9300 . ?
C12 C13 1.376(17) . ?
C12 H12 0.9300 . ?
C13 C14 1.513(15) . ?
O12 H12A 0.9346 . ?
O12 H12B 0.9317 . ?
O13 H13A 0.8901 . ?
O13 H13B 0.9605 . ?
O14 H14A 0.8694 . ?
O14 H14B 0.8623 . ?

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
O1 Sm1 O10 76.5(3) . . ?
O1 Sm1 O5 77.8(3) . . ?
O10 Sm1 O5 138.0(3) . . ?
O1 Sm1 O3 125.2(3) . . ?
O10 Sm1 O3 135.9(3) . . ?
O5 Sm1 O3 86.1(3) . . ?
O1 Sm1 O7 151.4(3) . . ?
O10 Sm1 O7 74.9(3) . . ?
O5 Sm1 O7 126.0(3) . . ?
O3 Sm1 O7 76.5(3) . . ?
O1 Sm1 O9 91.1(3) . . ?
O10 Sm1 O9 66.5(3) . . ?
O5 Sm1 O9 146.4(3) . . ?
O3 Sm1 O9 74.5(3) . . ?
O7 Sm1 O9 76.4(3) . . ?
O1 Sm1 O11 79.5(3) . . ?
O10 Sm1 O11 69.2(3) . . ?
O5 Sm1 O11 73.9(3) . . ?
O3 Sm1 O11 144.5(3) . . ?
O7 Sm1 O11 91.6(3) . . ?
O9 Sm1 O11 135.6(3) . . ?
O1 Sm1 N2 136.2(3) . . ?
O10 Sm1 N2 119.9(3) . . ?
O5 Sm1 N2 63.3(3) . . ?
O3 Sm1 N2 73.4(3) . . ?
O7 Sm1 N2 62.8(3) . . ?
O9 Sm1 N2 132.5(3) . . ?
O11 Sm1 N2 71.4(3) . . ?
O1 Sm1 N1 62.8(3) . . ?
O10 Sm1 N1 121.2(3) . . ?
O5 Sm1 N1 73.3(3) . . ?
O3 Sm1 N1 62.4(3) . . ?
O7 Sm1 N1 133.9(3) . . ?
O9 Sm1 N1 73.4(3) . . ?
O11 Sm1 N1 134.1(3) . . ?
N2 Sm1 N1 118.9(3) . . ?
O1 Sm1 H9B 75.7(16) . . ?
O10 Sm1 H9B 75(2) . . ?
O5 Sm1 H9B 128.8(14) . . ?
O3 Sm1 H9B 75(3) . . ?
O7 Sm1 H9B 95.5(8) . . ?
O9 Sm1 H9B 19.6(7) . . ?
O11 Sm1 H9B 140(3) . . ?
N2 Sm1 H9B 145(2) . . ?
N1 Sm1 H9B 55.7(15) . . ?
O6 Ag1 O3 145.6(4) 1_545 . ?
O6 Ag1 O4 159.5(4) 1_545 . ?
O3 Ag1 O4 54.0(3) . . ?
C1 O1 Sm1 126.6(7) . . ?
C7 O3 Ag1 93.2(7) . . ?
C7 O3 Sm1 126.1(7) . . ?
Ag1 O3 Sm1 140.5(4) . . ?
C7 O4 Ag1 90.0(8) . . ?
C8 O5 Sm1 124.1(7) . . ?
C8 O6 Ag1 102.4(8) . 1_565 ?
C14 O7 Sm1 126.1(7) . . ?
Sm1 O9 H9A 126(9) . . ?
Sm1 O9 H9B 83(9) . . ?
H9A O9 H9B 116(4) . . ?
Sm1 O10 H10A 122.1 . . ?
Sm1 O10 H10B 118.7 . . ?
H10A O10 H10B 116.8 . . ?
Sm1 O11 H11A 123.2 . . ?
Sm1 O11 H11B 111.8 . . ?
H11A O11 H11B 116.3 . . ?
C6 N1 C2 119.7(10) . . ?
C6 N1 Sm1 120.4(7) . . ?
C2 N1 Sm1 119.9(7) . . ?
C9 N2 C13 118.4(10) . . ?
C9 N2 Sm1 120.3(7) . . ?
C13 N2 Sm1 121.2(7) . . ?
O2 C1 O1 126.7(11) . . ?
O2 C1 C2 117.4(11) . . ?
O1 C1 C2 115.9(10) . . ?
N1 C2 C3 122.3(10) . . ?
N1 C2 C1 114.4(10) . . ?
C3 C2 C1 123.3(10) . . ?
C2 C3 C4 118.8(12) . . ?
C2 C3 H3 120.6 . . ?
C4 C3 H3 120.6 . . ?
C5 C4 C3 119.1(12) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
C4 C5 C6 118.4(12) . . ?
C4 C5 H5 120.8 . . ?
C6 C5 H5 120.8 . . ?
N1 C6 C5 121.6(11) . . ?
N1 C6 C7 113.9(10) . . ?
C5 C6 C7 124.4(11) . . ?
O4 C7 O3 122.3(12) . . ?
O4 C7 C6 120.7(12) . . ?
O3 C7 C6 117.0(10) . . ?
O6 C8 O5 123.8(11) . . ?
O6 C8 C9 118.7(11) . . ?
O5 C8 C9 117.5(10) . . ?
N2 C9 C10 122.6(11) . . ?
N2 C9 C8 113.6(10) . . ?
C10 C9 C8 123.8(11) . . ?
C9 C10 C11 119.1(12) . . ?
C9 C10 H10 120.4 . . ?
C11 C10 H10 120.5 . . ?
C10 C11 C12 119.0(12) . . ?
C10 C11 H11 120.5 . . ?
C12 C11 H11 120.5 . . ?
C13 C12 C11 118.6(12) . . ?
C13 C12 H12 120.7 . . ?
C11 C12 H12 120.7 . . ?
N2 C13 C12 122.2(11) . . ?
N2 C13 C14 114.0(10) . . ?
C12 C13 C14 123.7(11) . . ?
O8 C14 O7 126.2(11) . . ?
O8 C14 C13 118.0(10) . . ?
O7 C14 C13 115.8(10) . . ?
H12A O12 H12B 119.6 . . ?
H13A O13 H13B 119.4 . . ?
H14A O14 H14B 116.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O10 Sm1 O1 C1 -141.7(10) . . . . ?
O5 Sm1 O1 C1 71.8(10) . . . . ?
O3 Sm1 O1 C1 -4.4(11) . . . . ?
O7 Sm1 O1 C1 -138.9(9) . . . . ?
O9 Sm1 O1 C1 -76.2(10) . . . . ?
O11 Sm1 O1 C1 147.4(10) . . . . ?
N2 Sm1 O1 C1 98.9(10) . . . . ?
N1 Sm1 O1 C1 -5.5(9) . . . . ?
O6 Ag1 O3 C7 -174.8(7) 1_545 . . . ?
O4 Ag1 O3 C7 -3.6(7) . . . . ?
O6 Ag1 O3 Sm1 8.7(10) 1_545 . . . ?
O4 Ag1 O3 Sm1 179.9(8) . . . . ?
O1 Sm1 O3 C7 -6.1(11) . . . . ?
O10 Sm1 O3 C7 102.5(10) . . . . ?
O5 Sm1 O3 C7 -78.2(10) . . . . ?
O7 Sm1 O3 C7 153.4(10) . . . . ?
O9 Sm1 O3 C7 74.1(10) . . . . ?
O11 Sm1 O3 C7 -133.2(9) . . . . ?
N2 Sm1 O3 C7 -141.4(10) . . . . ?
N1 Sm1 O3 C7 -5.0(9) . . . . ?
O1 Sm1 O3 Ag1 169.6(5) . . . . ?
O10 Sm1 O3 Ag1 -81.9(8) . . . . ?
O5 Sm1 O3 Ag1 97.5(7) . . . . ?
O7 Sm1 O3 Ag1 -31.0(6) . . . . ?
O9 Sm1 O3 Ag1 -110.3(7) . . . . ?
O11 Sm1 O3 Ag1 42.5(9) . . . . ?
N2 Sm1 O3 Ag1 34.2(6) . . . . ?
N1 Sm1 O3 Ag1 170.7(8) . . . . ?
O6 Ag1 O4 C7 169.4(9) 1_545 . . . ?
O3 Ag1 O4 C7 3.7(7) . . . . ?
O1 Sm1 O5 C8 149.1(10) . . . . ?
O10 Sm1 O5 C8 95.7(10) . . . . ?
O3 Sm1 O5 C8 -83.7(10) . . . . ?
O7 Sm1 O5 C8 -13.4(11) . . . . ?
O9 Sm1 O5 C8 -137.9(9) . . . . ?
O11 Sm1 O5 C8 66.6(10) . . . . ?
N2 Sm1 O5 C8 -10.3(9) . . . . ?
N1 Sm1 O5 C8 -145.9(10) . . . . ?
O1 Sm1 O7 C14 -142.1(9) . . . . ?
O10 Sm1 O7 C14 -139.3(10) . . . . ?
O5 Sm1 O7 C14 -0.2(11) . . . . ?
O3 Sm1 O7 C14 74.8(10) . . . . ?
O9 Sm1 O7 C14 151.8(10) . . . . ?
O11 Sm1 O7 C14 -71.4(10) . . . . ?
N2 Sm1 O7 C14 -3.3(10) . . . . ?
N1 Sm1 O7 C14 101.7(10) . . . . ?
O1 Sm1 N1 C6 -178.2(9) . . . . ?
O10 Sm1 N1 C6 -126.3(8) . . . . ?
O5 Sm1 N1 C6 97.2(9) . . . . ?
O3 Sm1 N1 C6 2.8(8) . . . . ?
O7 Sm1 N1 C6 -27.0(10) . . . . ?
O9 Sm1 N1 C6 -78.2(8) . . . . ?
O11 Sm1 N1 C6 143.3(8) . . . . ?
N2 Sm1 N1 C6 51.7(9) . . . . ?
O1 Sm1 N1 C2 3.8(8) . . . . ?
O10 Sm1 N1 C2 55.7(9) . . . . ?
O5 Sm1 N1 C2 -80.8(8) . . . . ?
O3 Sm1 N1 C2 -175.2(9) . . . . ?
O7 Sm1 N1 C2 155.0(7) . . . . ?
O9 Sm1 N1 C2 103.8(8) . . . . ?
O11 Sm1 N1 C2 -34.7(10) . . . . ?
N2 Sm1 N1 C2 -126.3(8) . . . . ?
O1 Sm1 N2 C9 -22.7(11) . . . . ?
O10 Sm1 N2 C9 -125.0(9) . . . . ?
O5 Sm1 N2 C9 7.2(8) . . . . ?
O3 Sm1 N2 C9 101.2(9) . . . . ?
O7 Sm1 N2 C9 -175.6(10) . . . . ?
O9 Sm1 N2 C9 150.6(8) . . . . ?
O11 Sm1 N2 C9 -73.7(9) . . . . ?
N1 Sm1 N2 C9 57.0(10) . . . . ?
O1 Sm1 N2 C13 153.9(8) . . . . ?
O10 Sm1 N2 C13 51.7(10) . . . . ?
O5 Sm1 N2 C13 -176.2(10) . . . . ?
O3 Sm1 N2 C13 -82.1(9) . . . . ?
O7 Sm1 N2 C13 1.0(9) . . . . ?
O9 Sm1 N2 C13 -32.7(11) . . . . ?
O11 Sm1 N2 C13 102.9(9) . . . . ?
N1 Sm1 N2 C13 -126.3(9) . . . . ?
Sm1 O1 C1 O2 -174.0(10) . . . . ?
Sm1 O1 C1 C2 6.4(15) . . . . ?
C6 N1 C2 C3 0.2(17) . . . . ?
Sm1 N1 C2 C3 178.2(9) . . . . ?
C6 N1 C2 C1 179.5(10) . . . . ?
Sm1 N1 C2 C1 -2.5(13) . . . . ?
O2 C1 C2 N1 178.3(11) . . . . ?
O1 C1 C2 N1 -2.1(15) . . . . ?
O2 C1 C2 C3 -2.5(18) . . . . ?
O1 C1 C2 C3 177.2(12) . . . . ?
N1 C2 C3 C4 -1(2) . . . . ?
C1 C2 C3 C4 -180.0(13) . . . . ?
C2 C3 C4 C5 1(2) . . . . ?
C3 C4 C5 C6 -2(2) . . . . ?
C2 N1 C6 C5 -0.5(17) . . . . ?
Sm1 N1 C6 C5 -178.5(9) . . . . ?
C2 N1 C6 C7 176.9(10) . . . . ?
Sm1 N1 C6 C7 -1.1(13) . . . . ?
C4 C5 C6 N1 1(2) . . . . ?
C4 C5 C6 C7 -175.9(12) . . . . ?
Ag1 O4 C7 O3 -6.6(13) . . . . ?
Ag1 O4 C7 C6 170.9(10) . . . . ?
Ag1 O3 C7 O4 6.9(13) . . . . ?
Sm1 O3 C7 O4 -175.9(9) . . . . ?
Ag1 O3 C7 C6 -170.8(9) . . . . ?
Sm1 O3 C7 C6 6.4(15) . . . . ?
N1 C6 C7 O4 179.2(12) . . . . ?
C5 C6 C7 O4 -4(2) . . . . ?
N1 C6 C7 O3 -3.1(16) . . . . ?
C5 C6 C7 O3 174.2(12) . . . . ?
Ag1 O6 C8 O5 2.9(16) 1_565 . . . ?
Ag1 O6 C8 C9 -178.0(9) 1_565 . . . ?
Sm1 O5 C8 O6 -168.7(10) . . . . ?
Sm1 O5 C8 C9 12.2(15) . . . . ?
C13 N2 C9 C10 0.5(19) . . . . ?
Sm1 N2 C9 C10 177.3(11) . . . . ?
C13 N2 C9 C8 178.8(11) . . . . ?
Sm1 N2 C9 C8 -4.5(14) . . . . ?
O6 C8 C9 N2 176.3(12) . . . . ?
O5 C8 C9 N2 -4.5(17) . . . . ?
O6 C8 C9 C10 -5(2) . . . . ?
O5 C8 C9 C10 173.7(14) . . . . ?
N2 C9 C10 C11 -1(2) . . . . ?
C8 C9 C10 C11 -178.8(14) . . . . ?
C9 C10 C11 C12 1(3) . . . . ?
C10 C11 C12 C13 -2(3) . . . . ?
C9 N2 C13 C12 -1.0(19) . . . . ?
Sm1 N2 C13 C12 -177.7(11) . . . . ?
C9 N2 C13 C14 177.4(11) . . . . ?
Sm1 N2 C13 C14 0.7(14) . . . . ?
C11 C12 C13 N2 2(2) . . . . ?
C11 C12 C13 C14 -176.6(14) . . . . ?
Sm1 O7 C14 O8 -175.5(11) . . . . ?
Sm1 O7 C14 C13 4.8(16) . . . . ?
N2 C13 C14 O8 177.0(12) . . . . ?
C12 C13 C14 O8 -5(2) . . . . ?
N2 C13 C14 O7 -3.4(17) . . . . ?
C12 C13 C14 O7 175.0(14) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        26.40
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         2.529
_refine_diff_density_min         -2.722
_refine_diff_density_rms         0.177

#===END

data_7
_database_code_depnum_ccdc_archive 'CCDC 640101'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C14 H18 Ag Dy N2 O14'
_chemical_formula_weight         708.67

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   14.5183(17)
_cell_length_b                   7.3640(9)
_cell_length_c                   19.696(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.020(2)
_cell_angle_gamma                90.00
_cell_volume                     2079.7(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4770
_cell_measurement_theta_min      2.96
_cell_measurement_theta_max      26.29

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      NONE
_exptl_crystal_density_diffrn    2.263
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1364
_exptl_absorpt_coefficient_mu    4.583
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.643503
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_process_details   SADABS

_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 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            11301
_diffrn_reflns_av_R_equivalents  0.0390
_diffrn_reflns_av_sigmaI/netI    0.0484
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.63
_diffrn_reflns_theta_max         26.36
_reflns_number_total             4220
_reflns_number_gt                3369
_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 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)+(0.0167P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4220
_refine_ls_number_parameters     299
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.0420
_refine_ls_R_factor_gt           0.0283
_refine_ls_wR_factor_ref         0.0588
_refine_ls_wR_factor_gt          0.0557
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_restrained_S_all      1.283
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.204092(17) 0.95957(3) 0.361520(12) 0.01880(8) Uani 1 1 d . . .
Ag1 Ag 0.1131(6) 1.5175(10) 0.4768(8) 0.0505(17) Uani 0.38(3) 1 d P . 1
Ag1' Ag 0.1253(2) 1.4806(10) 0.5050(6) 0.0617(14) Uani 0.62(3) 1 d P . 2
O1 O 0.3008(3) 1.2239(4) 0.35961(18) 0.0272(9) Uani 1 1 d . . .
O2 O 0.4018(3) 1.4296(5) 0.4115(2) 0.0379(10) Uani 1 1 d . . .
O3 O 0.2612(3) 0.6284(5) 0.5558(2) 0.0448(11) Uani 1 1 d . . .
O4 O 0.2044(3) 0.7470(4) 0.45445(18) 0.0292(9) Uani 1 1 d . . .
O5 O 0.1355(3) 0.6889(4) 0.30512(18) 0.0279(9) Uani 1 1 d . . .
O6 O 0.0211(3) 0.4827(5) 0.2836(2) 0.0429(11) Uani 1 1 d . . .
O7 O 0.1333(3) 1.1707(5) 0.43163(19) 0.0303(9) Uani 1 1 d . . .
O8 O 0.0072(3) 1.3009(5) 0.4614(2) 0.0453(12) Uani 1 1 d . . .
O9 O 0.3377(2) 0.7607(4) 0.35728(18) 0.0282(9) Uani 1 1 d D . .
H9A H 0.3324 0.6578 0.3757 0.034 Uiso 1 1 d RD . .
H9B H 0.3474 0.7595 0.3157 0.034 Uiso 1 1 d RD . .
O10 O 0.2522(2) 0.9515(4) 0.25084(16) 0.0270(8) Uani 1 1 d D . .
H10A H 0.2788 1.0220 0.2263 0.032 Uiso 1 1 d RD . .
H10B H 0.2320 0.8957 0.2141 0.032 Uiso 1 1 d RD . .
O11 O 0.1056(3) 1.1568(4) 0.28148(19) 0.0314(9) Uani 1 1 d D . .
H11A H 0.0689 1.0904 0.2537 0.038 Uiso 1 1 d RD . .
H11B H 0.0814 1.2551 0.2937 0.038 Uiso 1 1 d RD . .
N1 N 0.3195(3) 1.0183(5) 0.4686(2) 0.0224(9) Uani 1 1 d . . .
N2 N 0.0376(3) 0.8973(5) 0.3729(2) 0.0221(10) Uani 1 1 d . . .
C1 C 0.3568(4) 1.2858(6) 0.4099(3) 0.0248(12) Uani 1 1 d . . .
C2 C 0.3722(4) 1.1680(6) 0.4734(3) 0.0233(12) Uani 1 1 d . . .
C3 C 0.4348(4) 1.2091(7) 0.5324(3) 0.0341(14) Uani 1 1 d . . .
H3 H 0.4706 1.3144 0.5348 0.041 Uiso 1 1 calc R . .
C4 C 0.4427(4) 1.0905(8) 0.5874(3) 0.0425(16) Uani 1 1 d . . .
H4 H 0.4840 1.1148 0.6274 0.051 Uiso 1 1 calc R . .
C5 C 0.3885(4) 0.9353(8) 0.5823(3) 0.0381(15) Uani 1 1 d . . .
H5 H 0.3930 0.8536 0.6187 0.046 Uiso 1 1 calc R . .
C6 C 0.3277(4) 0.9039(7) 0.5223(3) 0.0254(12) Uani 1 1 d . . .
C7 C 0.2615(4) 0.7479(7) 0.5107(3) 0.0273(13) Uani 1 1 d . . .
C8 C 0.0542(4) 0.6295(7) 0.3075(3) 0.0282(13) Uani 1 1 d . . .
C9 C -0.0065(4) 0.7503(7) 0.3444(3) 0.0261(12) Uani 1 1 d . . .
C10 C -0.0988(4) 0.7162(8) 0.3478(3) 0.0396(16) Uani 1 1 d . . .
H10 H -0.1275 0.6113 0.3284 0.048 Uiso 1 1 calc R . .
C11 C -0.1482(4) 0.8411(8) 0.3805(4) 0.0498(18) Uani 1 1 d . . .
H11 H -0.2108 0.8218 0.3834 0.060 Uiso 1 1 calc R . .
C12 C -0.1031(4) 0.9938(7) 0.4086(3) 0.0409(16) Uani 1 1 d . . .
H12 H -0.1348 1.0806 0.4303 0.049 Uiso 1 1 calc R . .
C13 C -0.0104(4) 1.0162(6) 0.4042(3) 0.0259(12) Uani 1 1 d . . .
C14 C 0.0473(4) 1.1751(7) 0.4346(3) 0.0290(13) Uani 1 1 d . . .
O12 O 0.1971(3) 0.0377(6) 0.8089(2) 0.0571(13) Uani 1 1 d D . .
H12A H 0.2381 0.0843 0.7873 0.069 Uiso 1 1 d RD . .
H12B H 0.2080 0.0484 0.8526 0.069 Uiso 1 1 d RD . .
O13 O 0.9916(3) 0.9557(7) 0.1967(2) 0.0702(15) Uani 1 1 d D . .
H13A H 0.9329 0.9462 0.1942 0.084 Uiso 1 1 d RD . .
H13B H 1.0119 1.0032 0.1621 0.084 Uiso 1 1 d RD . .
O14 O 0.6612(3) 0.8211(7) 0.2534(3) 0.0841(18) Uani 1 1 d D . .
H14A H 0.6062 0.8641 0.2459 0.101 Uiso 1 1 d RD . .
H14B H 0.6701 0.7189 0.2769 0.101 Uiso 1 1 d RD . .


_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
Dy1 O10 2.392(3) . ?
Dy1 O1 2.404(3) . ?
Dy1 O4 2.408(3) . ?
Dy1 O7 2.414(3) . ?
Dy1 O5 2.419(3) . ?
Dy1 O11 2.436(3) . ?
Dy1 O9 2.443(3) . ?
Dy1 N2 2.505(4) . ?
Dy1 N1 2.516(4) . ?
Ag1 O8 2.203(5) . ?
Ag1 O4 2.234(7) 1_565 ?
Ag1 O3 2.581(12) 1_565 ?
Ag1' O8 2.229(5) . ?
Ag1' O3 2.337(5) 1_565 ?
Ag1' O4 2.552(11) 1_565 ?
O1 C1 1.264(6) . ?
O2 C1 1.243(6) . ?
O3 C7 1.251(6) . ?
O3 Ag1' 2.337(5) 1_545 ?
O3 Ag1 2.581(12) 1_545 ?
O4 C7 1.276(7) . ?
O4 Ag1 2.234(7) 1_545 ?
O4 Ag1' 2.552(11) 1_545 ?
O5 C8 1.267(6) . ?
O6 C8 1.245(6) . ?
O7 C14 1.260(6) . ?
O8 C14 1.254(6) . ?
O9 H9A 0.8493 . ?
O9 H9B 0.8522 . ?
O10 H10A 0.8425 . ?
O10 H10B 0.8434 . ?
O11 H11A 0.8540 . ?
O11 H11B 0.8552 . ?
N1 C2 1.336(6) . ?
N1 C6 1.344(6) . ?
N2 C13 1.329(6) . ?
N2 C9 1.336(6) . ?
C1 C2 1.509(7) . ?
C2 C3 1.392(7) . ?
C3 C4 1.382(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.382(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.378(8) . ?
C5 H5 0.9300 . ?
C6 C7 1.492(7) . ?
C8 C9 1.517(7) . ?
C9 C10 1.375(8) . ?
C10 C11 1.387(8) . ?
C10 H10 0.9300 . ?
C11 C12 1.374(8) . ?
C11 H11 0.9300 . ?
C12 C13 1.371(8) . ?
C12 H12 0.9300 . ?
C13 C14 1.508(7) . ?
O12 H12A 0.8549 . ?
O12 H12B 0.8544 . ?
O13 H13A 0.8477 . ?
O13 H13B 0.8591 . ?
O14 H14A 0.8495 . ?
O14 H14B 0.8831 . ?

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
O10 Dy1 O1 75.60(11) . . ?
O10 Dy1 O4 135.30(12) . . ?
O1 Dy1 O4 127.37(12) . . ?
O10 Dy1 O7 138.49(12) . . ?
O1 Dy1 O7 77.85(12) . . ?
O4 Dy1 O7 86.21(12) . . ?
O10 Dy1 O5 73.67(12) . . ?
O1 Dy1 O5 149.25(12) . . ?
O4 Dy1 O5 76.40(12) . . ?
O7 Dy1 O5 127.73(12) . . ?
O10 Dy1 O11 69.56(12) . . ?
O1 Dy1 O11 78.00(12) . . ?
O4 Dy1 O11 144.12(13) . . ?
O7 Dy1 O11 74.13(12) . . ?
O5 Dy1 O11 92.10(12) . . ?
O10 Dy1 O9 66.86(12) . . ?
O1 Dy1 O9 90.92(12) . . ?
O4 Dy1 O9 74.32(12) . . ?
O7 Dy1 O9 144.84(13) . . ?
O5 Dy1 O9 76.24(12) . . ?
O11 Dy1 O9 136.41(12) . . ?
O10 Dy1 N2 120.07(13) . . ?
O1 Dy1 N2 136.36(12) . . ?
O4 Dy1 N2 72.50(13) . . ?
O7 Dy1 N2 64.07(12) . . ?
O5 Dy1 N2 63.71(12) . . ?
O11 Dy1 N2 71.95(13) . . ?
O9 Dy1 N2 132.56(12) . . ?
O10 Dy1 N1 121.11(13) . . ?
O1 Dy1 N1 63.90(12) . . ?
O4 Dy1 N1 63.48(12) . . ?
O7 Dy1 N1 72.39(13) . . ?
O5 Dy1 N1 134.30(12) . . ?
O11 Dy1 N1 133.32(12) . . ?
O9 Dy1 N1 72.75(12) . . ?
N2 Dy1 N1 118.78(13) . . ?
O8 Ag1 O4 160.6(9) . 1_565 ?
O8 Ag1 O3 144.0(8) . 1_565 ?
O4 Ag1 O3 54.22(19) 1_565 1_565 ?
O8 Ag1' O3 171.3(5) . 1_565 ?
O8 Ag1' O4 132.2(6) . 1_565 ?
O3 Ag1' O4 53.69(17) 1_565 1_565 ?
C1 O1 Dy1 125.8(3) . . ?
C7 O3 Ag1' 96.9(5) . 1_545 ?
C7 O3 Ag1 83.7(5) . 1_545 ?
Ag1' O3 Ag1 13.28(9) 1_545 1_545 ?
C7 O4 Ag1 99.1(5) . 1_545 ?
C7 O4 Dy1 125.4(3) . . ?
Ag1 O4 Dy1 135.4(5) 1_545 . ?
C7 O4 Ag1' 86.4(4) . 1_545 ?
Ag1 O4 Ag1' 12.7(2) 1_545 1_545 ?
Dy1 O4 Ag1' 148.1(3) . 1_545 ?
C8 O5 Dy1 125.9(3) . . ?
C14 O7 Dy1 123.9(3) . . ?
C14 O8 Ag1 103.5(4) . . ?
C14 O8 Ag1' 102.8(4) . . ?
Ag1 O8 Ag1' 16.03(12) . . ?
Dy1 O9 H9A 113.2 . . ?
Dy1 O9 H9B 106.9 . . ?
H9A O9 H9B 116.2 . . ?
Dy1 O10 H10A 137.1 . . ?
Dy1 O10 H10B 133.0 . . ?
H10A O10 H10B 86.4 . . ?
Dy1 O11 H11A 108.4 . . ?
Dy1 O11 H11B 123.2 . . ?
H11A O11 H11B 115.0 . . ?
C2 N1 C6 118.8(4) . . ?
C2 N1 Dy1 120.0(3) . . ?
C6 N1 Dy1 121.2(3) . . ?
C13 N2 C9 118.4(4) . . ?
C13 N2 Dy1 120.3(3) . . ?
C9 N2 Dy1 121.1(3) . . ?
O2 C1 O1 126.7(5) . . ?
O2 C1 C2 117.4(5) . . ?
O1 C1 C2 115.9(4) . . ?
N1 C2 C3 122.1(5) . . ?
N1 C2 C1 113.9(4) . . ?
C3 C2 C1 124.0(5) . . ?
C4 C3 C2 118.6(5) . . ?
C4 C3 H3 120.7 . . ?
C2 C3 H3 120.7 . . ?
C3 C4 C5 119.3(5) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 H4 120.3 . . ?
C6 C5 C4 118.8(5) . . ?
C6 C5 H5 120.6 . . ?
C4 C5 H5 120.6 . . ?
N1 C6 C5 122.4(5) . . ?
N1 C6 C7 112.7(5) . . ?
C5 C6 C7 124.9(5) . . ?
O3 C7 O4 122.6(5) . . ?
O3 C7 C6 120.4(5) . . ?
O4 C7 C6 116.9(4) . . ?
O6 C8 O5 126.4(5) . . ?
O6 C8 C9 118.1(5) . . ?
O5 C8 C9 115.5(4) . . ?
N2 C9 C10 122.3(5) . . ?
N2 C9 C8 113.6(5) . . ?
C10 C9 C8 124.0(5) . . ?
C9 C10 C11 118.7(5) . . ?
C9 C10 H10 120.7 . . ?
C11 C10 H10 120.7 . . ?
C12 C11 C10 118.8(6) . . ?
C12 C11 H11 120.6 . . ?
C10 C11 H11 120.6 . . ?
C13 C12 C11 118.9(5) . . ?
C13 C12 H12 120.6 . . ?
C11 C12 H12 120.6 . . ?
N2 C13 C12 122.8(5) . . ?
N2 C13 C14 113.3(4) . . ?
C12 C13 C14 123.9(5) . . ?
O8 C14 O7 124.5(5) . . ?
O8 C14 C13 118.4(5) . . ?
O7 C14 C13 117.1(5) . . ?
H12A O12 H12B 115.6 . . ?
H13A O13 H13B 117.0 . . ?
H14A O14 H14B 117.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O10 Dy1 O1 C1 -142.7(4) . . . . ?
O4 Dy1 O1 C1 -6.1(5) . . . . ?
O7 Dy1 O1 C1 69.5(4) . . . . ?
O5 Dy1 O1 C1 -140.9(4) . . . . ?
O11 Dy1 O1 C1 145.6(4) . . . . ?
O9 Dy1 O1 C1 -76.9(4) . . . . ?
N2 Dy1 O1 C1 98.6(4) . . . . ?
N1 Dy1 O1 C1 -6.7(4) . . . . ?
O10 Dy1 O4 C7 103.7(4) . . . . ?
O1 Dy1 O4 C7 -5.3(5) . . . . ?
O7 Dy1 O4 C7 -76.9(4) . . . . ?
O5 Dy1 O4 C7 152.8(4) . . . . ?
O11 Dy1 O4 C7 -132.9(4) . . . . ?
O9 Dy1 O4 C7 73.5(4) . . . . ?
N2 Dy1 O4 C7 -140.9(4) . . . . ?
N1 Dy1 O4 C7 -4.7(4) . . . . ?
O10 Dy1 O4 Ag1 -80.9(3) . . . 1_545 ?
O1 Dy1 O4 Ag1 170.0(2) . . . 1_545 ?
O7 Dy1 O4 Ag1 98.4(3) . . . 1_545 ?
O5 Dy1 O4 Ag1 -31.9(3) . . . 1_545 ?
O11 Dy1 O4 Ag1 42.4(4) . . . 1_545 ?
O9 Dy1 O4 Ag1 -111.2(3) . . . 1_545 ?
N2 Dy1 O4 Ag1 34.4(3) . . . 1_545 ?
N1 Dy1 O4 Ag1 170.6(3) . . . 1_545 ?
O10 Dy1 O4 Ag1' -81.7(4) . . . 1_545 ?
O1 Dy1 O4 Ag1' 169.2(3) . . . 1_545 ?
O7 Dy1 O4 Ag1' 97.7(3) . . . 1_545 ?
O5 Dy1 O4 Ag1' -32.7(3) . . . 1_545 ?
O11 Dy1 O4 Ag1' 41.7(4) . . . 1_545 ?
O9 Dy1 O4 Ag1' -111.9(3) . . . 1_545 ?
N2 Dy1 O4 Ag1' 33.7(3) . . . 1_545 ?
N1 Dy1 O4 Ag1' 169.8(4) . . . 1_545 ?
O10 Dy1 O5 C8 -140.1(4) . . . . ?
O1 Dy1 O5 C8 -142.0(4) . . . . ?
O4 Dy1 O5 C8 73.5(4) . . . . ?
O7 Dy1 O5 C8 -0.7(5) . . . . ?
O11 Dy1 O5 C8 -72.2(4) . . . . ?
O9 Dy1 O5 C8 150.3(4) . . . . ?
N2 Dy1 O5 C8 -3.5(4) . . . . ?
N1 Dy1 O5 C8 102.1(4) . . . . ?
O10 Dy1 O7 C14 96.1(4) . . . . ?
O1 Dy1 O7 C14 147.3(4) . . . . ?
O4 Dy1 O7 C14 -83.2(4) . . . . ?
O5 Dy1 O7 C14 -13.6(5) . . . . ?
O11 Dy1 O7 C14 66.5(4) . . . . ?
O9 Dy1 O7 C14 -138.8(4) . . . . ?
N2 Dy1 O7 C14 -10.8(4) . . . . ?
N1 Dy1 O7 C14 -146.5(4) . . . . ?
O4 Ag1 O8 C14 76.9(12) 1_565 . . . ?
O3 Ag1 O8 C14 -80.0(6) 1_565 . . . ?
O4 Ag1 O8 Ag1' 166.3(16) 1_565 . . . ?
O3 Ag1 O8 Ag1' 9.4(5) 1_565 . . . ?
O3 Ag1' O8 C14 -41(4) 1_565 . . . ?
O4 Ag1' O8 C14 89.1(4) 1_565 . . . ?
O3 Ag1' O8 Ag1 -136(4) 1_565 . . . ?
O4 Ag1' O8 Ag1 -5.3(6) 1_565 . . . ?
O10 Dy1 N1 C2 55.6(4) . . . . ?
O1 Dy1 N1 C2 3.9(3) . . . . ?
O4 Dy1 N1 C2 -175.6(4) . . . . ?
O7 Dy1 N1 C2 -80.9(3) . . . . ?
O5 Dy1 N1 C2 153.1(3) . . . . ?
O11 Dy1 N1 C2 -34.8(4) . . . . ?
O9 Dy1 N1 C2 103.7(4) . . . . ?
N2 Dy1 N1 C2 -126.7(3) . . . . ?
O10 Dy1 N1 C6 -126.2(3) . . . . ?
O1 Dy1 N1 C6 -178.0(4) . . . . ?
O4 Dy1 N1 C6 2.6(3) . . . . ?
O7 Dy1 N1 C6 97.2(4) . . . . ?
O5 Dy1 N1 C6 -28.7(4) . . . . ?
O11 Dy1 N1 C6 143.3(3) . . . . ?
O9 Dy1 N1 C6 -78.1(4) . . . . ?
N2 Dy1 N1 C6 51.5(4) . . . . ?
O10 Dy1 N2 C13 -125.6(4) . . . . ?
O1 Dy1 N2 C13 -24.6(5) . . . . ?
O4 Dy1 N2 C13 101.7(4) . . . . ?
O7 Dy1 N2 C13 7.3(4) . . . . ?
O5 Dy1 N2 C13 -175.2(4) . . . . ?
O11 Dy1 N2 C13 -73.4(4) . . . . ?
O9 Dy1 N2 C13 149.3(3) . . . . ?
N1 Dy1 N2 C13 56.7(4) . . . . ?
O10 Dy1 N2 C9 50.4(4) . . . . ?
O1 Dy1 N2 C9 151.4(3) . . . . ?
O4 Dy1 N2 C9 -82.4(4) . . . . ?
O7 Dy1 N2 C9 -176.7(4) . . . . ?
O5 Dy1 N2 C9 0.8(4) . . . . ?
O11 Dy1 N2 C9 102.5(4) . . . . ?
O9 Dy1 N2 C9 -34.8(4) . . . . ?
N1 Dy1 N2 C9 -127.3(4) . . . . ?
Dy1 O1 C1 O2 -173.9(4) . . . . ?
Dy1 O1 C1 C2 8.3(6) . . . . ?
C6 N1 C2 C3 -0.3(7) . . . . ?
Dy1 N1 C2 C3 177.9(4) . . . . ?
C6 N1 C2 C1 -179.9(4) . . . . ?
Dy1 N1 C2 C1 -1.7(5) . . . . ?
O2 C1 C2 N1 178.2(5) . . . . ?
O1 C1 C2 N1 -3.8(7) . . . . ?
O2 C1 C2 C3 -1.4(8) . . . . ?
O1 C1 C2 C3 176.6(5) . . . . ?
N1 C2 C3 C4 0.3(8) . . . . ?
C1 C2 C3 C4 179.9(5) . . . . ?
C2 C3 C4 C5 -0.1(9) . . . . ?
C3 C4 C5 C6 -0.2(9) . . . . ?
C2 N1 C6 C5 0.0(7) . . . . ?
Dy1 N1 C6 C5 -178.2(4) . . . . ?
C2 N1 C6 C7 177.3(4) . . . . ?
Dy1 N1 C6 C7 -0.9(5) . . . . ?
C4 C5 C6 N1 0.3(9) . . . . ?
C4 C5 C6 C7 -176.7(5) . . . . ?
Ag1' O3 C7 O4 -7.2(6) 1_545 . . . ?
Ag1 O3 C7 O4 -6.1(5) 1_545 . . . ?
Ag1' O3 C7 C6 170.3(4) 1_545 . . . ?
Ag1 O3 C7 C6 171.4(5) 1_545 . . . ?
Ag1 O4 C7 O3 7.1(6) 1_545 . . . ?
Dy1 O4 C7 O3 -176.3(4) . . . . ?
Ag1' O4 C7 O3 6.6(5) 1_545 . . . ?
Ag1 O4 C7 C6 -170.5(4) 1_545 . . . ?
Dy1 O4 C7 C6 6.1(6) . . . . ?
Ag1' O4 C7 C6 -171.0(4) 1_545 . . . ?
N1 C6 C7 O3 179.3(5) . . . . ?
C5 C6 C7 O3 -3.5(8) . . . . ?
N1 C6 C7 O4 -3.1(7) . . . . ?
C5 C6 C7 O4 174.1(5) . . . . ?
Dy1 O5 C8 O6 -173.5(4) . . . . ?
Dy1 O5 C8 C9 5.4(7) . . . . ?
C13 N2 C9 C10 -1.6(8) . . . . ?
Dy1 N2 C9 C10 -177.6(4) . . . . ?
C13 N2 C9 C8 177.3(5) . . . . ?
Dy1 N2 C9 C8 1.2(6) . . . . ?
O6 C8 C9 N2 174.9(5) . . . . ?
O5 C8 C9 N2 -4.0(7) . . . . ?
O6 C8 C9 C10 -6.3(9) . . . . ?
O5 C8 C9 C10 174.8(5) . . . . ?
N2 C9 C10 C11 1.5(9) . . . . ?
C8 C9 C10 C11 -177.2(6) . . . . ?
C9 C10 C11 C12 -0.2(10) . . . . ?
C10 C11 C12 C13 -0.9(10) . . . . ?
C9 N2 C13 C12 0.3(8) . . . . ?
Dy1 N2 C13 C12 176.4(4) . . . . ?
C9 N2 C13 C14 179.6(4) . . . . ?
Dy1 N2 C13 C14 -4.3(6) . . . . ?
C11 C12 C13 N2 0.9(9) . . . . ?
C11 C12 C13 C14 -178.3(6) . . . . ?
Ag1 O8 C14 O7 12.2(8) . . . . ?
Ag1' O8 C14 O7 -4.2(8) . . . . ?
Ag1 O8 C14 C13 -168.4(6) . . . . ?
Ag1' O8 C14 C13 175.1(5) . . . . ?
Dy1 O7 C14 O8 -167.7(4) . . . . ?
Dy1 O7 C14 C13 12.9(7) . . . . ?
N2 C13 C14 O8 175.5(5) . . . . ?
C12 C13 C14 O8 -5.2(8) . . . . ?
N2 C13 C14 O7 -5.0(7) . . . . ?
C12 C13 C14 O7 174.3(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        26.36
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         1.169
_refine_diff_density_min         -1.259
_refine_diff_density_rms         0.136

#===END

data_6
_database_code_depnum_ccdc_archive 'CCDC 640103'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C14 H18 Ag N2 O14 Tb'
_chemical_formula_sum            'C14 H18 Ag N2 O14 Tb'
_chemical_formula_weight         705.09

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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/n

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

_cell_length_a                   14.4474(17)
_cell_length_b                   7.3600(8)
_cell_length_c                   19.480(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.416(6)
_cell_angle_gamma                90.00
_cell_volume                     2049.0(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    113(2)
_cell_measurement_reflns_used    6408
_cell_measurement_theta_min      1.6
_cell_measurement_theta_max      27.9

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.286
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1360
_exptl_absorpt_coefficient_mu    4.456
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.6642
_exptl_absorpt_correction_T_max  0.8419
_exptl_absorpt_process_details   'CrystalClear (Rigaku/MSC Inc., 2005)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      113(2)
_diffrn_radiation_wavelength     0.71070
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_monochromator  confocal
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 7.31
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18211
_diffrn_reflns_av_R_equivalents  0.0442
_diffrn_reflns_av_sigmaI/netI    0.0414
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.64
_diffrn_reflns_theta_max         27.86
_reflns_number_total             4869
_reflns_number_gt                4149
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  'CrystalStructure 3.7.0'

_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)+(0.0448P)²+0.2644P] 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         4869
_refine_ls_number_parameters     335
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0308
_refine_ls_wR_factor_ref         0.0798
_refine_ls_wR_factor_gt          0.0765
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_restrained_S_all      1.072
_refine_ls_shift/su_max          0.002
_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
Tb1 Tb 0.793676(12) 0.54690(3) 0.137617(9) 0.00825(7) Uani 1 1 d . . .
Ag1 Ag 0.87356(14) 0.0217(6) -0.0098(4) 0.0239(6) Uani 0.61(2) 1 d P . .
Ag1' Ag 0.8815(4) -0.0058(9) 0.0139(8) 0.0275(14) Uani 0.39(2) 1 d P . .
N1 N 0.9620(2) 0.6068(5) 0.12514(16) 0.0104(7) Uani 1 1 d . . .
N2 N 0.6770(2) 0.4868(5) 0.02956(17) 0.0101(7) Uani 1 1 d . . .
O1 O 0.86497(19) 0.3328(4) 0.06659(14) 0.0137(6) Uani 1 1 d . . .
O2 O 0.9917(2) 0.2006(4) 0.03590(16) 0.0205(7) Uani 1 1 d . . .
O3 O 0.86367(18) 0.8214(4) 0.19204(14) 0.0117(6) Uani 1 1 d . . .
O4 O 0.9798(2) 1.0254(4) 0.21296(16) 0.0188(7) Uani 1 1 d . . .
O5 O 0.69513(19) 0.2835(4) 0.13984(13) 0.0128(6) Uani 1 1 d . . .
O6 O 0.5942(2) 0.0750(4) 0.08835(15) 0.0158(6) Uani 1 1 d . . .
O7 O 0.79321(19) 0.7581(4) 0.04319(14) 0.0140(6) Uani 1 1 d . . .
O8 O 0.7369(2) 0.8777(4) -0.05919(15) 0.0187(7) Uani 1 1 d . . .
C1 C 0.9517(3) 0.3260(6) 0.0635(2) 0.0154(8) Uani 1 1 d . . .
C2 C 1.0100(3) 0.4836(6) 0.0942(2) 0.0132(8) Uani 1 1 d . . .
C3 C 1.1046(3) 0.5015(6) 0.0908(2) 0.0192(9) Uani 1 1 d . . .
H3 H 1.1373 0.4099 0.0698 0.023 Uiso 1 1 calc R . .
C4 C 1.1507(3) 0.6566(7) 0.1188(2) 0.0241(10) Uani 1 1 d . . .
H4 H 1.2153 0.6741 0.1166 0.029 Uiso 1 1 calc R . .
C5 C 1.1002(3) 0.7855(6) 0.1502(2) 0.0187(9) Uani 1 1 d . . .
H5 H 1.1297 0.8934 0.1692 0.022 Uiso 1 1 calc R . .
C6 C 1.0069(3) 0.7547(6) 0.1533(2) 0.0132(8) Uani 1 1 d . . .
C7 C 0.9458(3) 0.8793(6) 0.1891(2) 0.0127(8) Uani 1 1 d . . .
C8 C 0.6386(3) 0.2200(6) 0.0893(2) 0.0125(8) Uani 1 1 d . . .
C9 C 0.6243(3) 0.3368(5) 0.0249(2) 0.0111(8) Uani 1 1 d . . .
C10 C 0.5615(3) 0.2942(6) -0.0345(2) 0.0148(8) Uani 1 1 d . . .
H10 H 0.5251 0.1864 -0.0367 0.018 Uiso 1 1 calc R . .
C11 C 0.5539(3) 0.4138(6) -0.0901(2) 0.0170(9) Uani 1 1 d . . .
H11 H 0.5113 0.3891 -0.1310 0.020 Uiso 1 1 calc R . .
C12 C 0.6085(3) 0.5691(6) -0.0859(2) 0.0165(9) Uani 1 1 d . . .
H12 H 0.6045 0.6517 -0.1237 0.020 Uiso 1 1 calc R . .
C13 C 0.6696(3) 0.6013(6) -0.0245(2) 0.0119(8) Uani 1 1 d . . .
C14 C 0.7362(3) 0.7582(5) -0.0133(2) 0.0126(8) Uani 1 1 d . . .
O9 O 0.8924(2) 0.3479(4) 0.21824(15) 0.0141(6) Uani 1 1 d D . .
H9A H 0.936(3) 0.412(6) 0.242(2) 0.021 Uiso 1 1 d D . .
H9B H 0.923(3) 0.247(5) 0.208(2) 0.021 Uiso 1 1 d D . .
O10 O 0.7475(2) 0.5565(4) 0.25052(14) 0.0120(6) Uani 1 1 d D . .
H10A H 0.710(3) 0.485(6) 0.266(2) 0.018 Uiso 1 1 d D . .
H10B H 0.768(3) 0.629(6) 0.280(2) 0.018 Uiso 1 1 d D . .
O11 O 0.6602(2) 0.7472(4) 0.14376(15) 0.0135(6) Uani 1 1 d D . .
H11A H 0.651(3) 0.847(5) 0.125(2) 0.020 Uiso 1 1 d D . .
H11B H 0.658(3) 0.767(7) 0.1865(15) 0.020 Uiso 1 1 d D . .
O12 O 0.4947(2) 0.0689(5) 0.20344(17) 0.0248(8) Uani 1 1 d D . .
H12A H 0.436(2) 0.062(8) 0.199(3) 0.037 Uiso 1 1 d D . .
H12B H 0.507(4) 0.069(7) 0.1606(17) 0.037 Uiso 1 1 d D . .
O13 O 0.3057(2) 0.0224(5) 0.19463(17) 0.0215(7) Uani 1 1 d D . .
H13A H 0.262(3) 0.044(7) 0.218(3) 0.032 Uiso 1 1 d D . .
H13B H 0.293(4) 0.038(8) 0.1505(15) 0.032 Uiso 1 1 d D . .
O14 O 0.3352(2) 0.6613(5) 0.2414(2) 0.0316(9) Uani 1 1 d D . .
H14A H 0.394(2) 0.641(9) 0.247(3) 0.047 Uiso 1 1 d D . .
H14B H 0.332(4) 0.778(4) 0.235(3) 0.047 Uiso 1 1 d 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
Tb1 O10 2.391(3) . ?
Tb1 O7 2.408(3) . ?
Tb1 O5 2.409(3) . ?
Tb1 O1 2.424(3) . ?
Tb1 O3 2.432(3) . ?
Tb1 O11 2.444(3) . ?
Tb1 O9 2.447(3) . ?
Tb1 N1 2.518(3) . ?
Tb1 N2 2.536(3) . ?
Ag1 Ag1' 0.503(9) . ?
Ag1 O2 2.235(3) . ?
Ag1 O8 2.321(4) 1_545 ?
Ag1 O7 2.556(7) 1_545 ?
Ag1' O2 2.197(4) . ?
Ag1' O7 2.277(8) 1_545 ?
Ag1' O8 2.501(10) 1_545 ?
N1 C2 1.338(5) . ?
N1 C6 1.343(5) . ?
N2 C9 1.336(5) . ?
N2 C13 1.340(5) . ?
O1 C1 1.264(5) . ?
O2 C1 1.251(5) . ?
O3 C7 1.270(5) . ?
O4 C7 1.243(5) . ?
O5 C8 1.272(4) . ?
O6 C8 1.244(5) . ?
O7 C14 1.275(4) . ?
O7 Ag1' 2.277(8) 1_565 ?
O7 Ag1 2.556(7) 1_565 ?
O8 C14 1.255(5) . ?
O8 Ag1 2.321(4) 1_565 ?
O8 Ag1' 2.501(10) 1_565 ?
C1 C2 1.505(6) . ?
C2 C3 1.384(6) . ?
C3 C4 1.393(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.392(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.376(6) . ?
C5 H5 0.9500 . ?
C6 C7 1.513(6) . ?
C8 C9 1.510(5) . ?
C9 C10 1.397(5) . ?
C10 C11 1.387(6) . ?
C10 H10 0.9500 . ?
C11 C12 1.384(6) . ?
C11 H11 0.9500 . ?
C12 C13 1.399(5) . ?
C12 H12 0.9500 . ?
C13 C14 1.499(6) . ?
O9 H9A 0.87(3) . ?
O9 H9B 0.90(3) . ?
O10 H10A 0.84(3) . ?
O10 H10B 0.81(3) . ?
O11 H11A 0.82(3) . ?
O11 H11B 0.85(3) . ?
O12 H12A 0.85(3) . ?
O12 H12B 0.88(3) . ?
O13 H13A 0.85(3) . ?
O13 H13B 0.86(3) . ?
O14 H14A 0.85(3) . ?
O14 H14B 0.87(3) . ?

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
O10 Tb1 O7 135.54(10) . . ?
O10 Tb1 O5 76.23(9) . . ?
O7 Tb1 O5 126.70(9) . . ?
O10 Tb1 O1 138.02(10) . . ?
O7 Tb1 O1 86.42(10) . . ?
O5 Tb1 O1 77.80(10) . . ?
O10 Tb1 O3 74.27(9) . . ?
O7 Tb1 O3 75.59(9) . . ?
O5 Tb1 O3 150.42(9) . . ?
O1 Tb1 O3 127.20(9) . . ?
O10 Tb1 O11 66.96(10) . . ?
O7 Tb1 O11 74.57(10) . . ?
O5 Tb1 O11 90.69(10) . . ?
O1 Tb1 O11 145.52(9) . . ?
O3 Tb1 O11 76.01(9) . . ?
O10 Tb1 O9 69.04(10) . . ?
O7 Tb1 O9 144.39(10) . . ?
O5 Tb1 O9 78.29(9) . . ?
O1 Tb1 O9 73.79(9) . . ?
O3 Tb1 O9 92.95(9) . . ?
O11 Tb1 O9 136.00(10) . . ?
O10 Tb1 N1 119.16(10) . . ?
O7 Tb1 N1 73.02(10) . . ?
O5 Tb1 N1 136.41(10) . . ?
O1 Tb1 N1 64.01(10) . . ?
O3 Tb1 N1 63.30(10) . . ?
O11 Tb1 N1 132.77(10) . . ?
O9 Tb1 N1 71.74(10) . . ?
O10 Tb1 N2 121.83(10) . . ?
O7 Tb1 N2 63.34(10) . . ?
O5 Tb1 N2 63.37(10) . . ?
O1 Tb1 N2 72.50(10) . . ?
O3 Tb1 N2 133.65(10) . . ?
O11 Tb1 N2 73.29(10) . . ?
O9 Tb1 N2 133.03(10) . . ?
N1 Tb1 N2 118.99(10) . . ?
Ag1' Ag1 O2 79.2(5) . . ?
Ag1' Ag1 O8 105.2(7) . 1_545 ?
O2 Ag1 O8 171.0(2) . 1_545 ?
Ag1' Ag1 O7 51.5(6) . 1_545 ?
O2 Ag1 O7 130.7(4) . 1_545 ?
O8 Ag1 O7 53.96(12) 1_545 1_545 ?
Ag1 Ag1' O2 87.8(5) . . ?
Ag1 Ag1' O7 118.5(8) . 1_545 ?
O2 Ag1' O7 153.5(9) . 1_545 ?
Ag1 Ag1' O8 63.6(8) . 1_545 ?
O2 Ag1' O8 150.4(8) . 1_545 ?
O7 Ag1' O8 55.20(12) 1_545 1_545 ?
C2 N1 C6 118.8(3) . . ?
C2 N1 Tb1 119.8(3) . . ?
C6 N1 Tb1 121.2(3) . . ?
C9 N2 C13 119.1(3) . . ?
C9 N2 Tb1 120.2(2) . . ?
C13 N2 Tb1 120.6(3) . . ?
C1 O1 Tb1 124.0(3) . . ?
C1 O2 Ag1' 103.1(3) . . ?
C1 O2 Ag1 103.4(3) . . ?
Ag1' O2 Ag1 13.0(2) . . ?
C7 O3 Tb1 126.2(3) . . ?
C8 O5 Tb1 126.6(2) . . ?
C14 O7 Ag1' 95.6(5) . 1_565 ?
C14 O7 Tb1 126.1(3) . . ?
Ag1' O7 Tb1 138.2(4) 1_565 . ?
C14 O7 Ag1 85.7(3) . 1_565 ?
Ag1' O7 Ag1 10.0(3) 1_565 1_565 ?
Tb1 O7 Ag1 148.05(18) . 1_565 ?
C14 O8 Ag1 96.9(3) . 1_565 ?
C14 O8 Ag1' 85.9(4) . 1_565 ?
Ag1 O8 Ag1' 11.19(15) 1_565 1_565 ?
O2 C1 O1 124.9(4) . . ?
O2 C1 C2 118.2(4) . . ?
O1 C1 C2 116.8(4) . . ?
N1 C2 C3 122.5(4) . . ?
N1 C2 C1 113.9(3) . . ?
C3 C2 C1 123.6(4) . . ?
C2 C3 C4 118.6(4) . . ?
C2 C3 H3 120.7 . . ?
C4 C3 H3 120.7 . . ?
C5 C4 C3 118.6(4) . . ?
C5 C4 H4 120.7 . . ?
C3 C4 H4 120.7 . . ?
C6 C5 C4 119.1(4) . . ?
C6 C5 H5 120.4 . . ?
C4 C5 H5 120.4 . . ?
N1 C6 C5 122.3(4) . . ?
N1 C6 C7 113.6(3) . . ?
C5 C6 C7 124.2(4) . . ?
O4 C7 O3 126.4(4) . . ?
O4 C7 C6 118.1(4) . . ?
O3 C7 C6 115.5(3) . . ?
O6 C8 O5 126.7(4) . . ?
O6 C8 C9 117.9(3) . . ?
O5 C8 C9 115.4(3) . . ?
N2 C9 C10 122.4(4) . . ?
N2 C9 C8 114.0(3) . . ?
C10 C9 C8 123.7(4) . . ?
C11 C10 C9 118.2(4) . . ?
C11 C10 H10 120.9 . . ?
C9 C10 H10 120.9 . . ?
C12 C11 C10 119.9(4) . . ?
C12 C11 H11 120.1 . . ?
C10 C11 H11 120.1 . . ?
C11 C12 C13 118.2(4) . . ?
C11 C12 H12 120.9 . . ?
C13 C12 H12 120.9 . . ?
N2 C13 C12 122.2(4) . . ?
N2 C13 C14 113.3(3) . . ?
C12 C13 C14 124.4(4) . . ?
O8 C14 O7 122.9(4) . . ?
O8 C14 C13 120.6(3) . . ?
O7 C14 C13 116.4(3) . . ?
Tb1 O9 H9A 109(3) . . ?
Tb1 O9 H9B 128(3) . . ?
H9A O9 H9B 103(4) . . ?
Tb1 O10 H10A 126(3) . . ?
Tb1 O10 H10B 123(4) . . ?
H10A O10 H10B 111(5) . . ?
Tb1 O11 H11A 127(4) . . ?
Tb1 O11 H11B 107(3) . . ?
H11A O11 H11B 105(5) . . ?
H12A O12 H12B 104(5) . . ?
H13A O13 H13B 117(5) . . ?
H14A O14 H14B 102(6) . . ?

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
O8 Ag1 Ag1' O2 -171.89(18) 1_545 . . . ?
O7 Ag1 Ag1' O2 -177.5(4) 1_545 . . . ?
O2 Ag1 Ag1' O7 177.5(4) . . . 1_545 ?
O8 Ag1 Ag1' O7 5.7(6) 1_545 . . 1_545 ?
O2 Ag1 Ag1' O8 171.89(18) . . . 1_545 ?
O7 Ag1 Ag1' O8 -5.7(6) 1_545 . . 1_545 ?
O10 Tb1 N1 C2 124.1(3) . . . . ?
O7 Tb1 N1 C2 -102.7(3) . . . . ?
O5 Tb1 N1 C2 23.2(3) . . . . ?
O1 Tb1 N1 C2 -8.3(3) . . . . ?
O3 Tb1 N1 C2 175.2(3) . . . . ?
O11 Tb1 N1 C2 -151.3(3) . . . . ?
O9 Tb1 N1 C2 72.1(3) . . . . ?
N2 Tb1 N1 C2 -57.6(3) . . . . ?
O10 Tb1 N1 C6 -51.1(3) . . . . ?
O7 Tb1 N1 C6 82.1(3) . . . . ?
O5 Tb1 N1 C6 -152.1(3) . . . . ?
O1 Tb1 N1 C6 176.5(3) . . . . ?
O3 Tb1 N1 C6 0.0(3) . . . . ?
O11 Tb1 N1 C6 33.5(3) . . . . ?
O9 Tb1 N1 C6 -103.1(3) . . . . ?
N2 Tb1 N1 C6 127.2(3) . . . . ?
O10 Tb1 N2 C9 -55.9(3) . . . . ?
O7 Tb1 N2 C9 175.1(3) . . . . ?
O5 Tb1 N2 C9 -4.6(3) . . . . ?
O1 Tb1 N2 C9 80.3(3) . . . . ?
O3 Tb1 N2 C9 -154.6(3) . . . . ?
O11 Tb1 N2 C9 -104.1(3) . . . . ?
O9 Tb1 N2 C9 34.3(3) . . . . ?
N1 Tb1 N2 C9 125.8(3) . . . . ?
O10 Tb1 N2 C13 126.4(3) . . . . ?
O7 Tb1 N2 C13 -2.5(3) . . . . ?
O5 Tb1 N2 C13 177.8(3) . . . . ?
O1 Tb1 N2 C13 -97.4(3) . . . . ?
O3 Tb1 N2 C13 27.8(4) . . . . ?
O11 Tb1 N2 C13 78.3(3) . . . . ?
O9 Tb1 N2 C13 -143.4(3) . . . . ?
N1 Tb1 N2 C13 -51.8(3) . . . . ?
O10 Tb1 O1 C1 -94.2(3) . . . . ?
O7 Tb1 O1 C1 84.2(3) . . . . ?
O5 Tb1 O1 C1 -147.0(3) . . . . ?
O3 Tb1 O1 C1 15.3(3) . . . . ?
O11 Tb1 O1 C1 140.0(3) . . . . ?
O9 Tb1 O1 C1 -65.9(3) . . . . ?
N1 Tb1 O1 C1 11.4(3) . . . . ?
N2 Tb1 O1 C1 147.3(3) . . . . ?
Ag1 Ag1' O2 C1 92.9(6) . . . . ?
O7 Ag1' O2 C1 -82.2(6) 1_545 . . . ?
O8 Ag1' O2 C1 78.1(6) 1_545 . . . ?
O7 Ag1' O2 Ag1 -175.2(9) 1_545 . . . ?
O8 Ag1' O2 Ag1 -14.8(6) 1_545 . . . ?
Ag1' Ag1 O2 C1 -90.2(6) . . . . ?
O8 Ag1 O2 C1 30(3) 1_545 . . . ?
O7 Ag1 O2 C1 -87.6(3) 1_545 . . . ?
O8 Ag1 O2 Ag1' 120(3) 1_545 . . . ?
O7 Ag1 O2 Ag1' 2.5(5) 1_545 . . . ?
O10 Tb1 O3 C7 138.3(3) . . . . ?
O7 Tb1 O3 C7 -74.8(3) . . . . ?
O5 Tb1 O3 C7 142.3(3) . . . . ?
O1 Tb1 O3 C7 -0.8(4) . . . . ?
O11 Tb1 O3 C7 -152.1(3) . . . . ?
O9 Tb1 O3 C7 71.1(3) . . . . ?
N1 Tb1 O3 C7 3.2(3) . . . . ?
N2 Tb1 O3 C7 -102.5(3) . . . . ?
O10 Tb1 O5 C8 143.9(3) . . . . ?
O7 Tb1 O5 C8 6.7(4) . . . . ?
O1 Tb1 O5 C8 -69.4(3) . . . . ?
O3 Tb1 O5 C8 139.9(3) . . . . ?
O11 Tb1 O5 C8 77.8(3) . . . . ?
O9 Tb1 O5 C8 -145.1(3) . . . . ?
N1 Tb1 O5 C8 -98.1(3) . . . . ?
N2 Tb1 O5 C8 7.0(3) . . . . ?
O10 Tb1 O7 C14 -104.5(3) . . . . ?
O5 Tb1 O7 C14 5.1(4) . . . . ?
O1 Tb1 O7 C14 77.0(3) . . . . ?
O3 Tb1 O7 C14 -153.1(3) . . . . ?
O11 Tb1 O7 C14 -73.9(3) . . . . ?
O9 Tb1 O7 C14 132.4(3) . . . . ?
N1 Tb1 O7 C14 140.9(3) . . . . ?
N2 Tb1 O7 C14 4.8(3) . . . . ?
O10 Tb1 O7 Ag1' 79.9(3) . . . 1_565 ?
O5 Tb1 O7 Ag1' -170.5(2) . . . 1_565 ?
O1 Tb1 O7 Ag1' -98.6(2) . . . 1_565 ?
O3 Tb1 O7 Ag1' 31.3(2) . . . 1_565 ?
O11 Tb1 O7 Ag1' 110.5(2) . . . 1_565 ?
O9 Tb1 O7 Ag1' -43.2(3) . . . 1_565 ?
N1 Tb1 O7 Ag1' -34.7(2) . . . 1_565 ?
N2 Tb1 O7 Ag1' -170.8(3) . . . 1_565 ?
O10 Tb1 O7 Ag1 82.0(3) . . . 1_565 ?
O5 Tb1 O7 Ag1 -168.4(2) . . . 1_565 ?
O1 Tb1 O7 Ag1 -96.5(3) . . . 1_565 ?
O3 Tb1 O7 Ag1 33.4(2) . . . 1_565 ?
O11 Tb1 O7 Ag1 112.6(3) . . . 1_565 ?
O9 Tb1 O7 Ag1 -41.1(4) . . . 1_565 ?
N1 Tb1 O7 Ag1 -32.6(3) . . . 1_565 ?
N2 Tb1 O7 Ag1 -168.7(3) . . . 1_565 ?
Ag1' O2 C1 O1 -9.1(7) . . . . ?
Ag1 O2 C1 O1 4.2(5) . . . . ?
Ag1' O2 C1 C2 172.4(5) . . . . ?
Ag1 O2 C1 C2 -174.3(4) . . . . ?
Tb1 O1 C1 O2 168.5(3) . . . . ?
Tb1 O1 C1 C2 -12.9(5) . . . . ?
C6 N1 C2 C3 0.8(6) . . . . ?
Tb1 N1 C2 C3 -174.6(3) . . . . ?
C6 N1 C2 C1 -178.9(3) . . . . ?
Tb1 N1 C2 C1 5.7(4) . . . . ?
O2 C1 C2 N1 -177.3(4) . . . . ?
O1 C1 C2 N1 4.1(5) . . . . ?
O2 C1 C2 C3 3.0(6) . . . . ?
O1 C1 C2 C3 -175.6(4) . . . . ?
N1 C2 C3 C4 -2.0(7) . . . . ?
C1 C2 C3 C4 177.7(4) . . . . ?
C2 C3 C4 C5 1.2(7) . . . . ?
C3 C4 C5 C6 0.8(7) . . . . ?
C2 N1 C6 C5 1.4(6) . . . . ?
Tb1 N1 C6 C5 176.6(3) . . . . ?
C2 N1 C6 C7 -177.7(3) . . . . ?
Tb1 N1 C6 C7 -2.4(4) . . . . ?
C4 C5 C6 N1 -2.2(7) . . . . ?
C4 C5 C6 C7 176.8(4) . . . . ?
Tb1 O3 C7 O4 174.9(3) . . . . ?
Tb1 O3 C7 C6 -5.6(5) . . . . ?
N1 C6 C7 O4 -175.5(4) . . . . ?
C5 C6 C7 O4 5.5(6) . . . . ?
N1 C6 C7 O3 4.9(5) . . . . ?
C5 C6 C7 O3 -174.1(4) . . . . ?
Tb1 O5 C8 O6 172.7(3) . . . . ?
Tb1 O5 C8 C9 -8.1(5) . . . . ?
C13 N2 C9 C10 0.0(6) . . . . ?
Tb1 N2 C9 C10 -177.6(3) . . . . ?
C13 N2 C9 C8 -179.6(4) . . . . ?
Tb1 N2 C9 C8 2.8(4) . . . . ?
O6 C8 C9 N2 -177.8(4) . . . . ?
O5 C8 C9 N2 2.9(5) . . . . ?
O6 C8 C9 C10 2.6(6) . . . . ?
O5 C8 C9 C10 -176.7(4) . . . . ?
N2 C9 C10 C11 -0.4(6) . . . . ?
C8 C9 C10 C11 179.2(4) . . . . ?
C9 C10 C11 C12 0.7(6) . . . . ?
C10 C11 C12 C13 -0.6(7) . . . . ?
C9 N2 C13 C12 0.0(6) . . . . ?
Tb1 N2 C13 C12 177.6(3) . . . . ?
C9 N2 C13 C14 -177.0(3) . . . . ?
Tb1 N2 C13 C14 0.7(5) . . . . ?
C11 C12 C13 N2 0.3(6) . . . . ?
C11 C12 C13 C14 176.9(4) . . . . ?
Ag1 O8 C14 O7 7.8(4) 1_565 . . . ?
Ag1' O8 C14 O7 5.9(4) 1_565 . . . ?
Ag1 O8 C14 C13 -169.3(3) 1_565 . . . ?
Ag1' O8 C14 C13 -171.2(4) 1_565 . . . ?
Ag1' O7 C14 O8 -6.5(4) 1_565 . . . ?
Tb1 O7 C14 O8 176.4(3) . . . . ?
Ag1 O7 C14 O8 -7.0(4) 1_565 . . . ?
Ag1' O7 C14 C13 170.7(3) 1_565 . . . ?
Tb1 O7 C14 C13 -6.3(5) . . . . ?
Ag1 O7 C14 C13 170.2(3) 1_565 . . . ?
N2 C13 C14 O8 -179.4(4) . . . . ?
C12 C13 C14 O8 3.8(6) . . . . ?
N2 C13 C14 O7 3.3(5) . . . . ?
C12 C13 C14 O7 -173.6(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.86
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         2.830
_refine_diff_density_min         -1.410
_refine_diff_density_rms         0.169

#===END

data_2
_database_code_depnum_ccdc_archive 'CCDC 650356'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C14 H18 Ag Ce N2 O14'
_chemical_formula_sum            'C14 H18 Ag Ce N2 O14'
_chemical_formula_weight         686.29

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'
Ce Ce -0.2486 2.6331 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           MONOclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   14.656(3)
_cell_length_b                   7.3077(15)
_cell_length_c                   19.705(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.71(3)
_cell_angle_gamma                90.00
_cell_volume                     2091.3(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    5038
_cell_measurement_theta_min      1.63
_cell_measurement_theta_max      27.90

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.180
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1332
_exptl_absorpt_coefficient_mu    3.161
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6317
_exptl_absorpt_correction_T_max  0.6659
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'

_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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            15133
_diffrn_reflns_av_R_equivalents  0.0399
_diffrn_reflns_av_sigmaI/netI    0.0320
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.63
_diffrn_reflns_theta_max         25.01
_reflns_number_total             3692
_reflns_number_gt                3308
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_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)+(0.0291P)²+2.1764P] 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         3692
_refine_ls_number_parameters     295
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0302
_refine_ls_R_factor_gt           0.0261
_refine_ls_wR_factor_ref         0.0625
_refine_ls_wR_factor_gt          0.0606
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_restrained_S_all      1.587
_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
Ce1 Ce 0.793080(19) 0.94908(4) 0.137652(15) 0.00898(11) Uani 1 1 d . . .
Ag1 Ag 0.87785(4) 0.49549(8) 0.00723(4) 0.0469(2) Uani 1 1 d U . .
C1 C 0.6325(4) 1.2799(8) 0.0863(3) 0.0116(11) Uani 1 1 d . . .
C2 C 0.6211(4) 1.1621(7) 0.0226(3) 0.0120(11) Uani 1 1 d . . .
C3 C 0.5596(4) 1.2056(8) -0.0359(3) 0.0171(13) Uani 1 1 d . . .
H3 H 0.5239 1.3111 -0.0377 0.021 Uiso 1 1 calc R . .
C4 C 0.5538(4) 1.0870(8) -0.0907(3) 0.0189(13) Uani 1 1 d . . .
H4 H 0.5134 1.1118 -0.1302 0.023 Uiso 1 1 calc R . .
C5 C 0.6078(4) 0.9311(8) -0.0870(3) 0.0154(12) Uani 1 1 d . . .
H5 H 0.6044 0.8502 -0.1237 0.018 Uiso 1 1 calc R . .
C6 C 0.6672(4) 0.8986(8) -0.0272(3) 0.0134(12) Uani 1 1 d . . .
C7 C 0.7320(4) 0.7380(8) -0.0173(3) 0.0148(12) Uani 1 1 d . . .
C8 C 0.9521(4) 0.6098(8) 0.1850(3) 0.0138(12) Uani 1 1 d . . .
C9 C 1.0105(4) 0.7394(8) 0.1491(3) 0.0154(12) Uani 1 1 d . . .
C10 C 1.1032(4) 0.7093(8) 0.1450(3) 0.0208(14) Uani 1 1 d . . .
H10A H 1.1320 0.6026 0.1624 0.025 Uiso 1 1 calc R . .
C11 C 1.1516(4) 0.8411(9) 0.1146(3) 0.0264(15) Uani 1 1 d . . .
H11 H 1.2140 0.8254 0.1118 0.032 Uiso 1 1 calc R . .
C12 C 1.1062(4) 0.9968(9) 0.0883(3) 0.0209(14) Uani 1 1 d . . .
H12 H 1.1377 1.0881 0.0681 0.025 Uiso 1 1 calc R . .
C13 C 1.0138(4) 1.0142(8) 0.0925(3) 0.0140(12) Uani 1 1 d . . .
C14 C 0.9566(4) 1.1750(8) 0.0633(3) 0.0149(12) Uani 1 1 d . . .
N1 N 0.6734(3) 1.0116(6) 0.0267(2) 0.0114(10) Uani 1 1 d . . .
N2 N 0.9662(3) 0.8884(6) 0.1226(2) 0.0112(10) Uani 1 1 d . . .
O1 O 0.7882(3) 0.7362(5) 0.03832(19) 0.0166(9) Uani 1 1 d . . .
O2 O 0.7322(3) 0.6194(6) -0.0624(2) 0.0229(10) Uani 1 1 d . . .
O3 O 0.6895(3) 1.2216(5) 0.13605(19) 0.0145(9) Uani 1 1 d . . .
O4 O 0.5862(3) 1.4232(5) 0.0857(2) 0.0183(9) Uani 1 1 d . . .
O5 O 0.8697(2) 0.6604(5) 0.1879(2) 0.0146(9) Uani 1 1 d . . .
O6 O 0.9876(3) 0.4642(5) 0.2088(2) 0.0201(9) Uani 1 1 d . . .
O7 O 0.8712(3) 1.1706(5) 0.06720(19) 0.0152(9) Uani 1 1 d . . .
O8 O 0.9962(3) 1.3030(5) 0.0368(2) 0.0224(10) Uani 1 1 d . . .
O9 O 0.7464(3) 0.9386(5) 0.25470(19) 0.0127(8) Uani 1 1 d . . .
H9A H 0.7755 0.8756 0.2926 0.015 Uiso 1 1 d R . .
H9B H 0.7015 1.0274 0.2751 0.015 Uiso 1 1 d R . .
O10 O 0.8977(2) 1.1495(5) 0.22148(19) 0.0140(8) Uani 1 1 d . . .
H10C H 0.9386 1.0689 0.2431 0.017 Uiso 1 1 d R . .
H10B H 0.9194 1.2549 0.2139 0.017 Uiso 1 1 d R . .
O11 O 0.6572(3) 0.7400(6) 0.1458(2) 0.0149(9) Uani 1 1 d . . .
H11A H 0.650(5) 0.731(9) 0.181(3) 0.018 Uiso 1 1 d . . .
H11B H 0.641(4) 0.640(9) 0.125(3) 0.018 Uiso 1 1 d . . .
O12 O 0.6916(3) 0.5230(6) 0.8032(2) 0.0237(10) Uani 1 1 d . . .
H12A H 0.7090 0.5197 0.8444 0.028 Uiso 1 1 d R . .
H12B H 0.7351 0.5758 0.7840 0.028 Uiso 1 1 d R . .
O13 O 0.1693(3) 0.3437(6) 0.2611(2) 0.0329(12) Uani 1 1 d . . .
H13A H 0.1637 0.2265 0.2717 0.039 Uiso 1 1 d R . .
H13B H 0.1121 0.3545 0.2405 0.039 Uiso 1 1 d R . .
O14 O 0.0064(3) 0.9158(6) 0.2950(2) 0.0229(10) Uani 1 1 d . . .
H14A H -0.0147 0.9272 0.3368 0.027 Uiso 1 1 d R . .
H14B H 0.0630 0.9416 0.2965 0.027 Uiso 1 1 d R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ce1 O9 2.493(4) . ?
Ce1 O1 2.494(4) . ?
Ce1 O3 2.502(4) . ?
Ce1 O7 2.507(4) . ?
Ce1 O5 2.528(4) . ?
Ce1 O11 2.533(4) . ?
Ce1 O10 2.558(4) . ?
Ce1 N2 2.632(4) . ?
Ce1 N1 2.653(4) . ?
Ag1 O8 2.248(4) 1_545 ?
Ag1 O1 2.326(4) . ?
Ag1 O2 2.545(4) . ?
Ag1 O8 2.599(4) 3_775 ?
C1 O4 1.247(7) . ?
C1 O3 1.273(6) . ?
C1 C2 1.513(8) . ?
C2 N1 1.337(7) . ?
C2 C3 1.401(8) . ?
C3 C4 1.378(8) . ?
C3 H3 0.9300 . ?
C4 C5 1.384(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.388(8) . ?
C5 H5 0.9300 . ?
C6 N1 1.339(7) . ?
C6 C7 1.505(8) . ?
C7 O2 1.242(7) . ?
C7 O1 1.279(7) . ?
C8 O6 1.248(7) . ?
C8 O5 1.272(6) . ?
C8 C9 1.514(8) . ?
C9 N2 1.337(7) . ?
C9 C10 1.389(8) . ?
C10 C11 1.380(8) . ?
C10 H10A 0.9300 . ?
C11 C12 1.383(8) . ?
C11 H11 0.9300 . ?
C12 C13 1.374(8) . ?
C12 H12 0.9300 . ?
C13 N2 1.339(7) . ?
C13 C14 1.512(8) . ?
C14 O8 1.252(7) . ?
C14 O7 1.263(7) . ?
O8 Ag1 2.248(4) 1_565 ?
O8 Ag1 2.599(4) 3_775 ?
O9 H9A 0.9303 . ?
O9 H9B 1.0423 . ?
O10 H10C 0.9050 . ?
O10 H10B 0.8542 . ?
O11 H11A 0.72(7) . ?
O11 H11B 0.86(7) . ?
O12 H12A 0.8178 . ?
O12 H12B 0.8739 . ?
O13 H13A 0.8879 . ?
O13 H13B 0.8849 . ?
O14 H14A 0.9221 . ?
O14 H14B 0.8476 . ?

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
O9 Ce1 O1 136.43(13) . . ?
O9 Ce1 O3 78.15(12) . . ?
O1 Ce1 O3 122.23(12) . . ?
O9 Ce1 O7 137.25(12) . . ?
O1 Ce1 O7 86.28(13) . . ?
O3 Ce1 O7 78.51(13) . . ?
O9 Ce1 O5 76.98(12) . . ?
O1 Ce1 O5 75.59(12) . . ?
O3 Ce1 O5 154.94(13) . . ?
O7 Ce1 O5 122.93(12) . . ?
O9 Ce1 O11 66.85(13) . . ?
O1 Ce1 O11 74.57(14) . . ?
O3 Ce1 O11 89.99(13) . . ?
O7 Ce1 O11 147.83(13) . . ?
O5 Ce1 O11 77.48(13) . . ?
O9 Ce1 O10 68.60(12) . . ?
O1 Ce1 O10 144.63(12) . . ?
O3 Ce1 O10 82.10(12) . . ?
O7 Ce1 O10 73.09(12) . . ?
O5 Ce1 O10 91.66(12) . . ?
O11 Ce1 O10 135.44(13) . . ?
O9 Ce1 N2 119.17(13) . . ?
O1 Ce1 N2 74.49(13) . . ?
O3 Ce1 N2 136.52(13) . . ?
O7 Ce1 N2 61.79(13) . . ?
O5 Ce1 N2 61.27(13) . . ?
O11 Ce1 N2 133.15(14) . . ?
O10 Ce1 N2 70.49(13) . . ?
O9 Ce1 N1 122.32(13) . . ?
O1 Ce1 N1 60.96(13) . . ?
O3 Ce1 N1 61.28(13) . . ?
O7 Ce1 N1 74.52(13) . . ?
O5 Ce1 N1 132.54(13) . . ?
O11 Ce1 N1 73.60(13) . . ?
O10 Ce1 N1 134.93(13) . . ?
N2 Ce1 N1 118.50(14) . . ?
O8 Ag1 O1 148.01(15) 1_545 . ?
O8 Ag1 O2 157.62(15) 1_545 . ?
O1 Ag1 O2 53.87(13) . . ?
O8 Ag1 O8 83.29(14) 1_545 3_775 ?
O1 Ag1 O8 96.36(14) . 3_775 ?
O2 Ag1 O8 101.55(14) . 3_775 ?
O4 C1 O3 126.1(5) . . ?
O4 C1 C2 118.1(5) . . ?
O3 C1 C2 115.8(5) . . ?
N1 C2 C3 122.4(5) . . ?
N1 C2 C1 114.8(5) . . ?
C3 C2 C1 122.7(5) . . ?
C4 C3 C2 117.9(5) . . ?
C4 C3 H3 121.1 . . ?
C2 C3 H3 121.1 . . ?
C3 C4 C5 120.1(5) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C4 C5 C6 118.4(5) . . ?
C4 C5 H5 120.8 . . ?
C6 C5 H5 120.8 . . ?
N1 C6 C5 122.3(5) . . ?
N1 C6 C7 113.8(5) . . ?
C5 C6 C7 123.9(5) . . ?
O2 C7 O1 122.9(5) . . ?
O2 C7 C6 120.8(5) . . ?
O1 C7 C6 116.3(5) . . ?
O6 C8 O5 125.5(5) . . ?
O6 C8 C9 118.4(5) . . ?
O5 C8 C9 116.0(5) . . ?
N2 C9 C10 122.2(5) . . ?
N2 C9 C8 114.6(5) . . ?
C10 C9 C8 123.1(5) . . ?
C11 C10 C9 118.6(5) . . ?
C11 C10 H10A 120.7 . . ?
C9 C10 H10A 120.7 . . ?
C10 C11 C12 119.2(5) . . ?
C10 C11 H11 120.4 . . ?
C12 C11 H11 120.4 . . ?
C13 C12 C11 118.8(6) . . ?
C13 C12 H12 120.6 . . ?
C11 C12 H12 120.6 . . ?
N2 C13 C12 122.7(5) . . ?
N2 C13 C14 114.0(5) . . ?
C12 C13 C14 123.3(5) . . ?
O8 C14 O7 124.2(5) . . ?
O8 C14 C13 118.3(5) . . ?
O7 C14 C13 117.4(5) . . ?
C2 N1 C6 118.9(5) . . ?
C2 N1 Ce1 120.1(3) . . ?
C6 N1 Ce1 120.9(3) . . ?
C9 N2 C13 118.5(5) . . ?
C9 N2 Ce1 121.2(4) . . ?
C13 N2 Ce1 120.1(3) . . ?
C7 O1 Ag1 96.0(3) . . ?
C7 O1 Ce1 127.8(4) . . ?
Ag1 O1 Ce1 136.13(16) . . ?
C7 O2 Ag1 86.8(3) . . ?
C1 O3 Ce1 127.7(3) . . ?
C8 O5 Ce1 126.8(3) . . ?
C14 O7 Ce1 125.4(3) . . ?
C14 O8 Ag1 101.0(3) . 1_565 ?
C14 O8 Ag1 162.3(4) . 3_775 ?
Ag1 O8 Ag1 96.71(14) 1_565 3_775 ?
Ce1 O9 H9A 127.2 . . ?
Ce1 O9 H9B 127.1 . . ?
H9A O9 H9B 104.1 . . ?
Ce1 O10 H10C 103.5 . . ?
Ce1 O10 H10B 127.5 . . ?
H10C O10 H10B 115.4 . . ?
Ce1 O11 H11A 110(5) . . ?
Ce1 O11 H11B 131(4) . . ?
H11A O11 H11B 109(7) . . ?
H12A O12 H12B 107.1 . . ?
H13A O13 H13B 94.7 . . ?
H14A O14 H14B 113.1 . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.368
_refine_diff_density_min         -2.631
_refine_diff_density_rms         0.113

#===END

data_3
_database_code_depnum_ccdc_archive 'CCDC 650357'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C14 H18 Ag N2 Nd O14'
_chemical_formula_weight         690.41

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'
Nd Nd -0.1943 3.0179 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   14.582(3)
_cell_length_b                   7.3325(15)
_cell_length_c                   19.606(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.99(3)
_cell_angle_gamma                90.00
_cell_volume                     2076.0(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6704
_cell_measurement_theta_min      1.6362
_cell_measurement_theta_max      27.9123

_exptl_crystal_description       PRISM
_exptl_crystal_colour            PURPLE
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.209
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1340
_exptl_absorpt_coefficient_mu    3.493
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6406
_exptl_absorpt_correction_T_max  0.7215
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'

_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  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            20051
_diffrn_reflns_av_R_equivalents  0.0405
_diffrn_reflns_av_sigmaI/netI    0.0250
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.64
_diffrn_reflns_theta_max         25.01
_reflns_number_total             3665
_reflns_number_gt                3503
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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 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)+(0.0311P)²+9.4772P] 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         3665
_refine_ls_number_parameters     289
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0288
_refine_ls_wR_factor_ref         0.0697
_refine_ls_wR_factor_gt          0.0685
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.630
_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
Nd1 Nd 0.79324(2) 0.54911(4) 0.137648(16) 0.00866(13) Uani 1 1 d . . .
Ag1 Ag 0.87750(4) 1.00514(9) 0.00556(5) 0.0486(2) Uani 1 1 d U . .
C1 C 0.9498(4) 0.8859(9) 0.1867(3) 0.0134(13) Uani 1 1 d . . .
C2 C 1.0085(4) 0.7578(9) 0.1502(3) 0.0141(13) Uani 1 1 d . . .
C3 C 1.1018(5) 0.7879(10) 0.1465(4) 0.0201(15) Uani 1 1 d . . .
H3 H 1.1307 0.8938 0.1647 0.024 Uiso 1 1 calc R . .
C4 C 1.1511(5) 0.6582(10) 0.1155(4) 0.0246(16) Uani 1 1 d . . .
H4 H 1.2137 0.6747 0.1127 0.030 Uiso 1 1 calc R . .
C5 C 1.1051(5) 0.5027(10) 0.0885(4) 0.0190(15) Uani 1 1 d . . .
H5 H 1.1366 0.4119 0.0681 0.023 Uiso 1 1 calc R . .
C6 C 1.0119(5) 0.4857(9) 0.0927(3) 0.0130(13) Uani 1 1 d . . .
C7 C 0.9544(4) 0.3255(9) 0.0636(3) 0.0141(13) Uani 1 1 d . . .
C8 C 0.7336(4) 0.7603(9) -0.0163(3) 0.0153(14) Uani 1 1 d . . .
C9 C 0.6676(4) 0.6012(9) -0.0262(3) 0.0124(13) Uani 1 1 d . . .
C10 C 0.6082(5) 0.5691(9) -0.0866(3) 0.0173(14) Uani 1 1 d . . .
H10 H 0.6051 0.6499 -0.1234 0.021 Uiso 1 1 calc R . .
C11 C 0.5532(5) 0.4133(10) -0.0910(3) 0.0191(14) Uani 1 1 d . . .
H11 H 0.5123 0.3886 -0.1307 0.023 Uiso 1 1 calc R . .
C12 C 0.5602(4) 0.2955(9) -0.0351(3) 0.0167(14) Uani 1 1 d . . .
H12 H 0.5244 0.1902 -0.0367 0.020 Uiso 1 1 calc R . .
C13 C 0.6222(4) 0.3384(8) 0.0232(3) 0.0111(12) Uani 1 1 d . . .
C14 C 0.6347(4) 0.2194(9) 0.0873(3) 0.0127(13) Uani 1 1 d . . .
N1 N 0.9646(4) 0.6099(7) 0.1234(3) 0.0122(11) Uani 1 1 d . . .
N2 N 0.6745(4) 0.4877(7) 0.0278(3) 0.0110(11) Uani 1 1 d . . .
O2 O 0.9852(3) 1.0311(6) 0.2104(3) 0.0191(10) Uani 1 1 d . . .
O3 O 0.8675(3) 0.8327(6) 0.1894(2) 0.0131(9) Uani 1 1 d . . .
O4 O 0.8685(3) 0.3302(6) 0.0669(2) 0.0151(9) Uani 1 1 d . . .
O5 O 0.9946(3) 0.1973(6) 0.0370(3) 0.0219(11) Uani 1 1 d . . .
O6 O 0.7334(3) 0.8791(7) -0.0612(2) 0.0212(11) Uani 1 1 d . . .
O7 O 0.7900(3) 0.7619(6) 0.0397(2) 0.0147(9) Uani 1 1 d . . .
O8 O 0.6915(3) 0.2794(6) 0.1374(2) 0.0143(9) Uani 1 1 d . . .
O9 O 0.5888(3) 0.0762(6) 0.0862(2) 0.0171(10) Uani 1 1 d . . .
O10 O 0.8959(3) 0.3486(6) 0.2204(2) 0.0141(9) Uani 1 1 d . . .
H10A H 0.9418 0.3994 0.2461 0.017 Uiso 1 1 d R . .
H10B H 0.9232 0.2497 0.2124 0.017 Uiso 1 1 d R . .
O11 O 0.7470(3) 0.5599(6) 0.2534(2) 0.0131(9) Uani 1 1 d . . .
H11A H 0.7741 0.6284 0.2883 0.016 Uiso 1 1 d R . .
H11B H 0.7056 0.4855 0.2659 0.016 Uiso 1 1 d R . .
O12 O 0.6584(3) 0.7558(6) 0.1453(2) 0.0133(9) Uani 1 1 d . . .
H12A H 0.6508 0.7771 0.1902 0.016 Uiso 1 1 d R . .
H12B H 0.6434 0.8472 0.1230 0.016 Uiso 1 1 d R . .
O13 O 0.3320(3) 0.6565(8) 0.2394(3) 0.0311(13) Uani 1 1 d . . .
H13A H 0.3929 0.6295 0.2534 0.037 Uiso 1 1 d R . .
H13B H 0.3377 0.7737 0.2269 0.037 Uiso 1 1 d R . .
O14 O 0.3072(3) 0.0220(7) 0.1958(2) 0.0217(11) Uani 1 1 d . . .
H14A H 0.2628 0.0637 0.2202 0.026 Uiso 1 1 d R . .
H14B H 0.2865 0.0539 0.1491 0.026 Uiso 1 1 d R . .
O15 O 0.0061(3) 0.5781(7) 0.2956(2) 0.0227(11) Uani 1 1 d . . .
H15A H -0.0108 0.5803 0.3379 0.027 Uiso 1 1 d R . .
H15B H 0.0780 0.5730 0.2964 0.027 Uiso 1 1 d R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Nd1 O11 2.457(4) . ?
Nd1 O7 2.469(4) . ?
Nd1 O8 2.472(4) . ?
Nd1 O4 2.475(4) . ?
Nd1 O3 2.494(4) . ?
Nd1 O12 2.504(4) . ?
Nd1 O10 2.521(4) . ?
Nd1 N1 2.591(5) . ?
Nd1 N2 2.609(5) . ?
Ag1 O5 2.233(5) 1_565 ?
Ag1 O7 2.345(4) . ?
Ag1 O6 2.493(5) . ?
C1 O2 1.244(8) . ?
C1 O3 1.271(8) . ?
C1 C2 1.516(9) . ?
C2 N1 1.330(8) . ?
C2 C3 1.389(9) . ?
C3 C4 1.384(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.389(10) . ?
C4 H4 0.9300 . ?
C5 C6 1.379(9) . ?
C5 H5 0.9300 . ?
C6 N1 1.335(8) . ?
C6 C7 1.507(9) . ?
C7 O5 1.258(8) . ?
C7 O4 1.264(8) . ?
C8 O6 1.239(8) . ?
C8 O7 1.277(8) . ?
C8 C9 1.507(9) . ?
C9 N2 1.339(8) . ?
C9 C10 1.387(9) . ?
C10 C11 1.391(10) . ?
C10 H10 0.9300 . ?
C11 C12 1.387(9) . ?
C11 H11 0.9300 . ?
C12 C13 1.392(9) . ?
C12 H12 0.9300 . ?
C13 N2 1.331(8) . ?
C13 C14 1.519(9) . ?
C14 O9 1.244(8) . ?
C14 O8 1.272(8) . ?
O5 Ag1 2.233(5) 1_545 ?
O10 H10A 0.8646 . ?
O10 H10B 0.8523 . ?
O11 H11A 0.8957 . ?
O11 H11B 0.8731 . ?
O12 H12A 0.9146 . ?
O12 H12B 0.8139 . ?
O13 H13A 0.9140 . ?
O13 H13B 0.9005 . ?
O14 H14A 0.9105 . ?
O14 H14B 0.9522 . ?
O15 H15A 0.8985 . ?
O15 H15B 1.0472 . ?

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
O11 Nd1 O7 136.01(14) . . ?
O11 Nd1 O8 77.65(14) . . ?
O7 Nd1 O8 123.85(14) . . ?
O11 Nd1 O4 137.59(15) . . ?
O7 Nd1 O4 86.36(15) . . ?
O8 Nd1 O4 78.03(15) . . ?
O11 Nd1 O3 75.90(14) . . ?
O7 Nd1 O3 75.52(14) . . ?
O8 Nd1 O3 153.42(14) . . ?
O4 Nd1 O3 124.58(14) . . ?
O11 Nd1 O12 66.80(14) . . ?
O7 Nd1 O12 74.56(14) . . ?
O8 Nd1 O12 90.47(15) . . ?
O4 Nd1 O12 147.06(14) . . ?
O3 Nd1 O12 76.76(14) . . ?
O11 Nd1 O10 68.86(14) . . ?
O7 Nd1 O10 144.51(14) . . ?
O8 Nd1 O10 80.64(14) . . ?
O4 Nd1 O10 73.29(14) . . ?
O3 Nd1 O10 92.24(14) . . ?
O12 Nd1 O10 135.66(14) . . ?
O11 Nd1 N1 119.12(16) . . ?
O7 Nd1 N1 73.88(16) . . ?
O8 Nd1 N1 136.45(16) . . ?
O4 Nd1 N1 62.73(15) . . ?
O3 Nd1 N1 61.97(15) . . ?
O12 Nd1 N1 132.82(16) . . ?
O10 Nd1 N1 71.00(15) . . ?
O11 Nd1 N2 122.16(15) . . ?
O7 Nd1 N2 61.84(15) . . ?
O8 Nd1 N2 62.01(15) . . ?
O4 Nd1 N2 73.78(15) . . ?
O3 Nd1 N2 132.90(15) . . ?
O12 Nd1 N2 73.57(15) . . ?
O10 Nd1 N2 134.20(15) . . ?
N1 Nd1 N2 118.69(16) . . ?
O5 Ag1 O7 145.75(17) 1_565 . ?
O5 Ag1 O6 159.20(18) 1_565 . ?
O7 Ag1 O6 54.25(15) . . ?
O2 C1 O3 126.3(6) . . ?
O2 C1 C2 118.3(6) . . ?
O3 C1 C2 115.4(5) . . ?
N1 C2 C3 122.0(6) . . ?
N1 C2 C1 114.8(5) . . ?
C3 C2 C1 123.2(6) . . ?
C4 C3 C2 119.1(6) . . ?
C4 C3 H3 120.5 . . ?
C2 C3 H3 120.5 . . ?
C3 C4 C5 118.6(6) . . ?
C3 C4 H4 120.7 . . ?
C5 C4 H4 120.7 . . ?
C6 C5 C4 118.6(6) . . ?
C6 C5 H5 120.7 . . ?
C4 C5 H5 120.7 . . ?
N1 C6 C5 122.7(6) . . ?
N1 C6 C7 114.1(6) . . ?
C5 C6 C7 123.2(6) . . ?
O5 C7 O4 124.3(6) . . ?
O5 C7 C6 118.2(6) . . ?
O4 C7 C6 117.5(6) . . ?
O6 C8 O7 122.8(6) . . ?
O6 C8 C9 120.9(6) . . ?
O7 C8 C9 116.2(6) . . ?
N2 C9 C10 122.6(6) . . ?
N2 C9 C8 113.7(5) . . ?
C10 C9 C8 123.6(6) . . ?
C9 C10 C11 118.5(6) . . ?
C9 C10 H10 120.7 . . ?
C11 C10 H10 120.7 . . ?
C12 C11 C10 119.0(6) . . ?
C12 C11 H11 120.5 . . ?
C10 C11 H11 120.5 . . ?
C11 C12 C13 118.5(6) . . ?
C11 C12 H12 120.8 . . ?
C13 C12 H12 120.8 . . ?
N2 C13 C12 122.8(6) . . ?
N2 C13 C14 114.6(5) . . ?
C12 C13 C14 122.7(6) . . ?
O9 C14 O8 126.6(6) . . ?
O9 C14 C13 117.9(6) . . ?
O8 C14 C13 115.5(5) . . ?
C2 N1 C6 119.0(5) . . ?
C2 N1 Nd1 121.1(4) . . ?
C6 N1 Nd1 119.8(4) . . ?
C13 N2 C9 118.7(5) . . ?
C13 N2 Nd1 120.4(4) . . ?
C9 N2 Nd1 120.9(4) . . ?
C1 O3 Nd1 126.7(4) . . ?
C7 O4 Nd1 124.5(4) . . ?
C7 O5 Ag1 101.8(4) . 1_545 ?
C8 O6 Ag1 88.2(4) . . ?
C8 O7 Ag1 94.2(4) . . ?
C8 O7 Nd1 127.1(4) . . ?
Ag1 O7 Nd1 138.64(19) . . ?
C14 O8 Nd1 127.2(4) . . ?
Nd1 O10 H10A 117.8 . . ?
Nd1 O10 H10B 129.0 . . ?
H10A O10 H10B 97.5 . . ?
Nd1 O11 H11A 125.1 . . ?
Nd1 O11 H11B 121.9 . . ?
H11A O11 H11B 112.6 . . ?
Nd1 O12 H12A 111.2 . . ?
Nd1 O12 H12B 128.3 . . ?
H12A O12 H12B 108.5 . . ?
H13A O13 H13B 99.6 . . ?
H14A O14 H14B 105.6 . . ?
H15A O15 H15B 112.8 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O2 C1 C2 N1 -176.9(6) . . . . ?
O3 C1 C2 N1 2.6(8) . . . . ?
O2 C1 C2 C3 5.1(10) . . . . ?
O3 C1 C2 C3 -175.4(6) . . . . ?
N1 C2 C3 C4 -1.5(10) . . . . ?
C1 C2 C3 C4 176.4(6) . . . . ?
C2 C3 C4 C5 0.5(11) . . . . ?
C3 C4 C5 C6 1.2(11) . . . . ?
C4 C5 C6 N1 -2.1(10) . . . . ?
C4 C5 C6 C7 178.3(6) . . . . ?
N1 C6 C7 O5 -176.2(6) . . . . ?
C5 C6 C7 O5 3.4(10) . . . . ?
N1 C6 C7 O4 4.5(8) . . . . ?
C5 C6 C7 O4 -175.9(6) . . . . ?
O6 C8 C9 N2 -178.2(6) . . . . ?
O7 C8 C9 N2 3.5(8) . . . . ?
O6 C8 C9 C10 4.7(10) . . . . ?
O7 C8 C9 C10 -173.6(6) . . . . ?
N2 C9 C10 C11 0.4(10) . . . . ?
C8 C9 C10 C11 177.2(6) . . . . ?
C9 C10 C11 C12 -0.5(10) . . . . ?
C10 C11 C12 C13 0.1(10) . . . . ?
C11 C12 C13 N2 0.3(10) . . . . ?
C11 C12 C13 C14 179.5(6) . . . . ?
N2 C13 C14 O9 -179.0(6) . . . . ?
C12 C13 C14 O9 1.7(9) . . . . ?
N2 C13 C14 O8 1.6(8) . . . . ?
C12 C13 C14 O8 -177.7(6) . . . . ?
C3 C2 N1 C6 0.7(9) . . . . ?
C1 C2 N1 C6 -177.4(6) . . . . ?
C3 C2 N1 Nd1 176.3(5) . . . . ?
C1 C2 N1 Nd1 -1.8(7) . . . . ?
C5 C6 N1 C2 1.1(10) . . . . ?
C7 C6 N1 C2 -179.3(5) . . . . ?
C5 C6 N1 Nd1 -174.5(5) . . . . ?
C7 C6 N1 Nd1 5.1(7) . . . . ?
O11 Nd1 N1 C2 -51.7(5) . . . . ?
O7 Nd1 N1 C2 82.4(5) . . . . ?
O8 Nd1 N1 C2 -155.1(4) . . . . ?
O4 Nd1 N1 C2 176.7(5) . . . . ?
O3 Nd1 N1 C2 0.5(4) . . . . ?
O12 Nd1 N1 C2 32.6(5) . . . . ?
O10 Nd1 N1 C2 -102.8(5) . . . . ?
N2 Nd1 N1 C2 126.5(5) . . . . ?
O11 Nd1 N1 C6 123.8(4) . . . . ?
O7 Nd1 N1 C6 -102.0(5) . . . . ?
O8 Nd1 N1 C6 20.5(6) . . . . ?
O4 Nd1 N1 C6 -7.8(4) . . . . ?
O3 Nd1 N1 C6 176.1(5) . . . . ?
O12 Nd1 N1 C6 -151.8(4) . . . . ?
O10 Nd1 N1 C6 72.8(5) . . . . ?
N2 Nd1 N1 C6 -57.9(5) . . . . ?
C12 C13 N2 C9 -0.3(9) . . . . ?
C14 C13 N2 C9 -179.7(5) . . . . ?
C12 C13 N2 Nd1 -177.5(5) . . . . ?
C14 C13 N2 Nd1 3.1(7) . . . . ?
C10 C9 N2 C13 0.0(9) . . . . ?
C8 C9 N2 C13 -177.1(5) . . . . ?
C10 C9 N2 Nd1 177.2(5) . . . . ?
C8 C9 N2 Nd1 0.1(7) . . . . ?
O11 Nd1 N2 C13 -55.9(5) . . . . ?
O7 Nd1 N2 C13 175.2(5) . . . . ?
O8 Nd1 N2 C13 -4.2(4) . . . . ?
O4 Nd1 N2 C13 80.6(5) . . . . ?
O3 Nd1 N2 C13 -156.9(4) . . . . ?
O12 Nd1 N2 C13 -103.8(5) . . . . ?
O10 Nd1 N2 C13 35.1(5) . . . . ?
N1 Nd1 N2 C13 125.9(4) . . . . ?
O11 Nd1 N2 C9 127.0(4) . . . . ?
O7 Nd1 N2 C9 -1.9(4) . . . . ?
O8 Nd1 N2 C9 178.6(5) . . . . ?
O4 Nd1 N2 C9 -96.5(5) . . . . ?
O3 Nd1 N2 C9 25.9(5) . . . . ?
O12 Nd1 N2 C9 79.1(5) . . . . ?
O10 Nd1 N2 C9 -142.1(4) . . . . ?
N1 Nd1 N2 C9 -51.2(5) . . . . ?
O2 C1 O3 Nd1 177.0(5) . . . . ?
C2 C1 O3 Nd1 -2.5(8) . . . . ?
O11 Nd1 O3 C1 135.8(5) . . . . ?
O7 Nd1 O3 C1 -78.0(5) . . . . ?
O8 Nd1 O3 C1 141.6(5) . . . . ?
O4 Nd1 O3 C1 -2.9(5) . . . . ?
O12 Nd1 O3 C1 -155.2(5) . . . . ?
O10 Nd1 O3 C1 68.2(5) . . . . ?
N1 Nd1 O3 C1 1.2(5) . . . . ?
N2 Nd1 O3 C1 -103.2(5) . . . . ?
O5 C7 O4 Nd1 167.8(5) . . . . ?
C6 C7 O4 Nd1 -12.9(8) . . . . ?
O11 Nd1 O4 C7 -93.3(5) . . . . ?
O7 Nd1 O4 C7 84.8(5) . . . . ?
O8 Nd1 O4 C7 -149.5(5) . . . . ?
O3 Nd1 O4 C7 15.1(5) . . . . ?
O12 Nd1 O4 C7 138.7(5) . . . . ?
O10 Nd1 O4 C7 -65.8(5) . . . . ?
N1 Nd1 O4 C7 11.0(5) . . . . ?
N2 Nd1 O4 C7 146.5(5) . . . . ?
O4 C7 O5 Ag1 -1.5(7) . . . 1_545 ?
C6 C7 O5 Ag1 179.3(5) . . . 1_545 ?
O7 C8 O6 Ag1 7.3(6) . . . . ?
C9 C8 O6 Ag1 -170.9(5) . . . . ?
O5 Ag1 O6 C8 -170.7(5) 1_565 . . . ?
O7 Ag1 O6 C8 -4.1(4) . . . . ?
O6 C8 O7 Ag1 -7.8(7) . . . . ?
C9 C8 O7 Ag1 170.5(5) . . . . ?
O6 C8 O7 Nd1 175.7(5) . . . . ?
C9 C8 O7 Nd1 -6.0(8) . . . . ?
O5 Ag1 O7 C8 175.6(4) 1_565 . . . ?
O6 Ag1 O7 C8 4.0(3) . . . . ?
O5 Ag1 O7 Nd1 -8.5(5) 1_565 . . . ?
O6 Ag1 O7 Nd1 179.8(4) . . . . ?
O11 Nd1 O7 C8 -104.0(5) . . . . ?
O8 Nd1 O7 C8 5.0(6) . . . . ?
O4 Nd1 O7 C8 77.9(5) . . . . ?
O3 Nd1 O7 C8 -154.9(5) . . . . ?
O12 Nd1 O7 C8 -75.0(5) . . . . ?
O10 Nd1 O7 C8 132.1(5) . . . . ?
N1 Nd1 O7 C8 140.6(5) . . . . ?
N2 Nd1 O7 C8 4.4(5) . . . . ?
O11 Nd1 O7 Ag1 81.2(4) . . . . ?
O8 Nd1 O7 Ag1 -169.9(3) . . . . ?
O4 Nd1 O7 Ag1 -96.9(3) . . . . ?
O3 Nd1 O7 Ag1 30.2(3) . . . . ?
O12 Nd1 O7 Ag1 110.2(3) . . . . ?
O10 Nd1 O7 Ag1 -42.8(4) . . . . ?
N1 Nd1 O7 Ag1 -34.3(3) . . . . ?
N2 Nd1 O7 Ag1 -170.4(4) . . . . ?
O9 C14 O8 Nd1 174.4(5) . . . . ?
C13 C14 O8 Nd1 -6.3(7) . . . . ?
O11 Nd1 O8 C14 142.9(5) . . . . ?
O7 Nd1 O8 C14 5.1(5) . . . . ?
O4 Nd1 O8 C14 -72.1(5) . . . . ?
O3 Nd1 O8 C14 137.1(5) . . . . ?
O12 Nd1 O8 C14 76.8(5) . . . . ?
O10 Nd1 O8 C14 -146.9(5) . . . . ?
N1 Nd1 O8 C14 -97.6(5) . . . . ?
N2 Nd1 O8 C14 5.7(5) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.648
_refine_diff_density_min         -2.489
_refine_diff_density_rms         0.128

