# 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        'Hong Deng'
_publ_contact_author_email       DH@SCNU.EDU.CN

_publ_section_title              
;
Rationally Designed and Controlled Syntheses of
Different Series of 4d-4f Heterometallic Coordination Frameworks
Based on Lanthanide Carboxylate and Ag(IN)2 Substructures
;
loop_
_publ_author_name
'Hong Deng.'
'Zhihui Liu.'
'Jixia Mou.'
'Yongcai Qiu.'
'Matthias Zeller'

# Attachment 'Cifs.cif'

data_1a
_database_code_depnum_ccdc_archive 'CCDC 713246'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C14 H13 Ag N2 O7 Tb, Cl O4'
_chemical_formula_sum            'C14 H13 Ag Cl N2 O11 Tb'
_chemical_formula_weight         687.50

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'

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                   16.2107(4)
_cell_length_b                   14.9781(4)
_cell_length_c                   7.9573(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.0690(10)
_cell_angle_gamma                90.00
_cell_volume                     1930.82(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4200
_cell_measurement_theta_min      1.36
_cell_measurement_theta_max      28.00

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.365
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1312
_exptl_absorpt_coefficient_mu    4.848
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.418
_exptl_absorpt_correction_T_max  0.551
_exptl_absorpt_process_details   'Apex2 v2.1-4 (Bruker, 2007)'

_exptl_special_details           
;
one crystallographically independent perchlride anion
is disordered over two positions; the disorder refined to
0.519(14):0.481(14). The Cl...O and O...O distances were
restrainted to be 1.45+-0.01 and 2.40+-0.01 Å.
Carbon-bound H atoms were placed at calculated
positions and were treated as riding on the parent C atoms.
The water H atoms were located in a difference Fourier map,
and were refined with distance restraints of O--H 0.83+-0.01
Å and H...H 1.35+-0.01 Å; their temperature factors were
freely refined.
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker AXS SMART APEX CCD diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            20860
_diffrn_reflns_av_R_equivalents  0.0251
_diffrn_reflns_av_sigmaI/netI    0.0192
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         1.85
_diffrn_reflns_theta_max         27.50
_reflns_number_total             4328
_reflns_number_gt                3980
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Apex2 v2.1-4 (Bruker, 2007)'
_computing_cell_refinement       'Apex2 v2.1-4'
_computing_data_reduction        'Apex2 v2.1-4'
_computing_structure_solution    'SHELXTL 6.14 (Bruker, 2000-2003)'
_computing_structure_refinement  'SHELXTL 6.14'
_computing_molecular_graphics    'SHELXTL 6.14'
_computing_publication_material  'SHELXTL 6.14'

_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)+(0.0277P)²+1.5443P] 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         4328
_refine_ls_number_parameters     315
_refine_ls_number_restraints     53
_refine_ls_R_factor_all          0.0215
_refine_ls_R_factor_gt           0.0189
_refine_ls_wR_factor_ref         0.0490
_refine_ls_wR_factor_gt          0.0475
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.027245(16) 0.26053(2) 0.39942(4) 0.05886(10) Uani 1 1 d . . .
Tb1 Tb 0.453837(7) 0.616361(8) 0.048911(14) 0.01817(5) Uani 1 1 d . . .
C1 C -0.1324(2) 0.3286(2) 0.5406(4) 0.0430(8) Uani 1 1 d . . .
H1 H -0.1059 0.3827 0.5232 0.052 Uiso 1 1 calc R . .
C2 C -0.21015(18) 0.3292(2) 0.6066(4) 0.0344(7) Uani 1 1 d . . .
H2 H -0.2350 0.3829 0.6346 0.041 Uiso 1 1 calc R . .
C3 C -0.25063(15) 0.24911(18) 0.6306(3) 0.0229(5) Uani 1 1 d . . .
C4 C -0.21139(16) 0.1711(2) 0.5886(4) 0.0308(6) Uani 1 1 d . . .
H4 H -0.2371 0.1163 0.6030 0.037 Uiso 1 1 calc R . .
C5 C -0.13298(17) 0.1752(2) 0.5245(4) 0.0365(7) Uani 1 1 d . . .
H5 H -0.1066 0.1223 0.4970 0.044 Uiso 1 1 calc R . .
C6 C -0.33574(15) 0.24908(17) 0.7001(3) 0.0208(5) Uani 1 1 d . . .
C7 C 0.2114(2) 0.2529(2) 0.2939(5) 0.0449(8) Uani 1 1 d . . .
H7 H 0.2089 0.1930 0.3244 0.054 Uiso 1 1 calc R . .
C8 C 0.28536(18) 0.2873(2) 0.2422(4) 0.0388(7) Uani 1 1 d . . .
H8 H 0.3317 0.2509 0.2378 0.047 Uiso 1 1 calc R . .
C9 C 0.28995(17) 0.37570(18) 0.1974(4) 0.0277(6) Uani 1 1 d . . .
C10 C 0.21958(18) 0.4270(2) 0.2041(4) 0.0376(7) Uani 1 1 d . . .
H10 H 0.2207 0.4870 0.1743 0.045 Uiso 1 1 calc R . .
C11 C 0.1474(2) 0.3885(2) 0.2554(5) 0.0479(9) Uani 1 1 d . . .
H11 H 0.1000 0.4235 0.2581 0.058 Uiso 1 1 calc R . .
C12 C 0.36818(17) 0.4185(2) 0.1410(4) 0.0302(6) Uani 1 1 d . . .
C13 C 0.57030(17) 0.54235(19) 0.2877(3) 0.0271(6) Uani 1 1 d . . .
C14 C 0.6365(2) 0.5070(3) 0.4051(5) 0.0605(11) Uani 1 1 d . . .
H14A H 0.6798 0.5505 0.4181 0.091 Uiso 1 1 calc R . .
H14B H 0.6585 0.4529 0.3601 0.091 Uiso 1 1 calc R . .
H14C H 0.6138 0.4951 0.5126 0.091 Uiso 1 1 calc R . .
N1 N -0.09393(15) 0.25295(19) 0.5010(3) 0.0382(6) Uani 1 1 d . . .
N2 N 0.14304(15) 0.3031(2) 0.3014(4) 0.0439(7) Uani 1 1 d . . .
O1 O -0.35717(11) 0.31548(13) 0.7817(3) 0.0309(4) Uani 1 1 d . . .
O2 O -0.38065(11) 0.18103(13) 0.6720(2) 0.0262(4) Uani 1 1 d . . .
O3 O 0.42524(13) 0.36614(14) 0.0980(3) 0.0403(6) Uani 1 1 d . . .
O4 O 0.37085(13) 0.50152(14) 0.1419(3) 0.0414(5) Uani 1 1 d . . .
O5 O 0.54984(13) 0.49836(14) 0.1575(2) 0.0325(4) Uani 1 1 d . . .
O6 O 0.53502(14) 0.61551(14) 0.3131(3) 0.0367(5) Uani 1 1 d . . .
O1W O 0.49726(15) 0.76940(14) 0.0741(3) 0.0363(5) Uani 1 1 d D . .
H2W H 0.515(2) 0.8003(19) 0.000(3) 0.054 Uiso 1 1 d D . .
H1W H 0.478(2) 0.8029(18) 0.142(3) 0.054 Uiso 1 1 d D . .
Cl1 Cl 0.91888(6) 0.95928(6) 0.75570(12) 0.0524(2) Uani 0.519(14) 1 d PDU A 1
O7 O 0.9601(5) 1.0430(5) 0.7695(14) 0.062(3) Uani 0.519(14) 1 d PDU A 1
O8 O 0.9685(8) 0.8878(6) 0.8063(16) 0.147(7) Uani 0.519(14) 1 d PDU A 1
O9 O 0.8834(8) 0.9471(6) 0.5972(9) 0.120(6) Uani 0.519(14) 1 d PDU A 1
O10 O 0.8500(6) 0.9643(7) 0.8755(15) 0.130(6) Uani 0.519(14) 1 d PDU A 1
Cl1' Cl 0.91888(6) 0.95928(6) 0.75570(12) 0.0524(2) Uani 0.481(14) 1 d PD A 2
O7' O 0.9561(8) 1.0420(7) 0.7984(19) 0.120(7) Uani 0.481(14) 1 d PD A 2
O9' O 0.8356(4) 0.9712(5) 0.7013(18) 0.106(6) Uani 0.481(14) 1 d PD A 2
O8' O 0.9243(8) 0.8983(9) 0.8874(14) 0.147(8) Uani 0.481(14) 1 d PD A 2
O10' O 0.9625(8) 0.9202(7) 0.6147(16) 0.145(7) Uani 0.481(14) 1 d PD A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.154(2) . ?
Ag1 N2 2.155(2) . ?
Tb1 O2 2.2990(18) 2 ?
Tb1 O4 2.3212(19) . ?
Tb1 O3 2.3332(19) 3_665 ?
Tb1 O1 2.3379(17) 3_566 ?
Tb1 O5 2.3762(19) 3_665 ?
Tb1 O1W 2.404(2) . ?
Tb1 O6 2.439(2) . ?
Tb1 O5 2.4889(19) . ?
Tb1 Tb1 3.8834(2) 3_665 ?
C1 N1 1.336(4) . ?
C1 C2 1.383(4) . ?
C1 H1 0.9300 . ?
C2 C3 1.384(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.378(4) . ?
C3 C6 1.505(3) . ?
C4 C5 1.388(4) . ?
C4 H4 0.9300 . ?
C5 N1 1.342(4) . ?
C5 H5 0.9300 . ?
C6 O1 1.244(3) . ?
C6 O2 1.268(3) . ?
C7 N2 1.342(4) . ?
C7 C8 1.381(4) . ?
C7 H7 0.9300 . ?
C8 C9 1.374(4) . ?
C8 H8 0.9300 . ?
C9 C10 1.378(4) . ?
C9 C12 1.504(4) . ?
C10 C11 1.379(4) . ?
C10 H10 0.9300 . ?
C11 N2 1.334(5) . ?
C11 H11 0.9300 . ?
C12 O4 1.244(4) . ?
C12 O3 1.269(3) . ?
C13 O6 1.256(3) . ?
C13 O5 1.262(3) . ?
C13 C14 1.495(4) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
O1 Tb1 2.3379(17) 3_566 ?
O2 Tb1 2.2990(18) 2_545 ?
O3 Tb1 2.3332(19) 3_665 ?
O5 Tb1 2.3762(19) 3_665 ?
O1W H2W 0.810(10) . ?
O1W H1W 0.807(10) . ?
Cl1 O9 1.380(5) . ?
Cl1 O8 1.390(6) . ?
Cl1 O7 1.423(6) . ?
Cl1 O10 1.496(6) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N2 165.81(11) . . ?
O2 Tb1 O4 105.48(8) 2 . ?
O2 Tb1 O3 89.38(8) 2 3_665 ?
O4 Tb1 O3 138.59(7) . 3_665 ?
O2 Tb1 O1 85.33(7) 2 3_566 ?
O4 Tb1 O1 74.43(7) . 3_566 ?
O3 Tb1 O1 146.36(7) 3_665 3_566 ?
O2 Tb1 O5 77.11(7) 2 3_665 ?
O4 Tb1 O5 71.58(8) . 3_665 ?
O3 Tb1 O5 74.66(8) 3_665 3_665 ?
O1 Tb1 O5 135.52(7) 3_566 3_665 ?
O2 Tb1 O1W 78.67(8) 2 . ?
O4 Tb1 O1W 148.36(7) . . ?
O3 Tb1 O1W 71.69(7) 3_665 . ?
O1 Tb1 O1W 74.69(7) 3_566 . ?
O5 Tb1 O1W 138.34(7) 3_665 . ?
O2 Tb1 O6 155.30(7) 2 . ?
O4 Tb1 O6 91.27(9) . . ?
O3 Tb1 O6 89.74(8) 3_665 . ?
O1 Tb1 O6 81.81(7) 3_566 . ?
O5 Tb1 O6 126.23(7) 3_665 . ?
O1W Tb1 O6 77.64(8) . . ?
O2 Tb1 O5 149.72(6) 2 . ?
O4 Tb1 O5 74.06(8) . . ?
O3 Tb1 O5 74.19(8) 3_665 . ?
O1 Tb1 O5 122.26(7) 3_566 . ?
O5 Tb1 O5 74.11(7) 3_665 . ?
O1W Tb1 O5 118.07(8) . . ?
O6 Tb1 O5 52.13(6) . . ?
O2 Tb1 Tb1 114.64(5) 2 3_665 ?
O4 Tb1 Tb1 68.33(5) . 3_665 ?
O3 Tb1 Tb1 70.34(5) 3_665 3_665 ?
O1 Tb1 Tb1 141.14(5) 3_566 3_665 ?
O5 Tb1 Tb1 38.06(5) 3_665 3_665 ?
O1W Tb1 Tb1 139.35(6) . 3_665 ?
O6 Tb1 Tb1 88.18(5) . 3_665 ?
O5 Tb1 Tb1 36.05(4) . 3_665 ?
N1 C1 C2 122.4(3) . . ?
N1 C1 H1 118.8 . . ?
C2 C1 H1 118.8 . . ?
C1 C2 C3 119.3(3) . . ?
C1 C2 H2 120.4 . . ?
C3 C2 H2 120.4 . . ?
C4 C3 C2 118.5(2) . . ?
C4 C3 C6 121.8(2) . . ?
C2 C3 C6 119.8(2) . . ?
C3 C4 C5 119.2(3) . . ?
C3 C4 H4 120.4 . . ?
C5 C4 H4 120.4 . . ?
N1 C5 C4 122.2(3) . . ?
N1 C5 H5 118.9 . . ?
C4 C5 H5 118.9 . . ?
O1 C6 O2 124.4(2) . . ?
O1 C6 C3 117.9(2) . . ?
O2 C6 C3 117.6(2) . . ?
N2 C7 C8 122.1(3) . . ?
N2 C7 H7 119.0 . . ?
C8 C7 H7 119.0 . . ?
C9 C8 C7 119.5(3) . . ?
C9 C8 H8 120.2 . . ?
C7 C8 H8 120.2 . . ?
C8 C9 C10 118.4(3) . . ?
C8 C9 C12 122.9(3) . . ?
C10 C9 C12 118.8(3) . . ?
C9 C10 C11 119.4(3) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
N2 C11 C10 122.4(3) . . ?
N2 C11 H11 118.8 . . ?
C10 C11 H11 118.8 . . ?
O4 C12 O3 126.4(2) . . ?
O4 C12 C9 117.0(2) . . ?
O3 C12 C9 116.6(3) . . ?
O6 C13 O5 118.7(2) . . ?
O6 C13 C14 122.0(3) . . ?
O5 C13 C14 119.4(3) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C1 N1 C5 118.5(2) . . ?
C1 N1 Ag1 118.9(2) . . ?
C5 N1 Ag1 122.6(2) . . ?
C11 N2 C7 118.3(3) . . ?
C11 N2 Ag1 116.0(2) . . ?
C7 N2 Ag1 125.6(2) . . ?
C6 O1 Tb1 148.83(17) . 3_566 ?
C6 O2 Tb1 138.66(17) . 2_545 ?
C12 O3 Tb1 134.36(18) . 3_665 ?
C12 O4 Tb1 139.40(17) . . ?
C13 O5 Tb1 160.77(19) . 3_665 ?
C13 O5 Tb1 93.25(16) . . ?
Tb1 O5 Tb1 105.89(7) 3_665 . ?
C13 O6 Tb1 95.77(16) . . ?
Tb1 O1W H2W 126(2) . . ?
Tb1 O1W H1W 122(2) . . ?
H2W O1W H1W 106.7(17) . . ?
O9 Cl1 O8 112.4(5) . . ?
O9 Cl1 O7 111.5(5) . . ?
O8 Cl1 O7 113.0(5) . . ?
O9 Cl1 O10 107.0(5) . . ?
O8 Cl1 O10 107.0(6) . . ?
O7 Cl1 O10 105.4(5) . . ?

_diffrn_measured_fraction_theta_max 0.976
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.976
_refine_diff_density_max         0.566
_refine_diff_density_min         -0.753
_refine_diff_density_rms         0.101

data_1b
_database_code_depnum_ccdc_archive 'CCDC 713247'

#====================================================================

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C14 H13 Ag Ho N2 O7, Cl O4'
_chemical_formula_sum            'C14 H13 Ag Cl Ho N2 O11'
_chemical_formula_weight         693.51

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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ho Ho -0.2175 4.6783 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/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                   16.2107(4)
_cell_length_b                   14.9781(4)
_cell_length_c                   7.9573(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.0690(10)
_cell_angle_gamma                90.00
_cell_volume                     1930.82(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4120
_cell_measurement_theta_min      1.36
_cell_measurement_theta_max      28.00

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.386
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1320
_exptl_absorpt_coefficient_mu    5.284
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3953
_exptl_absorpt_correction_T_max  0.4479
_exptl_absorpt_process_details   'Apex2 v2.1-4 (Bruker, 2007)'

_exptl_special_details           
;
one crystallographically independent perchlride anion
is disordered over two positions; the disorder refined to
0.587(17):0.413(17). The Cl...O and O...O distances were
restrainted to be 1.45+-0.01 and 2.40+-0.01 Å.
Carbon-bound H atoms were placed at calculated
positions and were treated as riding on the parent C atoms.
The water H atoms were located in a difference Fourier map,
and were refined with distance restraints of O--H 0.83+-0.01
Å and H...H 1.35+-0.01 Å; their temperature factors were
freely refined.
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker AXS SMART APEX CCD diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            20622
_diffrn_reflns_av_R_equivalents  0.0359
_diffrn_reflns_av_sigmaI/netI    0.0302
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         1.85
_diffrn_reflns_theta_max         27.50
_reflns_number_total             4379
_reflns_number_gt                3719
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Apex2 v2.1-4 (Bruker, 2007)'
_computing_cell_refinement       'Apex2 v2.1-4'
_computing_data_reduction        'Apex2 v2.1-4'
_computing_structure_solution    'SHELXTL 6.14 (Bruker, 2000-2003)'
_computing_structure_refinement  'SHELXTL 6.14'
_computing_molecular_graphics    'SHELXTL 6.14'
_computing_publication_material  'SHELXTL 6.14'

_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)+(0.0231P)²+1.5076P] 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         4379
_refine_ls_number_parameters     315
_refine_ls_number_restraints     53
_refine_ls_R_factor_all          0.0313
_refine_ls_R_factor_gt           0.0235
_refine_ls_wR_factor_ref         0.0521
_refine_ls_wR_factor_gt          0.0490
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.02698(2) 0.25929(3) 0.39979(6) 0.06051(12) Uani 1 1 d . . .
Ho1 Ho 0.454778(9) 0.616262(9) 0.05013(2) 0.01827(5) Uani 1 1 d . . .
C1 C -0.1330(3) 0.3281(3) 0.5406(6) 0.0435(11) Uani 1 1 d . . .
H1 H -0.1061 0.3821 0.5245 0.052 Uiso 1 1 calc R . .
C2 C -0.2113(2) 0.3290(2) 0.6053(5) 0.0351(9) Uani 1 1 d . . .
H2 H -0.2360 0.3828 0.6335 0.042 Uiso 1 1 calc R . .
C3 C -0.2527(2) 0.2486(2) 0.6278(4) 0.0228(7) Uani 1 1 d . . .
C4 C -0.2129(2) 0.1702(2) 0.5855(5) 0.0334(9) Uani 1 1 d . . .
H4 H -0.2388 0.1154 0.5991 0.040 Uiso 1 1 calc R . .
C5 C -0.1344(2) 0.1742(3) 0.5228(6) 0.0375(10) Uani 1 1 d . . .
H5 H -0.1082 0.1212 0.4952 0.045 Uiso 1 1 calc R . .
C6 C -0.3376(2) 0.2491(2) 0.6977(4) 0.0208(7) Uani 1 1 d . . .
C7 C 0.2119(3) 0.2528(3) 0.2940(6) 0.0463(12) Uani 1 1 d . . .
H7 H 0.2093 0.1929 0.3238 0.056 Uiso 1 1 calc R . .
C8 C 0.2858(2) 0.2869(2) 0.2430(6) 0.0393(10) Uani 1 1 d . . .
H8 H 0.3323 0.2506 0.2387 0.047 Uiso 1 1 calc R . .
C9 C 0.2900(2) 0.3765(2) 0.1980(5) 0.0272(8) Uani 1 1 d . . .
C10 C 0.2196(2) 0.4274(2) 0.2061(6) 0.0373(10) Uani 1 1 d . . .
H10 H 0.2207 0.4875 0.1772 0.045 Uiso 1 1 calc R . .
C11 C 0.1476(3) 0.3887(3) 0.2572(7) 0.0491(12) Uani 1 1 d . . .
H11 H 0.1002 0.4236 0.2605 0.059 Uiso 1 1 calc R . .
C12 C 0.3683(2) 0.4187(2) 0.1396(5) 0.0289(8) Uani 1 1 d . . .
C13 C 0.5691(2) 0.5417(2) 0.2864(5) 0.0270(8) Uani 1 1 d . . .
C14 C 0.6353(3) 0.5068(3) 0.4039(6) 0.0593(14) Uani 1 1 d . . .
H14A H 0.6727 0.5543 0.4347 0.089 Uiso 1 1 calc R . .
H14B H 0.6649 0.4601 0.3495 0.089 Uiso 1 1 calc R . .
H14C H 0.6109 0.4836 0.5029 0.089 Uiso 1 1 calc R . .
N1 N -0.09479(19) 0.2517(2) 0.5003(5) 0.0385(8) Uani 1 1 d . . .
N2 N 0.1433(2) 0.3029(2) 0.3023(5) 0.0444(9) Uani 1 1 d . . .
O1 O -0.35891(15) 0.31544(15) 0.7811(3) 0.0305(6) Uani 1 1 d . . .
O2 O -0.38288(14) 0.18110(15) 0.6685(3) 0.0266(5) Uani 1 1 d . . .
O3 O 0.42521(16) 0.36697(15) 0.0958(4) 0.0366(7) Uani 1 1 d . . .
O4 O 0.37096(16) 0.50296(15) 0.1413(4) 0.0381(7) Uani 1 1 d . . .
O5 O 0.54864(16) 0.49734(15) 0.1570(3) 0.0314(6) Uani 1 1 d . . .
O6 O 0.53407(17) 0.61525(16) 0.3125(3) 0.0356(6) Uani 1 1 d . . .
O1W O 0.49859(19) 0.76845(15) 0.0763(4) 0.0350(7) Uani 1 1 d D . .
H2W H 0.515(3) 0.801(2) 0.003(4) 0.052 Uiso 1 1 d D . .
H1W H 0.480(3) 0.801(2) 0.147(4) 0.052 Uiso 1 1 d D . .
Cl1 Cl 0.91867(8) 0.95980(8) 0.75618(17) 0.0555(3) Uani 0.587(17) 1 d PDU A 1
O7 O 0.9608(6) 1.0431(4) 0.7683(15) 0.069(4) Uani 0.587(17) 1 d PDU A 1
O8 O 0.9658(8) 0.8876(5) 0.8138(16) 0.130(7) Uani 0.587(17) 1 d PDU A 1
O9 O 0.8896(10) 0.9440(7) 0.5902(10) 0.131(7) Uani 0.587(17) 1 d PDU A 1
O10 O 0.8461(6) 0.9667(7) 0.863(2) 0.132(7) Uani 0.587(17) 1 d PDU A 1
Cl1' Cl 0.91867(8) 0.95980(8) 0.75618(17) 0.0555(3) Uani 0.413(17) 1 d PD A 2
O7' O 0.9538(10) 1.0443(8) 0.800(2) 0.120(10) Uani 0.413(17) 1 d PD A 2
O9' O 0.8362(6) 0.9696(7) 0.694(3) 0.096(7) Uani 0.413(17) 1 d PD A 2
O8' O 0.9219(12) 0.9011(12) 0.8951(18) 0.149(11) Uani 0.413(17) 1 d PD A 2
O10' O 0.9670(12) 0.9194(10) 0.624(2) 0.160(12) Uani 0.413(17) 1 d PD A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.160(3) . ?
Ag1 N2 2.166(3) . ?
Ho1 O2 2.277(2) 2 ?
Ho1 O4 2.307(2) . ?
Ho1 O3 2.315(2) 3_665 ?
Ho1 O1 2.327(2) 3_566 ?
Ho1 O5 2.368(2) 3_665 ?
Ho1 O1W 2.394(2) . ?
Ho1 O6 2.412(3) . ?
Ho1 O5 2.473(2) . ?
Ho1 C13 2.823(4) . ?
Ho1 Ho1 3.8730(3) 3_665 ?
C1 N1 1.346(5) . ?
C1 C2 1.387(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.393(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.386(5) . ?
C3 C6 1.504(4) . ?
C4 C5 1.385(5) . ?
C4 H4 0.9300 . ?
C5 N1 1.342(5) . ?
C5 H5 0.9300 . ?
C6 O1 1.250(4) . ?
C6 O2 1.272(4) . ?
C7 N2 1.345(5) . ?
C7 C8 1.378(5) . ?
C7 H7 0.9300 . ?
C8 C9 1.391(5) . ?
C8 H8 0.9300 . ?
C9 C10 1.375(5) . ?
C9 C12 1.507(5) . ?
C10 C11 1.378(5) . ?
C10 H10 0.9300 . ?
C11 N2 1.337(5) . ?
C11 H11 0.9300 . ?
C12 O4 1.262(4) . ?
C12 O3 1.263(4) . ?
C13 O6 1.260(4) . ?
C13 O5 1.260(4) . ?
C13 C14 1.492(5) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
O1 Ho1 2.327(2) 3_566 ?
O2 Ho1 2.277(2) 2_545 ?
O3 Ho1 2.315(2) 3_665 ?
O5 Ho1 2.368(2) 3_665 ?
O1W H2W 0.810(10) . ?
O1W H1W 0.811(10) . ?
Cl1 O8 1.393(6) . ?
Cl1 O9 1.406(6) . ?
Cl1 O7 1.424(5) . ?
Cl1 O10 1.477(6) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N2 165.45(13) . . ?
O2 Ho1 O4 105.25(10) 2 . ?
O2 Ho1 O3 89.24(10) 2 3_665 ?
O4 Ho1 O3 138.82(8) . 3_665 ?
O2 Ho1 O1 85.38(9) 2 3_566 ?
O4 Ho1 O1 74.26(8) . 3_566 ?
O3 Ho1 O1 146.36(8) 3_665 3_566 ?
O2 Ho1 O5 77.06(8) 2 3_665 ?
O4 Ho1 O5 72.01(9) . 3_665 ?
O3 Ho1 O5 74.21(9) 3_665 3_665 ?
O1 Ho1 O5 135.90(9) 3_566 3_665 ?
O2 Ho1 O1W 78.60(10) 2 . ?
O4 Ho1 O1W 148.12(9) . . ?
O3 Ho1 O1W 71.83(9) 3_665 . ?
O1 Ho1 O1W 74.55(9) 3_566 . ?
O5 Ho1 O1W 138.07(9) 3_665 . ?
O2 Ho1 O6 155.01(8) 2 . ?
O4 Ho1 O6 91.42(10) . . ?
O3 Ho1 O6 90.21(10) 3_665 . ?
O1 Ho1 O6 81.33(9) 3_566 . ?
O5 Ho1 O6 126.60(8) 3_665 . ?
O1W Ho1 O6 77.50(10) . . ?
O2 Ho1 O5 149.50(8) 2 . ?
O4 Ho1 O5 73.99(9) . . ?
O3 Ho1 O5 74.51(9) 3_665 . ?
O1 Ho1 O5 122.24(9) 3_566 . ?
O5 Ho1 O5 73.77(10) 3_665 . ?
O1W Ho1 O5 118.61(9) . . ?
O6 Ho1 O5 52.84(8) . . ?
O2 Ho1 C13 169.65(9) 2 . ?
O4 Ho1 C13 83.08(10) . . ?
O3 Ho1 C13 80.42(10) 3_665 . ?
O1 Ho1 C13 103.03(10) 3_566 . ?
O5 Ho1 C13 100.24(9) 3_665 . ?
O1W Ho1 C13 97.65(10) . . ?
O6 Ho1 C13 26.39(9) . . ?
O5 Ho1 C13 26.50(9) . . ?
O2 Ho1 Ho1 114.42(6) 2 3_665 ?
O4 Ho1 Ho1 68.59(6) . 3_665 ?
O3 Ho1 Ho1 70.31(6) 3_665 3_665 ?
O1 Ho1 Ho1 141.24(6) 3_566 3_665 ?
O5 Ho1 Ho1 37.82(6) 3_665 3_665 ?
O1W Ho1 Ho1 139.52(7) . 3_665 ?
O6 Ho1 Ho1 88.78(6) . 3_665 ?
O5 Ho1 Ho1 35.95(6) . 3_665 ?
C13 Ho1 Ho1 62.43(7) . 3_665 ?
N1 C1 C2 122.2(4) . . ?
N1 C1 H1 118.9 . . ?
C2 C1 H1 118.9 . . ?
C1 C2 C3 119.4(3) . . ?
C1 C2 H2 120.3 . . ?
C3 C2 H2 120.3 . . ?
C4 C3 C2 118.1(3) . . ?
C4 C3 C6 122.2(3) . . ?
C2 C3 C6 119.7(3) . . ?
C5 C4 C3 119.5(3) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
N1 C5 C4 122.4(3) . . ?
N1 C5 H5 118.8 . . ?
C4 C5 H5 118.8 . . ?
O1 C6 O2 124.4(3) . . ?
O1 C6 C3 118.3(3) . . ?
O2 C6 C3 117.3(3) . . ?
N2 C7 C8 122.5(4) . . ?
N2 C7 H7 118.8 . . ?
C8 C7 H7 118.8 . . ?
C7 C8 C9 118.9(4) . . ?
C7 C8 H8 120.5 . . ?
C9 C8 H8 120.5 . . ?
C10 C9 C8 118.4(3) . . ?
C10 C9 C12 119.4(3) . . ?
C8 C9 C12 122.2(3) . . ?
C9 C10 C11 119.6(4) . . ?
C9 C10 H10 120.2 . . ?
C11 C10 H10 120.2 . . ?
N2 C11 C10 122.4(4) . . ?
N2 C11 H11 118.8 . . ?
C10 C11 H11 118.8 . . ?
O4 C12 O3 126.3(3) . . ?
O4 C12 C9 116.4(3) . . ?
O3 C12 C9 117.3(3) . . ?
O6 C13 O5 119.2(3) . . ?
O6 C13 C14 121.4(3) . . ?
O5 C13 C14 119.3(3) . . ?
O6 C13 Ho1 58.31(19) . . ?
O5 C13 Ho1 61.11(18) . . ?
C14 C13 Ho1 175.0(3) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C5 N1 C1 118.5(3) . . ?
C5 N1 Ag1 122.9(3) . . ?
C1 N1 Ag1 118.6(3) . . ?
C11 N2 C7 118.2(3) . . ?
C11 N2 Ag1 116.1(3) . . ?
C7 N2 Ag1 125.5(3) . . ?
C6 O1 Ho1 149.1(2) . 3_566 ?
C6 O2 Ho1 139.2(2) . 2_545 ?
C12 O3 Ho1 135.0(2) . 3_665 ?
C12 O4 Ho1 138.7(2) . . ?
C13 O5 Ho1 161.2(2) . 3_665 ?
C13 O5 Ho1 92.4(2) . . ?
Ho1 O5 Ho1 106.23(9) 3_665 . ?
C13 O6 Ho1 95.3(2) . . ?
Ho1 O1W H2W 128(3) . . ?
Ho1 O1W H1W 121(3) . . ?
H2W O1W H1W 106.5(17) . . ?
O8 Cl1 O9 109.9(5) . . ?
O8 Cl1 O7 113.7(5) . . ?
O9 Cl1 O7 110.8(5) . . ?
O8 Cl1 O10 107.7(5) . . ?
O9 Cl1 O10 107.6(5) . . ?
O7 Cl1 O10 106.8(5) . . ?

_diffrn_measured_fraction_theta_max 0.987
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.987
_refine_diff_density_max         0.632
_refine_diff_density_min         -0.634
_refine_diff_density_rms         0.108

data_2c
_database_code_depnum_ccdc_archive 'CCDC 713248'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38 H30 Ag4 Cl2 N6 O27 Tb2'
_chemical_formula_weight         1822.90

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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   8.3112(4)
_cell_length_b                   9.9605(4)
_cell_length_c                   16.4964(7)
_cell_angle_alpha                90.699(2)
_cell_angle_beta                 103.392(2)
_cell_angle_gamma                110.548(2)
_cell_volume                     1237.41(9)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4010
_cell_measurement_theta_min      1.36
_cell_measurement_theta_max      28.00

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.446
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             868
_exptl_absorpt_coefficient_mu    4.578
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3640
_exptl_absorpt_correction_T_max  0.6374
_exptl_absorpt_process_details   'Apex2 v2.1-4 (Bruker, 2007)'

_exptl_special_details           
;
Carbon-bound H atoms were placed at calculated
positions and were treated as riding on the parent C atoms. The
water H atoms were located in a difference Fourier map, and were
refined with distance restraints of O--H 0.83+-0.01 Å and
H...H 1.35+-0.01 Å, and finally were refined with a riding
model.
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II area-detector diffractometer'
_diffrn_measurement_method       'φ and ω scan'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10485
_diffrn_reflns_av_R_equivalents  0.0319
_diffrn_reflns_av_sigmaI/netI    0.0403
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.20
_diffrn_reflns_theta_max         25.20
_reflns_number_total             4284
_reflns_number_gt                4054
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Apex2 v2.1-4 (Bruker, 2007)'
_computing_cell_refinement       'Apex2 v2.1-4'
_computing_data_reduction        'Apex2 v2.1-4'
_computing_structure_solution    'SHELXTL 6.14 (Bruker, 2000-2003)'
_computing_structure_refinement  'SHELXTL 6.14'
_computing_molecular_graphics    'SHELXTL 6.14'
_computing_publication_material  'SHELXTL 6.14'

_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)+(0.0400P)²+19.3016P] 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         4284
_refine_ls_number_parameters     369
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0652
_refine_ls_R_factor_gt           0.0631
_refine_ls_wR_factor_ref         0.1889
_refine_ls_wR_factor_gt          0.1880
_refine_ls_goodness_of_fit_ref   1.163
_refine_ls_restrained_S_all      1.162
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.002

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 0.60621(5) 0.29148(4) 0.48415(2) 0.02184(9) Uani 1 1 d . . .
Ag1 Ag 1.1147(2) -0.0200(2) 0.46423(11) 0.0624(5) Uani 0.50 1 d P . .
Ag2 Ag 0.5000 0.0000 0.0000 0.0531(3) Uani 1 2 d S . .
Ag3 Ag 0.83460(12) 0.33881(10) 0.00156(4) 0.0524(3) Uani 1 1 d . . .
C1 C 0.6242(10) 0.5416(8) 0.6372(5) 0.024(2) Uani 1 1 d . . .
C2 C 0.6780(11) 0.4965(9) 0.7236(5) 0.029(2) Uani 1 1 d . . .
C3 C 0.8002(10) 0.4286(9) 0.7398(5) 0.029(2) Uani 1 1 d . . .
H3 H 0.8509 0.4109 0.6981 0.035 Uiso 1 1 calc R . .
C4 C 0.8449(11) 0.3878(10) 0.8187(6) 0.036(2) Uani 1 1 d . . .
H4 H 0.9290 0.3443 0.8296 0.043 Uiso 1 1 calc R . .
C5 C 0.6550(13) 0.4730(12) 0.8638(6) 0.046(3) Uani 1 1 d . . .
H5 H 0.6047 0.4884 0.9062 0.055 Uiso 1 1 calc R . .
C6 C 0.6059(12) 0.5176(10) 0.7871(6) 0.041(2) Uani 1 1 d . . .
H6 H 0.5231 0.5624 0.7780 0.049 Uiso 1 1 calc R . .
C7 C 0.3941(9) -0.0399(9) 0.3750(5) 0.024(2) Uani 1 1 d . . .
C8 C 0.4167(10) -0.0306(8) 0.2870(5) 0.026(2) Uani 1 1 d . . .
C9 C 0.5111(11) -0.1008(9) 0.2578(5) 0.034(2) Uani 1 1 d . . .
H9 H 0.5623 -0.1555 0.2926 0.040 Uiso 1 1 calc R . .
C10 C 0.5297(12) -0.0904(10) 0.1774(6) 0.040(2) Uani 1 1 d . . .
H10 H 0.5973 -0.1364 0.1598 0.048 Uiso 1 1 calc R . .
C11 C 0.3598(14) 0.0495(12) 0.1519(6) 0.051(3) Uani 1 1 d . . .
H11 H 0.3036 0.0988 0.1151 0.062 Uiso 1 1 calc R . .
C12 C 0.3426(11) 0.0478(11) 0.2320(5) 0.039(2) Uani 1 1 d . . .
H12 H 0.2808 0.0994 0.2497 0.047 Uiso 1 1 calc R . .
C13 C 0.8521(12) 0.1672(10) 0.3774(6) 0.037(2) Uani 1 1 d . . .
C14 C 0.8599(10) 0.2146(9) 0.2898(5) 0.028(2) Uani 1 1 d . . .
C15 C 0.9429(12) 0.1608(11) 0.2419(6) 0.044(3) Uani 1 1 d . . .
H15 H 1.0036 0.1016 0.2640 0.052 Uiso 1 1 calc R . .
C16 C 0.9351(12) 0.1958(11) 0.1605(5) 0.040(3) Uani 1 1 d . . .
H16 H 0.9906 0.1582 0.1284 0.048 Uiso 1 1 calc R . .
C17 C 0.7693(13) 0.3319(11) 0.1733(6) 0.045(3) Uani 1 1 d . . .
H17 H 0.7094 0.3910 0.1501 0.054 Uiso 1 1 calc R . .
C18 C 0.7705(12) 0.2996(11) 0.2547(5) 0.039(2) Uani 1 1 d . . .
H18 H 0.7109 0.3356 0.2852 0.047 Uiso 1 1 calc R . .
C19 C 0.9689(11) 0.5378(9) 0.4621(5) 0.031(2) Uani 1 1 d . . .
Cl1 Cl 0.7891(3) 0.7482(3) 0.05318(17) 0.0555(7) Uani 1 1 d . . .
N1 N 0.7746(10) 0.4072(9) 0.8798(5) 0.040(2) Uani 1 1 d . . .
N2 N 0.4561(10) -0.0180(9) 0.1236(4) 0.040(2) Uani 1 1 d . . .
N3 N 0.8518(10) 0.2806(9) 0.1266(5) 0.039(2) Uani 1 1 d . . .
O1 O 0.6264(12) 0.7584(12) 0.0085(6) 0.103(3) Uani 1 1 d . . .
O2 O 0.9077(14) 0.7779(17) 0.0009(7) 0.135(5) Uani 1 1 d . . .
O3 O 0.7558(18) 0.6022(11) 0.0661(9) 0.127(5) Uani 1 1 d . . .
O4 O 0.8651(16) 0.8256(16) 0.1323(8) 0.138(5) Uani 1 1 d . . .
O5 O 0.5549(7) 0.6367(6) 0.6327(4) 0.0348(16) Uani 1 1 d . . .
O6 O 0.6525(9) 0.4894(6) 0.5770(4) 0.0448(19) Uani 1 1 d . . .
O7 O 0.3837(8) 0.0677(6) 0.4112(4) 0.0349(16) Uani 1 1 d . . .
O8 O 0.3918(8) -0.1534(6) 0.4053(4) 0.0355(17) Uani 1 1 d . . .
O9 O 0.8032(8) 0.4994(7) 0.4347(4) 0.0400(18) Uani 1 1 d . . .
O10 O 1.0813(7) 0.6347(6) 0.4390(3) 0.0303(16) Uani 1 1 d . . .
O11 O 0.7408(7) 0.1898(7) 0.4075(4) 0.0352(16) Uani 1 1 d . . .
O12 O 0.9597(10) 0.1148(10) 0.4124(5) 0.087(2) Uani 1 1 d . . .
O1W O 0.3222(7) 0.2530(8) 0.5191(4) 0.0431(18) Uani 1 1 d . . .
H1W H 0.3457 0.3421 0.5210 0.065 Uiso 1 1 d R . .
H2W H 0.2251 0.2178 0.4837 0.065 Uiso 1 1 d R . .
O2W O 0.904(3) -0.1952(17) 0.3454(13) 0.116(8) Uani 0.50 1 d PD . .
H3W H 0.9541 -0.1996 0.3088 0.174 Uiso 0.50 1 d PRD . .
H4W H 0.8029 -0.2586 0.3301 0.174 Uiso 0.50 1 d PRD . .


_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 O8 2.298(6) 2_656 ?
Tb1 O11 2.301(7) . ?
Tb1 O6 2.345(6) . ?
Tb1 O5 2.352(6) 2_666 ?
Tb1 O7 2.418(5) . ?
Tb1 O9 2.432(6) . ?
Tb1 O10 2.450(5) 2_766 ?
Tb1 O1W 2.460(6) . ?
Ag1 O12 2.219(10) . ?
Ag1 O12 2.374(9) 2_756 ?
Ag1 O7 2.466(6) 1_655 ?
Ag1 O2W 2.478(18) . ?
Ag1 Ag1 2.598(4) 2_756 ?
Ag2 N2 2.151(7) 2_655 ?
Ag2 N2 2.151(7) . ?
Ag3 N1 2.134(8) 1_554 ?
Ag3 N3 2.136(8) . ?
C1 O6 1.223(11) . ?
C1 O5 1.265(11) . ?
C1 C2 1.514(11) . ?
C2 C6 1.369(14) . ?
C2 C3 1.386(13) . ?
C3 C4 1.376(12) . ?
C3 H3 0.9300 . ?
C4 N1 1.320(13) . ?
C4 H4 0.9300 . ?
C5 N1 1.352(15) . ?
C5 C6 1.366(14) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 O8 1.237(10) . ?
C7 O7 1.260(11) . ?
C7 C8 1.507(11) . ?
C8 C9 1.374(14) . ?
C8 C12 1.381(13) . ?
C9 C10 1.371(13) . ?
C9 H9 0.9300 . ?
C10 N2 1.325(13) . ?
C10 H10 0.9300 . ?
C11 C12 1.361(14) . ?
C11 N2 1.362(15) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 O12 1.226(13) . ?
C13 O11 1.229(12) . ?
C13 C14 1.534(12) . ?
C14 C18 1.363(14) . ?
C14 C15 1.373(14) . ?
C15 C16 1.385(13) . ?
C15 H15 0.9300 . ?
C16 N3 1.322(14) . ?
C16 H16 0.9300 . ?
C17 N3 1.343(15) . ?
C17 C18 1.384(14) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 O10 1.221(10) . ?
C19 O9 1.259(10) . ?
C19 C19 1.549(16) 2_766 ?
Cl1 O4 1.396(12) . ?
Cl1 O3 1.410(11) . ?
Cl1 O2 1.413(12) . ?
Cl1 O1 1.420(10) . ?
N1 Ag3 2.134(8) 1_556 ?
O5 Tb1 2.352(6) 2_666 ?
O7 Ag1 2.466(6) 1_455 ?
O8 Tb1 2.298(6) 2_656 ?
O10 Tb1 2.450(5) 2_766 ?
O12 Ag1 2.374(9) 2_756 ?
O1W H1W 0.8381 . ?
O1W H2W 0.8326 . ?
O2W H3W 0.8200 . ?
O2W H4W 0.8304 . ?

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
O8 Tb1 O11 98.9(2) 2_656 . ?
O8 Tb1 O6 89.2(2) 2_656 . ?
O11 Tb1 O6 144.2(2) . . ?
O8 Tb1 O5 149.3(2) 2_656 2_666 ?
O11 Tb1 O5 94.7(2) . 2_666 ?
O6 Tb1 O5 95.7(2) . 2_666 ?
O8 Tb1 O7 82.0(2) 2_656 . ?
O11 Tb1 O7 72.8(2) . . ?
O6 Tb1 O7 143.1(2) . . ?
O5 Tb1 O7 76.0(2) 2_666 . ?
O8 Tb1 O9 140.0(2) 2_656 . ?
O11 Tb1 O9 77.1(2) . . ?
O6 Tb1 O9 74.5(2) . . ?
O5 Tb1 O9 70.0(2) 2_666 . ?
O7 Tb1 O9 131.9(2) . . ?
O8 Tb1 O10 74.6(2) 2_656 2_766 ?
O11 Tb1 O10 73.0(2) . 2_766 ?
O6 Tb1 O10 75.7(2) . 2_766 ?
O5 Tb1 O10 136.0(2) 2_666 2_766 ?
O7 Tb1 O10 134.4(2) . 2_766 ?
O9 Tb1 O10 66.1(2) . 2_766 ?
O8 Tb1 O1W 75.5(2) 2_656 . ?
O11 Tb1 O1W 142.8(2) . . ?
O6 Tb1 O1W 73.0(2) . . ?
O5 Tb1 O1W 77.0(2) 2_666 . ?
O7 Tb1 O1W 70.0(2) . . ?
O9 Tb1 O1W 130.4(2) . . ?
O10 Tb1 O1W 136.5(2) 2_766 . ?
O12 Ag1 O12 111.2(3) . 2_756 ?
O12 Ag1 O7 105.0(3) . 1_655 ?
O12 Ag1 O7 136.8(3) 2_756 1_655 ?
O12 Ag1 O2W 82.5(5) . . ?
O12 Ag1 O2W 106.3(6) 2_756 . ?
O7 Ag1 O2W 101.0(6) 1_655 . ?
O12 Ag1 Ag1 58.4(2) . 2_756 ?
O12 Ag1 Ag1 52.8(2) 2_756 2_756 ?
O7 Ag1 Ag1 152.43(19) 1_655 2_756 ?
O2W Ag1 Ag1 98.4(6) . 2_756 ?
N2 Ag2 N2 180.0(7) 2_655 . ?
N1 Ag3 N3 168.8(4) 1_554 . ?
O6 C1 O5 123.6(8) . . ?
O6 C1 C2 120.1(8) . . ?
O5 C1 C2 116.3(8) . . ?
C6 C2 C3 117.9(8) . . ?
C6 C2 C1 121.9(8) . . ?
C3 C2 C1 120.2(8) . . ?
C4 C3 C2 118.7(9) . . ?
C4 C3 H3 120.6 . . ?
C2 C3 H3 120.6 . . ?
N1 C4 C3 123.4(9) . . ?
N1 C4 H4 118.3 . . ?
C3 C4 H4 118.3 . . ?
N1 C5 C6 121.9(10) . . ?
N1 C5 H5 119.1 . . ?
C6 C5 H5 119.1 . . ?
C5 C6 C2 120.3(10) . . ?
C5 C6 H6 119.9 . . ?
C2 C6 H6 119.9 . . ?
O8 C7 O7 126.3(8) . . ?
O8 C7 C8 115.7(8) . . ?
O7 C7 C8 117.9(7) . . ?
C9 C8 C12 117.2(8) . . ?
C9 C8 C7 121.2(8) . . ?
C12 C8 C7 121.6(8) . . ?
C10 C9 C8 120.0(9) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
N2 C10 C9 123.3(10) . . ?
N2 C10 H10 118.3 . . ?
C9 C10 H10 118.3 . . ?
C12 C11 N2 122.6(10) . . ?
C12 C11 H11 118.7 . . ?
N2 C11 H11 118.7 . . ?
C11 C12 C8 120.1(10) . . ?
C11 C12 H12 120.0 . . ?
C8 C12 H12 120.0 . . ?
O12 C13 O11 125.5(9) . . ?
O12 C13 C14 118.0(9) . . ?
O11 C13 C14 116.5(9) . . ?
C18 C14 C15 118.4(8) . . ?
C18 C14 C13 120.8(9) . . ?
C15 C14 C13 120.5(9) . . ?
C14 C15 C16 119.3(10) . . ?
C14 C15 H15 120.4 . . ?
C16 C15 H15 120.4 . . ?
N3 C16 C15 122.6(10) . . ?
N3 C16 H16 118.7 . . ?
C15 C16 H16 118.7 . . ?
N3 C17 C18 122.2(10) . . ?
N3 C17 H17 118.9 . . ?
C18 C17 H17 118.9 . . ?
C14 C18 C17 119.5(10) . . ?
C14 C18 H18 120.3 . . ?
C17 C18 H18 120.3 . . ?
O10 C19 O9 126.4(8) . . ?
O10 C19 C19 118.1(9) . 2_766 ?
O9 C19 C19 115.2(9) . 2_766 ?
O4 Cl1 O3 106.1(9) . . ?
O4 Cl1 O2 113.1(7) . . ?
O3 Cl1 O2 103.7(10) . . ?
O4 Cl1 O1 116.1(8) . . ?
O3 Cl1 O1 107.6(7) . . ?
O2 Cl1 O1 109.2(7) . . ?
C4 N1 C5 117.8(8) . . ?
C4 N1 Ag3 124.3(7) . 1_556 ?
C5 N1 Ag3 117.9(7) . 1_556 ?
C10 N2 C11 116.7(8) . . ?
C10 N2 Ag2 121.0(7) . . ?
C11 N2 Ag2 122.2(7) . . ?
C16 N3 C17 118.0(8) . . ?
C16 N3 Ag3 124.5(7) . . ?
C17 N3 Ag3 117.5(7) . . ?
C1 O5 Tb1 130.3(5) . 2_666 ?
C1 O6 Tb1 151.1(6) . . ?
C7 O7 Tb1 132.5(5) . . ?
C7 O7 Ag1 107.1(5) . 1_455 ?
Tb1 O7 Ag1 114.6(3) . 1_455 ?
C7 O8 Tb1 151.7(6) . 2_656 ?
C19 O9 Tb1 120.2(5) . . ?
C19 O10 Tb1 119.6(5) . 2_766 ?
C13 O11 Tb1 162.6(5) . . ?
C13 O12 Ag1 169.0(7) . . ?
C13 O12 Ag1 109.7(7) . 2_756 ?
Ag1 O12 Ag1 68.8(3) . 2_756 ?
Tb1 O1W H1W 89.0 . . ?
Tb1 O1W H2W 122.2 . . ?
H1W O1W H2W 104.3 . . ?
Ag1 O2W H3W 109.7 . . ?
Ag1 O2W H4W 143.7 . . ?
H3W O2W H4W 106.1 . . ?

_diffrn_measured_fraction_theta_max 0.965
_diffrn_reflns_theta_full        25.20
_diffrn_measured_fraction_theta_full 0.965
_refine_diff_density_max         1.108
_refine_diff_density_min         -1.670
_refine_diff_density_rms         0.273

# start Validation Reply Form
_vrf_PLAT215_2c                  
;
PROBLEM:
RESPONSE: The oxygen atoms in question belong to disordered water molecules.
;
_vrf_PLAT222_2c                  
;
PROBLEM:
RESPONSE: The hydrogen atoms in question belong to disordered water molecules.
;

data_4a
_database_code_depnum_ccdc_archive 'CCDC 713249'

#====================================================================

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C14 H10 Ag Ce N2 O9'
_chemical_formula_weight         598.23

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'
O O 0.0106 0.0060 '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'
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   'C 2/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                   21.728(2)
_cell_length_b                   9.3675(10)
_cell_length_c                   17.4117(18)
_cell_angle_alpha                90.00
_cell_angle_beta                 109.202(2)
_cell_angle_gamma                90.00
_cell_volume                     3346.8(6)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3455
_cell_measurement_theta_min      1.36
_cell_measurement_theta_max      28.00

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.375
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2280
_exptl_absorpt_coefficient_mu    3.910
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4166
_exptl_absorpt_correction_T_max  0.5335
_exptl_absorpt_process_details   'Apex2 v2.1-4 (Bruker, 2007)'

_exptl_special_details           
;

Carbon-bound H atoms were placed at calculated
positions and were treated as riding on the parent C atoms. The
water H atoms were located in a difference Fourier map, and were
refined with distance restraints of O--H 0.83+-0.01 Å and
H...H 1.35+-0.01 Å, and finally were refined with a riding
model.
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker AXS SMART APEX CCD diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18289
_diffrn_reflns_av_R_equivalents  0.0837
_diffrn_reflns_av_sigmaI/netI    0.0694
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.39
_diffrn_reflns_theta_max         27.50
_reflns_number_total             3822
_reflns_number_gt                2687
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Apex2 v2.1-4 (Bruker, 2007)'
_computing_cell_refinement       'Apex2 v2.1-4'
_computing_data_reduction        'Apex2 v2.1-4'
_computing_structure_solution    'SHELXTL 6.14 (Bruker, 2000-2003)'
_computing_structure_refinement  'SHELXTL 6.14'
_computing_molecular_graphics    'SHELXTL 6.14'
_computing_publication_material  'SHELXTL 6.14'

_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)+(0.0372P)²+6.1422P] 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         3822
_refine_ls_number_parameters     244
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0685
_refine_ls_R_factor_gt           0.0448
_refine_ls_wR_factor_ref         0.1048
_refine_ls_wR_factor_gt          0.0943
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.061
_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
Ag1 Ag 0.17381(3) 0.43261(8) 0.14190(4) 0.0671(2) Uani 1 1 d . . .
C1 C 0.1138(5) 0.4156(8) 0.2780(6) 0.064(3) Uani 1 1 d . . .
H1 H 0.1167 0.5144 0.2746 0.077 Uiso 1 1 calc R . .
C2 C 0.0824(4) 0.3599(7) 0.3278(5) 0.051(2) Uani 1 1 d . . .
H2 H 0.0661 0.4204 0.3588 0.061 Uiso 1 1 calc R . .
C3 C 0.0750(3) 0.2128(7) 0.3321(4) 0.0308(14) Uani 1 1 d . . .
C4 C 0.1024(4) 0.1319(8) 0.2867(4) 0.0456(19) Uani 1 1 d . . .
H4 H 0.0990 0.0330 0.2872 0.055 Uiso 1 1 calc R . .
C5 C 0.1351(4) 0.1960(8) 0.2401(4) 0.048(2) Uani 1 1 d . . .
H5 H 0.1545 0.1383 0.2112 0.058 Uiso 1 1 calc R . .
C6 C 0.0396(3) 0.1481(7) 0.3841(4) 0.0331(15) Uani 1 1 d . . .
C7 C 0.2226(4) 0.5498(9) 0.0047(5) 0.068(3) Uani 1 1 d . . .
H7 H 0.1850 0.6049 -0.0079 0.082 Uiso 1 1 calc R . .
C8 C 0.2648(4) 0.5738(10) -0.0383(5) 0.067(3) Uani 1 1 d . . .
H8 H 0.2563 0.6456 -0.0773 0.081 Uiso 1 1 calc R . .
C9 C 0.3198(3) 0.4901(7) -0.0227(4) 0.0312(14) Uani 1 1 d . . .
C10 C 0.3259(4) 0.3808(8) 0.0316(5) 0.049(2) Uani 1 1 d . . .
H10 H 0.3593 0.3145 0.0395 0.059 Uiso 1 1 calc R . .
C11 C 0.2834(4) 0.3680(9) 0.0746(5) 0.052(2) Uani 1 1 d . . .
H11 H 0.2908 0.2967 0.1137 0.063 Uiso 1 1 calc R . .
C12 C 0.3724(3) 0.5224(7) -0.0577(4) 0.0318(15) Uani 1 1 d . . .
C13 C -0.0358(3) 0.4834(7) 0.4747(4) 0.0326(15) Uani 1 1 d . . .
C14 C 0.0373(3) 0.2495(6) 0.7699(4) 0.0299(14) Uani 1 1 d . . .
N1 N 0.1399(3) 0.3363(6) 0.2348(4) 0.0450(15) Uani 1 1 d . . .
N2 N 0.2326(3) 0.4527(7) 0.0627(4) 0.0502(16) Uani 1 1 d . . .
O1 O 0.0367(2) 0.2195(5) 0.4437(2) 0.0393(12) Uani 1 1 d . . .
O2 O 0.0174(2) 0.0255(4) 0.3653(3) 0.0380(11) Uani 1 1 d . . .
O3 O 0.3643(2) 0.6229(5) -0.1074(3) 0.0407(12) Uani 1 1 d . . .
O4 O 0.4250(2) 0.4519(4) -0.0332(2) 0.0322(10) Uani 1 1 d . . .
O5 O -0.0636(2) 0.5729(4) 0.4203(2) 0.0317(10) Uani 1 1 d . . .
O6 O -0.0608(2) 0.3742(4) 0.4922(3) 0.0346(10) Uani 1 1 d . . .
O7 O 0.0709(2) 0.2322(5) 0.7241(2) 0.0342(10) Uani 1 1 d . . .
O8 O 0.0583(2) 0.2681(5) 0.8458(2) 0.0360(11) Uani 1 1 d . . .
O1W O 0.2047(3) 0.3056(6) 0.7435(4) 0.0732(18) Uani 1 1 d D . .
H2W H 0.1687 0.2912 0.7520 0.110 Uiso 1 1 d RD . .
H1W H 0.2083 0.2469 0.7080 0.110 Uiso 1 1 d RD . .
Ce1 Ce 0.013624(17) 0.18477(3) 0.573541(19) 0.02576(12) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.173(6) . ?
Ag1 N1 2.181(6) . ?
C1 N1 1.311(9) . ?
C1 C2 1.371(10) . ?
C1 H1 0.9300 . ?
C2 C3 1.392(9) . ?
C2 H2 0.9300 . ?
C3 C4 1.365(9) . ?
C3 C6 1.495(9) . ?
C4 C5 1.378(9) . ?
C4 H4 0.9300 . ?
C5 N1 1.324(8) . ?
C5 H5 0.9300 . ?
C6 O2 1.247(7) . ?
C6 O1 1.254(7) . ?
C7 N2 1.323(9) . ?
C7 C8 1.379(11) . ?
C7 H7 0.9300 . ?
C8 C9 1.380(10) . ?
C8 H8 0.9300 . ?
C9 C10 1.370(9) . ?
C9 C12 1.492(9) . ?
C10 C11 1.372(10) . ?
C10 H10 0.9300 . ?
C11 N2 1.320(10) . ?
C11 H11 0.9300 . ?
C12 O3 1.252(7) . ?
C12 O4 1.266(7) . ?
C12 Ce1 2.995(7) 4 ?
C13 O6 1.242(7) . ?
C13 O5 1.260(7) . ?
C13 C13 1.547(13) 5_566 ?
C14 O7 1.257(7) . ?
C14 O8 1.260(7) . ?
C14 C14 1.537(13) 2_556 ?
O1 Ce1 2.493(4) . ?
O2 Ce1 2.437(4) 5_556 ?
O3 Ce1 2.587(5) 4 ?
O4 Ce1 2.539(4) 8 ?
O4 Ce1 2.765(4) 4 ?
O5 Ce1 2.503(4) 5_566 ?
O6 Ce1 2.503(4) . ?
O7 Ce1 2.544(4) . ?
O8 Ce1 2.544(4) 2_556 ?
O1W H2W 0.8509 . ?
O1W H1W 0.8513 . ?
Ce1 O2 2.437(4) 5_556 ?
Ce1 O5 2.503(4) 5_566 ?
Ce1 O4 2.539(4) 8_456 ?
Ce1 O8 2.544(4) 2_556 ?
Ce1 O3 2.587(5) 4_545 ?
Ce1 O4 2.765(4) 4_545 ?
Ce1 C12 2.995(7) 4_545 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N1 156.7(2) . . ?
N1 C1 C2 123.1(7) . . ?
N1 C1 H1 118.5 . . ?
C2 C1 H1 118.5 . . ?
C1 C2 C3 120.1(7) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 H2 120.0 . . ?
C4 C3 C2 116.0(6) . . ?
C4 C3 C6 122.3(6) . . ?
C2 C3 C6 121.7(6) . . ?
C3 C4 C5 120.4(7) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
N1 C5 C4 122.8(7) . . ?
N1 C5 H5 118.6 . . ?
C4 C5 H5 118.6 . . ?
O2 C6 O1 126.0(6) . . ?
O2 C6 C3 116.5(6) . . ?
O1 C6 C3 117.5(6) . . ?
N2 C7 C8 123.8(7) . . ?
N2 C7 H7 118.1 . . ?
C8 C7 H7 118.1 . . ?
C7 C8 C9 119.1(7) . . ?
C7 C8 H8 120.4 . . ?
C9 C8 H8 120.4 . . ?
C10 C9 C8 116.2(6) . . ?
C10 C9 C12 121.4(6) . . ?
C8 C9 C12 122.2(6) . . ?
C9 C10 C11 120.8(7) . . ?
C9 C10 H10 119.6 . . ?
C11 C10 H10 119.6 . . ?
N2 C11 C10 122.8(7) . . ?
N2 C11 H11 118.6 . . ?
C10 C11 H11 118.6 . . ?
O3 C12 O4 122.1(6) . . ?
O3 C12 C9 118.9(6) . . ?
O4 C12 C9 119.0(6) . . ?
O3 C12 Ce1 59.2(3) . 4 ?
O4 C12 Ce1 67.3(3) . 4 ?
C9 C12 Ce1 155.3(4) . 4 ?
O6 C13 O5 126.3(6) . . ?
O6 C13 C13 117.7(7) . 5_566 ?
O5 C13 C13 115.9(7) . 5_566 ?
O7 C14 O8 126.7(6) . . ?
O7 C14 C14 117.3(7) . 2_556 ?
O8 C14 C14 116.0(7) . 2_556 ?
C1 N1 C5 117.6(6) . . ?
C1 N1 Ag1 120.4(5) . . ?
C5 N1 Ag1 121.1(5) . . ?
C11 N2 C7 116.8(7) . . ?
C11 N2 Ag1 119.0(5) . . ?
C7 N2 Ag1 124.2(5) . . ?
C6 O1 Ce1 139.6(4) . . ?
C6 O2 Ce1 140.2(4) . 5_556 ?
C12 O3 Ce1 96.3(4) . 4 ?
C12 O4 Ce1 153.1(4) . 8 ?
C12 O4 Ce1 87.7(4) . 4 ?
Ce1 O4 Ce1 105.72(15) 8 4 ?
C13 O5 Ce1 118.5(4) . 5_566 ?
C13 O6 Ce1 118.0(4) . . ?
C14 O7 Ce1 119.2(4) . . ?
C14 O8 Ce1 117.4(4) . 2_556 ?
H2W O1W H1W 109.5 . . ?
O2 Ce1 O1 131.96(15) 5_556 . ?
O2 Ce1 O6 126.89(15) 5_556 . ?
O1 Ce1 O6 71.32(15) . . ?
O2 Ce1 O5 153.18(13) 5_556 5_566 ?
O1 Ce1 O5 72.97(14) . 5_566 ?
O6 Ce1 O5 64.64(14) . 5_566 ?
O2 Ce1 O4 70.15(14) 5_556 8_456 ?
O1 Ce1 O4 74.46(14) . 8_456 ?
O6 Ce1 O4 75.51(14) . 8_456 ?
O5 Ce1 O4 134.61(13) 5_566 8_456 ?
O2 Ce1 O8 72.44(15) 5_556 2_556 ?
O1 Ce1 O8 143.57(15) . 2_556 ?
O6 Ce1 O8 72.26(14) . 2_556 ?
O5 Ce1 O8 91.96(14) 5_566 2_556 ?
O4 Ce1 O8 95.95(14) 8_456 2_556 ?
O2 Ce1 O7 78.63(14) 5_556 . ?
O1 Ce1 O7 137.35(15) . . ?
O6 Ce1 O7 117.74(14) . . ?
O5 Ce1 O7 74.87(13) 5_566 . ?
O4 Ce1 O7 147.00(14) 8_456 . ?
O8 Ce1 O7 63.78(14) 2_556 . ?
O2 Ce1 O3 97.43(16) 5_556 4_545 ?
O1 Ce1 O3 74.85(15) . 4_545 ?
O6 Ce1 O3 135.34(15) . 4_545 ?
O5 Ce1 O3 78.23(15) 5_566 4_545 ?
O4 Ce1 O3 121.85(14) 8_456 4_545 ?
O8 Ce1 O3 135.47(14) 2_556 4_545 ?
O7 Ce1 O3 71.75(14) . 4_545 ?
O2 Ce1 O4 72.47(15) 5_556 4_545 ?
O1 Ce1 O4 67.35(13) . 4_545 ?
O6 Ce1 O4 133.75(13) . 4_545 ?
O5 Ce1 O4 119.22(14) 5_566 4_545 ?
O4 Ce1 O4 74.28(15) 8_456 4_545 ?
O8 Ce1 O4 144.83(13) 2_556 4_545 ?
O7 Ce1 O4 106.63(13) . 4_545 ?
O3 Ce1 O4 48.48(13) 4_545 4_545 ?
O2 Ce1 C12 89.19(17) 5_556 4_545 ?
O1 Ce1 C12 64.10(16) . 4_545 ?
O6 Ce1 C12 135.04(15) . 4_545 ?
O5 Ce1 C12 96.01(16) 5_566 4_545 ?
O4 Ce1 C12 97.30(16) 8_456 4_545 ?
O8 Ce1 C12 152.07(15) 2_556 4_545 ?
O7 Ce1 C12 92.57(15) . 4_545 ?
O3 Ce1 C12 24.55(15) 4_545 4_545 ?
O4 Ce1 C12 24.99(15) 4_545 4_545 ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         1.369
_refine_diff_density_min         -1.187
_refine_diff_density_rms         0.179

data_4b
_database_code_depnum_ccdc_archive 'CCDC 713250'

#====================================================================

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C14 H10 Ag N2 O9 Sm'
_chemical_formula_weight         608.46

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   'C 2/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                   22.0591(2)
_cell_length_b                   9.2269(1)
_cell_length_c                   17.1097(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 108.214(1)
_cell_angle_gamma                90.00
_cell_volume                     3307.97(8)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3212
_cell_measurement_theta_min      1.36
_cell_measurement_theta_max      28.00

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.443
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2312
_exptl_absorpt_coefficient_mu    4.754
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3928
_exptl_absorpt_correction_T_max  0.5158
_exptl_absorpt_process_details   'Apex2 v2.1-4 (Bruker, 2007)'

_exptl_special_details           
;

Carbon-bound H atoms were placed at calculated
positions and were treated as riding on the parent C atoms.
The water H atoms were located in a difference Fourier map,
and were refined with distance restraints of O--H 0.83+-0.01
Å and H...H 1.35+-0.01 Å, and finally were refined
with a riding model.
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker AXS SMART APEX CCD diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            20348
_diffrn_reflns_av_R_equivalents  0.0416
_diffrn_reflns_av_sigmaI/netI    0.0305
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.41
_diffrn_reflns_theta_max         26.50
_reflns_number_total             3422
_reflns_number_gt                2805
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Apex2 v2.1-4 (Bruker, 2007)'
_computing_cell_refinement       'Apex2 v2.1-4'
_computing_data_reduction        'Apex2 v2.1-4'
_computing_structure_solution    'SHELXTL 6.14 (Bruker, 2000-2003)'
_computing_structure_refinement  'SHELXTL 6.14'
_computing_molecular_graphics    'SHELXTL 6.14'
_computing_publication_material  'SHELXTL 6.14'

_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)+(0.0244P)²+9.6869P] 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         3422
_refine_ls_number_parameters     244
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0380
_refine_ls_R_factor_gt           0.0258
_refine_ls_wR_factor_ref         0.0575
_refine_ls_wR_factor_gt          0.0528
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_restrained_S_all      1.032
_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
Ag1 Ag 0.17085(2) 0.43646(6) 0.13613(3) 0.06743(16) Uani 1 1 d . . .
C1 C 0.1124(3) 0.4184(6) 0.2775(4) 0.0613(17) Uani 1 1 d . . .
H1 H 0.1157 0.5186 0.2750 0.074 Uiso 1 1 calc R . .
C2 C 0.0800(3) 0.3614(5) 0.3266(3) 0.0487(14) Uani 1 1 d . . .
H2 H 0.0623 0.4224 0.3569 0.058 Uiso 1 1 calc R . .
C3 C 0.0737(2) 0.2148(4) 0.3311(2) 0.0268(9) Uani 1 1 d . . .
C4 C 0.1020(2) 0.1292(5) 0.2862(3) 0.0406(12) Uani 1 1 d . . .
H4 H 0.0992 0.0287 0.2877 0.049 Uiso 1 1 calc R . .
C5 C 0.1349(2) 0.1956(6) 0.2389(3) 0.0430(12) Uani 1 1 d . . .
H5 H 0.1546 0.1371 0.2098 0.052 Uiso 1 1 calc R . .
C6 C 0.0374(2) 0.1469(4) 0.3835(2) 0.0255(9) Uani 1 1 d . . .
C7 C 0.2248(3) 0.5506(8) -0.0010(4) 0.084(2) Uani 1 1 d . . .
H7 H 0.1882 0.6076 -0.0158 0.101 Uiso 1 1 calc R . .
C8 C 0.2691(3) 0.5706(8) -0.0424(4) 0.080(2) Uani 1 1 d . . .
H8 H 0.2619 0.6397 -0.0838 0.096 Uiso 1 1 calc R . .
C9 C 0.3231(2) 0.4888(5) -0.0221(3) 0.0307(10) Uani 1 1 d . . .
C10 C 0.3287(2) 0.3820(6) 0.0350(3) 0.0522(15) Uani 1 1 d . . .
H10 H 0.3630 0.3181 0.0474 0.063 Uiso 1 1 calc R . .
C11 C 0.2826(2) 0.3702(6) 0.0739(3) 0.0530(15) Uani 1 1 d . . .
H11 H 0.2875 0.2984 0.1135 0.064 Uiso 1 1 calc R . .
C12 C 0.3776(2) 0.5202(5) -0.0552(2) 0.0288(9) Uani 1 1 d . . .
C13 C -0.0352(2) 0.4854(4) 0.4754(2) 0.0254(9) Uani 1 1 d . . .
C14 C 0.03640(19) 0.2480(4) 0.7699(2) 0.0243(9) Uani 1 1 d . . .
N1 N 0.13952(19) 0.3378(4) 0.2330(2) 0.0419(10) Uani 1 1 d . . .
N2 N 0.23213(19) 0.4550(5) 0.0581(2) 0.0477(11) Uani 1 1 d . . .
O1 O 0.03475(14) 0.2193(3) 0.44409(17) 0.0333(7) Uani 1 1 d . . .
O2 O 0.01473(14) 0.0231(3) 0.36309(17) 0.0332(7) Uani 1 1 d . . .
O3 O 0.37177(14) 0.6229(4) -0.10472(18) 0.0379(7) Uani 1 1 d . . .
O4 O 0.42836(13) 0.4480(3) -0.02880(17) 0.0297(6) Uani 1 1 d . . .
O5 O -0.06221(14) 0.5753(3) 0.42066(17) 0.0306(6) Uani 1 1 d . . .
O6 O -0.06014(14) 0.3733(3) 0.49322(17) 0.0316(7) Uani 1 1 d . . .
O7 O 0.06889(13) 0.2315(3) 0.72175(16) 0.0294(7) Uani 1 1 d . . .
O8 O 0.05697(14) 0.2666(3) 0.84585(16) 0.0316(7) Uani 1 1 d . . .
O1W O 0.20287(19) 0.3026(5) 0.7402(3) 0.0727(12) Uani 1 1 d . . .
H2W H 0.1843 0.2299 0.7528 0.109 Uiso 1 1 d R . .
H1W H 0.2159 0.2814 0.6998 0.109 Uiso 1 1 d R . .
Sm1 Sm 0.012515(10) 0.18612(2) 0.573260(12) 0.02243(7) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.184(3) . ?
Ag1 N1 2.184(3) . ?
C1 N1 1.332(6) . ?
C1 C2 1.367(6) . ?
C1 H1 0.9300 . ?
C2 C3 1.364(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.380(6) . ?
C3 C6 1.513(5) . ?
C4 C5 1.387(6) . ?
C4 H4 0.9300 . ?
C5 N1 1.323(6) . ?
C5 H5 0.9300 . ?
C6 O1 1.249(5) . ?
C6 O2 1.252(5) . ?
C7 N2 1.313(6) . ?
C7 C8 1.386(6) . ?
C7 H7 0.9300 . ?
C8 C9 1.360(7) . ?
C8 H8 0.9300 . ?
C9 C10 1.366(6) . ?
C9 C12 1.508(5) . ?
C10 C11 1.382(6) . ?
C10 H10 0.9300 . ?
C11 N2 1.318(6) . ?
C11 H11 0.9300 . ?
C12 O3 1.251(5) . ?
C12 O4 1.260(5) . ?
C12 Sm1 2.965(4) 4 ?
C13 O6 1.254(5) . ?
C13 O5 1.253(5) . ?
C13 C13 1.541(8) 5_566 ?
C14 O8 1.247(5) . ?
C14 O7 1.259(4) . ?
C14 C14 1.536(8) 2_556 ?
O1 Sm1 2.428(2) . ?
O2 Sm1 2.384(3) 5_556 ?
O3 Sm1 2.507(3) 4 ?
O4 Sm1 2.450(3) 8 ?
O4 Sm1 2.780(3) 4 ?
O5 Sm1 2.447(3) 5_566 ?
O6 Sm1 2.460(3) . ?
O7 Sm1 2.490(3) . ?
O8 Sm1 2.478(3) 2_556 ?
O1W H2W 0.8492 . ?
O1W H1W 0.8498 . ?
Sm1 O2 2.384(3) 5_556 ?
Sm1 O5 2.447(3) 5_566 ?
Sm1 O4 2.450(3) 8_456 ?
Sm1 O8 2.478(3) 2_556 ?
Sm1 O3 2.507(3) 4_545 ?
Sm1 O4 2.780(3) 4_545 ?
Sm1 C12 2.965(4) 4_545 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N1 154.15(15) . . ?
N1 C1 C2 123.4(5) . . ?
N1 C1 H1 118.3 . . ?
C2 C1 H1 118.3 . . ?
C3 C2 C1 119.9(4) . . ?
C3 C2 H2 120.1 . . ?
C1 C2 H2 120.1 . . ?
C2 C3 C4 117.7(4) . . ?
C2 C3 C6 121.7(4) . . ?
C4 C3 C6 120.6(4) . . ?
C3 C4 C5 118.8(4) . . ?
C3 C4 H4 120.6 . . ?
C5 C4 H4 120.6 . . ?
N1 C5 C4 123.4(4) . . ?
N1 C5 H5 118.3 . . ?
C4 C5 H5 118.3 . . ?
O1 C6 O2 127.0(3) . . ?
O1 C6 C3 116.2(4) . . ?
O2 C6 C3 116.8(3) . . ?
N2 C7 C8 123.1(5) . . ?
N2 C7 H7 118.5 . . ?
C8 C7 H7 118.5 . . ?
C9 C8 C7 119.8(5) . . ?
C9 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
C8 C9 C10 117.3(4) . . ?
C8 C9 C12 122.4(4) . . ?
C10 C9 C12 120.1(4) . . ?
C9 C10 C11 119.0(5) . . ?
C9 C10 H10 120.5 . . ?
C11 C10 H10 120.5 . . ?
N2 C11 C10 123.7(4) . . ?
N2 C11 H11 118.1 . . ?
C10 C11 H11 118.1 . . ?
O3 C12 O4 122.3(4) . . ?
O3 C12 C9 118.4(4) . . ?
O4 C12 C9 119.2(4) . . ?
O3 C12 Sm1 56.7(2) . 4 ?
O4 C12 Sm1 69.2(2) . 4 ?
C9 C12 Sm1 155.8(3) . 4 ?
O6 C13 O5 125.8(4) . . ?
O6 C13 C13 117.1(4) . 5_566 ?
O5 C13 C13 117.1(4) . 5_566 ?
O8 C14 O7 127.1(4) . . ?
O8 C14 C14 116.9(4) . 2_556 ?
O7 C14 C14 116.1(4) . 2_556 ?
C5 N1 C1 116.8(4) . . ?
C5 N1 Ag1 121.5(3) . . ?
C1 N1 Ag1 120.4(3) . . ?
C7 N2 C11 116.7(4) . . ?
C7 N2 Ag1 124.9(3) . . ?
C11 N2 Ag1 118.2(3) . . ?
C6 O1 Sm1 139.7(3) . . ?
C6 O2 Sm1 138.3(2) . 5_556 ?
C12 O3 Sm1 98.6(3) . 4 ?
C12 O4 Sm1 156.0(2) . 8 ?
C12 O4 Sm1 85.7(2) . 4 ?
Sm1 O4 Sm1 106.17(10) 8 4 ?
C13 O5 Sm1 117.5(2) . 5_566 ?
C13 O6 Sm1 117.1(3) . . ?
C14 O7 Sm1 118.9(3) . . ?
C14 O8 Sm1 117.0(2) . 2_556 ?
H2W O1W H1W 109.8 . . ?
O2 Sm1 O1 132.01(9) 5_556 . ?
O2 Sm1 O5 151.97(10) 5_556 5_566 ?
O1 Sm1 O5 73.15(9) . 5_566 ?
O2 Sm1 O4 70.94(10) 5_556 8_456 ?
O1 Sm1 O4 74.84(9) . 8_456 ?
O5 Sm1 O4 135.60(9) 5_566 8_456 ?
O2 Sm1 O6 127.53(10) 5_556 . ?
O1 Sm1 O6 71.75(9) . . ?
O5 Sm1 O6 66.26(9) 5_566 . ?
O4 Sm1 O6 75.00(10) 8_456 . ?
O2 Sm1 O8 72.51(10) 5_556 2_556 ?
O1 Sm1 O8 143.76(10) . 2_556 ?
O5 Sm1 O8 93.07(9) 5_566 2_556 ?
O4 Sm1 O8 94.95(9) 8_456 2_556 ?
O6 Sm1 O8 72.03(9) . 2_556 ?
O2 Sm1 O7 77.70(9) 5_556 . ?
O1 Sm1 O7 136.79(9) . . ?
O5 Sm1 O7 74.40(9) 5_566 . ?
O4 Sm1 O7 146.91(9) 8_456 . ?
O6 Sm1 O7 118.71(9) . . ?
O8 Sm1 O7 65.08(9) 2_556 . ?
O2 Sm1 O3 95.65(11) 5_556 4_545 ?
O1 Sm1 O3 75.11(10) . 4_545 ?
O5 Sm1 O3 77.75(10) 5_566 4_545 ?
O4 Sm1 O3 121.95(9) 8_456 4_545 ?
O6 Sm1 O3 136.48(10) . 4_545 ?
O8 Sm1 O3 135.70(9) 2_556 4_545 ?
O7 Sm1 O3 70.73(9) . 4_545 ?
O2 Sm1 O4 72.05(9) 5_556 4_545 ?
O1 Sm1 O4 66.73(9) . 4_545 ?
O5 Sm1 O4 118.72(9) 5_566 4_545 ?
O4 Sm1 O4 73.83(10) 8_456 4_545 ?
O6 Sm1 O4 133.01(9) . 4_545 ?
O8 Sm1 O4 144.56(9) 2_556 4_545 ?
O7 Sm1 O4 106.55(9) . 4_545 ?
O3 Sm1 O4 48.82(9) 4_545 4_545 ?
O2 Sm1 C12 87.74(11) 5_556 4_545 ?
O1 Sm1 C12 64.26(11) . 4_545 ?
O5 Sm1 C12 95.68(11) 5_566 4_545 ?
O4 Sm1 C12 97.30(11) 8_456 4_545 ?
O6 Sm1 C12 135.74(10) . 4_545 ?
O8 Sm1 C12 151.86(10) 2_556 4_545 ?
O7 Sm1 C12 91.68(10) . 4_545 ?
O3 Sm1 C12 24.66(11) 4_545 4_545 ?
O4 Sm1 C12 25.07(10) 4_545 4_545 ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.50
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.234
_refine_diff_density_min         -1.308
_refine_diff_density_rms         0.113

data_5a
_database_code_depnum_ccdc_archive 'CCDC 713251'

#====================================================================

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C15 H12 Ag La N2 O9'
_chemical_formula_sum            'C15 H12 Ag La N2 O9'
_chemical_formula_weight         611.05

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'
La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'

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                   7.6815(1)
_cell_length_b                   18.9433(4)
_cell_length_c                   12.1566(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 106.929(1)
_cell_angle_gamma                90.00
_cell_volume                     1692.29(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    2355
_cell_measurement_theta_min      1.36
_cell_measurement_theta_max      28.00

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.398
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1168
_exptl_absorpt_coefficient_mu    3.704
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4462
_exptl_absorpt_correction_T_max  0.5765
_exptl_absorpt_process_details   'Apex2 v2.1-4 (Bruker, 2007)'

_exptl_special_details           
;

Carbon-bound H atoms were placed at calculated
positions and were treated as riding on the parent C atoms.
The water H atoms were located in a difference Fourier map,
and were refined with distance restraints of O--H 0.83+-0.01
Å and H...H 1.35+-0.01 Å, and finally were refined with
a riding model.
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker AXS SMART APEX CCD diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11554
_diffrn_reflns_av_R_equivalents  0.0381
_diffrn_reflns_av_sigmaI/netI    0.0336
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.05
_diffrn_reflns_theta_max         25.20
_reflns_number_total             2800
_reflns_number_gt                2444
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Apex2 v2.1-4 (Bruker, 2007)'
_computing_cell_refinement       'Apex2 v2.1-4'
_computing_data_reduction        'Apex2 v2.1-4'
_computing_structure_solution    'SHELXTL 6.14 (Bruker, 2000-2003)'
_computing_structure_refinement  'SHELXTL 6.14'
_computing_molecular_graphics    'SHELXTL 6.14'
_computing_publication_material  'SHELXTL 6.14'

_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)+(0.0231P)²+8.3068P] 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         2800
_refine_ls_number_parameters     259
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0392
_refine_ls_R_factor_gt           0.0324
_refine_ls_wR_factor_ref         0.0740
_refine_ls_wR_factor_gt          0.0711
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_restrained_S_all      1.119
_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
Ag1 Ag -0.28765(8) 0.01157(3) 0.52045(5) 0.03528(16) Uani 1 1 d . . .
C1 C -0.0757(11) 0.1451(3) 0.6393(6) 0.0389(18) Uani 1 1 d . . .
H1 H -0.0622 0.1184 0.7054 0.047 Uiso 1 1 calc R . .
C2 C 0.0093(10) 0.2092(3) 0.6497(6) 0.0340(17) Uani 1 1 d . . .
H2 H 0.0785 0.2250 0.7215 0.041 Uiso 1 1 calc R . .
C3 C -0.0076(8) 0.2501(3) 0.5538(6) 0.0233(14) Uani 1 1 d . . .
C4 C -0.1169(9) 0.2246(3) 0.4493(6) 0.0286(15) Uani 1 1 d . . .
H4 H -0.1340 0.2511 0.3825 0.034 Uiso 1 1 calc R . .
C5 C -0.2007(10) 0.1590(3) 0.4457(6) 0.0307(16) Uani 1 1 d . . .
H5 H -0.2757 0.1428 0.3757 0.037 Uiso 1 1 calc R . .
C6 C 0.0873(9) 0.3208(3) 0.5599(6) 0.0241(15) Uani 1 1 d . . .
C7 C -0.3300(10) -0.1467(3) 0.5629(6) 0.0311(16) Uani 1 1 d . . .
H7 H -0.2700 -0.1331 0.6380 0.037 Uiso 1 1 calc R . .
C8 C -0.3854(9) -0.2163(3) 0.5409(6) 0.0293(16) Uani 1 1 d . . .
H8 H -0.3595 -0.2491 0.6004 0.035 Uiso 1 1 calc R . .
C9 C -0.4787(9) -0.2369(3) 0.4308(5) 0.0227(14) Uani 1 1 d . . .
C10 C -0.5091(10) -0.1866(3) 0.3437(6) 0.0313(16) Uani 1 1 d . . .
H10 H -0.5707 -0.1985 0.2682 0.038 Uiso 1 1 calc R . .
C11 C -0.4464(10) -0.1191(3) 0.3713(6) 0.0331(17) Uani 1 1 d . . .
H11 H -0.4645 -0.0864 0.3119 0.040 Uiso 1 1 calc R . .
C12 C -0.5590(10) -0.3104(3) 0.4037(6) 0.0259(15) Uani 1 1 d . . .
C13 C 0.6761(9) 0.4805(3) 0.7064(5) 0.0206(14) Uani 1 1 d . . .
C14 C 0.8748(9) 0.4734(4) 0.7667(6) 0.0384(19) Uani 1 1 d . . .
H14A H 0.8930 0.4265 0.8003 0.046 Uiso 1 1 calc R . .
H14B H 0.9031 0.5066 0.8301 0.046 Uiso 1 1 calc R . .
C15 C 1.0154(9) 0.4833(3) 0.7046(6) 0.0210(14) Uani 1 1 d . . .
N1 N -0.1777(8) 0.1186(3) 0.5386(5) 0.0303(13) Uani 1 1 d . . .
N2 N -0.3614(8) -0.0976(3) 0.4774(4) 0.0292(13) Uani 1 1 d . . .
La1 La 0.28427(5) 0.457194(16) 0.56846(3) 0.01581(11) Uani 1 1 d . . .
O1 O 0.1934(7) 0.3398(2) 0.6533(4) 0.0317(11) Uani 1 1 d . . .
O2 O 0.0522(6) 0.3576(2) 0.4692(4) 0.0283(10) Uani 1 1 d . . .
O3 O -0.4761(6) -0.3598(2) 0.4721(4) 0.0271(10) Uani 1 1 d . . .
O4 O -0.6956(8) -0.3173(2) 0.3229(5) 0.0460(14) Uani 1 1 d . . .
O5 O 0.5652(6) 0.4591(2) 0.7553(4) 0.0248(10) Uani 1 1 d . . .
O6 O 0.6219(6) 0.5090(2) 0.6069(4) 0.0233(10) Uani 1 1 d . . .
O7 O 0.9668(6) 0.4871(2) 0.5966(3) 0.0244(10) Uani 1 1 d . . .
O8 O 1.1792(6) 0.4832(2) 0.7609(4) 0.0254(10) Uani 1 1 d . . .
O1W O 0.3029(6) 0.5908(2) 0.6011(4) 0.0241(10) Uani 1 1 d D . .
H1W H 0.368(6) 0.607(3) 0.565(5) 0.036 Uiso 1 1 d D . .
H2W H 0.203(4) 0.608(3) 0.570(5) 0.036 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
Ag1 N2 2.167(5) . ?
Ag1 N1 2.182(5) . ?
Ag1 O8 2.600(4) 2_646 ?
Ag1 Ag1 3.1839(11) 3_456 ?
C1 N1 1.344(9) . ?
C1 C2 1.366(9) . ?
C1 H1 0.9300 . ?
C2 C3 1.374(9) . ?
C2 H2 0.9300 . ?
C3 C4 1.388(9) . ?
C3 C6 1.517(8) . ?
C4 C5 1.396(9) . ?
C4 H4 0.9300 . ?
C5 N1 1.332(8) . ?
C5 H5 0.9300 . ?
C6 O1 1.242(8) . ?
C6 O2 1.266(8) . ?
C6 La1 2.980(6) . ?
C7 N2 1.364(8) . ?
C7 C8 1.389(9) . ?
C7 H7 0.9300 . ?
C8 C9 1.378(9) . ?
C8 H8 0.9300 . ?
C9 C10 1.393(9) . ?
C9 C12 1.521(8) . ?
C10 C11 1.372(9) . ?
C10 H10 0.9300 . ?
C11 N2 1.329(8) . ?
C11 H11 0.9300 . ?
C12 O4 1.217(8) . ?
C12 O3 1.290(8) . ?
C13 O5 1.240(7) . ?
C13 O6 1.279(7) . ?
C13 C14 1.494(10) . ?
C13 La1 3.021(6) . ?
C14 C15 1.499(8) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 O8 1.245(8) . ?
C15 O7 1.258(7) . ?
C15 La1 3.040(6) 1_655 ?
La1 O3 2.498(4) 3_556 ?
La1 O6 2.523(4) 3_666 ?
La1 O1W 2.559(4) . ?
La1 O7 2.571(4) 3_666 ?
La1 O7 2.621(4) 1_455 ?
La1 O1 2.630(4) . ?
La1 O2 2.634(4) . ?
La1 O5 2.639(4) . ?
La1 O6 2.684(4) . ?
La1 O8 2.733(4) 1_455 ?
O3 La1 2.498(4) 3_556 ?
O6 La1 2.523(4) 3_666 ?
O7 La1 2.571(4) 3_666 ?
O7 La1 2.621(4) 1_655 ?
O8 Ag1 2.600(4) 2_656 ?
O8 La1 2.733(4) 1_655 ?
O1W H1W 0.818(10) . ?
O1W H2W 0.819(10) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N1 167.6(2) . . ?
N2 Ag1 O8 91.92(17) . 2_646 ?
N1 Ag1 O8 95.12(18) . 2_646 ?
N2 Ag1 Ag1 69.33(15) . 3_456 ?
N1 Ag1 Ag1 119.51(15) . 3_456 ?
O8 Ag1 Ag1 98.05(10) 2_646 3_456 ?
N1 C1 C2 123.6(6) . . ?
N1 C1 H1 118.2 . . ?
C2 C1 H1 118.2 . . ?
C1 C2 C3 119.8(7) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 H2 120.1 . . ?
C2 C3 C4 117.6(6) . . ?
C2 C3 C6 122.1(6) . . ?
C4 C3 C6 120.4(6) . . ?
C3 C4 C5 119.2(6) . . ?
C3 C4 H4 120.4 . . ?
C5 C4 H4 120.4 . . ?
N1 C5 C4 122.6(6) . . ?
N1 C5 H5 118.7 . . ?
C4 C5 H5 118.7 . . ?
O1 C6 O2 123.6(6) . . ?
O1 C6 C3 118.6(6) . . ?
O2 C6 C3 117.8(6) . . ?
O1 C6 La1 61.7(3) . . ?
O2 C6 La1 62.0(3) . . ?
C3 C6 La1 177.8(4) . . ?
N2 C7 C8 121.6(6) . . ?
N2 C7 H7 119.2 . . ?
C8 C7 H7 119.2 . . ?
C9 C8 C7 120.0(6) . . ?
C9 C8 H8 120.0 . . ?
C7 C8 H8 120.0 . . ?
C8 C9 C10 118.0(6) . . ?
C8 C9 C12 122.2(6) . . ?
C10 C9 C12 119.7(6) . . ?
C11 C10 C9 118.8(6) . . ?
C11 C10 H10 120.6 . . ?
C9 C10 H10 120.6 . . ?
N2 C11 C10 124.2(6) . . ?
N2 C11 H11 117.9 . . ?
C10 C11 H11 117.9 . . ?
O4 C12 O3 126.2(6) . . ?
O4 C12 C9 118.2(6) . . ?
O3 C12 C9 115.6(6) . . ?
O5 C13 O6 120.8(6) . . ?
O5 C13 C14 118.8(6) . . ?
O6 C13 C14 120.4(5) . . ?
O5 C13 La1 60.4(3) . . ?
O6 C13 La1 62.6(3) . . ?
C14 C13 La1 165.7(5) . . ?
C13 C14 C15 121.7(6) . . ?
C13 C14 H14A 106.9 . . ?
C15 C14 H14A 106.9 . . ?
C13 C14 H14B 106.9 . . ?
C15 C14 H14B 106.9 . . ?
H14A C14 H14B 106.7 . . ?
O8 C15 O7 121.3(6) . . ?
O8 C15 C14 119.0(6) . . ?
O7 C15 C14 119.6(6) . . ?
O8 C15 La1 64.0(3) . 1_655 ?
O7 C15 La1 58.9(3) . 1_655 ?
C14 C15 La1 163.1(5) . 1_655 ?
C5 N1 C1 117.1(5) . . ?
C5 N1 Ag1 119.7(4) . . ?
C1 N1 Ag1 123.0(4) . . ?
C11 N2 C7 117.3(5) . . ?
C11 N2 Ag1 123.2(4) . . ?
C7 N2 Ag1 119.4(4) . . ?
O3 La1 O6 71.98(13) 3_556 3_666 ?
O3 La1 O1W 138.71(14) 3_556 . ?
O6 La1 O1W 82.13(13) 3_666 . ?
O3 La1 O7 120.05(14) 3_556 3_666 ?
O6 La1 O7 64.55(13) 3_666 3_666 ?
O1W La1 O7 73.15(14) . 3_666 ?
O3 La1 O7 144.08(14) 3_556 1_455 ?
O6 La1 O7 124.13(13) 3_666 1_455 ?
O1W La1 O7 77.20(13) . 1_455 ?
O7 La1 O7 59.88(15) 3_666 1_455 ?
O3 La1 O1 72.05(13) 3_556 . ?
O6 La1 O1 136.00(13) 3_666 . ?
O1W La1 O1 141.72(13) . . ?
O7 La1 O1 115.40(15) 3_666 . ?
O7 La1 O1 76.59(14) 1_455 . ?
O3 La1 O2 74.93(14) 3_556 . ?
O6 La1 O2 96.68(13) 3_666 . ?
O1W La1 O2 141.16(14) . . ?
O7 La1 O2 71.50(14) 3_666 . ?
O7 La1 O2 71.53(13) 1_455 . ?
O1 La1 O2 49.64(14) . . ?
O3 La1 O5 78.39(14) 3_556 . ?
O6 La1 O5 111.14(13) 3_666 . ?
O1W La1 O5 81.85(14) . . ?
O7 La1 O5 154.95(13) 3_666 . ?
O7 La1 O5 116.30(12) 1_455 . ?
O1 La1 O5 85.31(14) . . ?
O2 La1 O5 132.76(13) . . ?
O3 La1 O6 73.07(13) 3_556 . ?
O6 La1 O6 63.57(16) 3_666 . ?
O1W La1 O6 66.66(13) . . ?
O7 La1 O6 116.93(13) 3_666 . ?
O7 La1 O6 141.91(13) 1_455 . ?
O1 La1 O6 126.48(14) . . ?
O2 La1 O6 146.34(13) . . ?
O5 La1 O6 48.60(12) . . ?
O3 La1 O8 129.83(13) 3_556 1_455 ?
O6 La1 O8 154.91(13) 3_666 1_455 ?
O1W La1 O8 72.91(13) . 1_455 ?
O7 La1 O8 104.64(13) 3_666 1_455 ?
O7 La1 O8 48.02(13) 1_455 1_455 ?
O1 La1 O8 68.82(13) . 1_455 ?
O2 La1 O8 101.08(13) . 1_455 ?
O5 La1 O8 68.40(13) . 1_455 ?
O6 La1 O8 107.25(13) . 1_455 ?
O3 La1 C6 71.07(15) 3_556 . ?
O6 La1 C6 117.22(15) 3_666 . ?
O1W La1 C6 150.17(15) . . ?
O7 La1 C6 94.07(17) 3_666 . ?
O7 La1 C6 73.11(15) 1_455 . ?
O1 La1 C6 24.57(15) . . ?
O2 La1 C6 25.09(16) . . ?
O5 La1 C6 108.76(16) . . ?
O6 La1 C6 141.09(15) . . ?
O8 La1 C6 84.99(15) 1_455 . ?
O3 La1 C13 70.63(15) 3_556 . ?
O6 La1 C13 87.04(15) 3_666 . ?
O1W La1 C13 76.56(15) . . ?
O7 La1 C13 140.62(15) 3_666 . ?
O7 La1 C13 135.25(14) 1_455 . ?
O1 La1 C13 103.97(15) . . ?
O2 La1 C13 142.28(14) . . ?
O5 La1 C13 24.12(13) . . ?
O6 La1 C13 25.02(14) . . ?
O8 La1 C13 89.61(14) 1_455 . ?
C6 La1 C13 124.04(17) . . ?
C6 O1 La1 93.7(4) . . ?
C6 O2 La1 92.9(4) . . ?
C12 O3 La1 128.1(4) . 3_556 ?
C13 O5 La1 95.5(4) . . ?
C13 O6 La1 144.3(4) . 3_666 ?
C13 O6 La1 92.4(4) . . ?
La1 O6 La1 116.43(16) 3_666 . ?
C15 O7 La1 139.9(4) . 3_666 ?
C15 O7 La1 96.9(4) . 1_655 ?
La1 O7 La1 120.12(15) 3_666 1_655 ?
C15 O8 Ag1 122.2(4) . 2_656 ?
C15 O8 La1 91.9(3) . 1_655 ?
Ag1 O8 La1 145.68(18) 2_656 1_655 ?
La1 O1W H1W 107(5) . . ?
La1 O1W H2W 109(5) . . ?
H1W O1W H2W 104.2(17) . . ?

_diffrn_measured_fraction_theta_max 0.919
_diffrn_reflns_theta_full        25.20
_diffrn_measured_fraction_theta_full 0.919
_refine_diff_density_max         1.083
_refine_diff_density_min         -0.850
_refine_diff_density_rms         0.131

data_5b
_database_code_depnum_ccdc_archive 'CCDC 713252'

#====================================================================

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C15 H12 Ag N2 Nd O9'
_chemical_formula_sum            'C15 H12 Ag N2 Nd O9'
_chemical_formula_weight         616.38

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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   'P 21/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                   7.5983(1)
_cell_length_b                   18.8221(2)
_cell_length_c                   12.1000(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 106.648(1)
_cell_angle_gamma                90.00
_cell_volume                     1657.96(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    2600
_cell_measurement_theta_min      1.36
_cell_measurement_theta_max      28.00

_exptl_crystal_description       block
_exptl_crystal_colour            purple
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.469
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1180
_exptl_absorpt_coefficient_mu    4.336
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3543
_exptl_absorpt_correction_T_max  0.4375
_exptl_absorpt_process_details   'Apex2 v2.1-4 (Bruker, 2007)'

_exptl_special_details           
;

Carbon-bound H atoms were placed at calculated
positions and were treated as riding on the parent C atoms. The
water H atoms were located in a difference Fourier map, and were
refined with distance restraints of O--H 0.83+-0.01 Å and
H...H 1.35+-0.01 Å, and finally were refined with a riding model.
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker AXS SMART APEX CCD diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            12851
_diffrn_reflns_av_R_equivalents  0.0266
_diffrn_reflns_av_sigmaI/netI    0.0253
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.06
_diffrn_reflns_theta_max         25.20
_reflns_number_total             2972
_reflns_number_gt                2673
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Apex2 v2.1-4 (Bruker, 2007)'
_computing_cell_refinement       'Apex2 v2.1-4'
_computing_data_reduction        'Apex2 v2.1-4'
_computing_structure_solution    'SHELXTL 6.14 (Bruker, 2000-2003)'
_computing_structure_refinement  'SHELXTL 6.14'
_computing_molecular_graphics    'SHELXTL 6.14'
_computing_publication_material  'SHELXTL 6.14'

_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)+(0.0225P)²+1.5716P] 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         2972
_refine_ls_number_parameters     259
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0261
_refine_ls_R_factor_gt           0.0217
_refine_ls_wR_factor_ref         0.0483
_refine_ls_wR_factor_gt          0.0465
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.058
_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
Ag1 Ag -0.28618(4) 0.011764(15) 0.52206(3) 0.03051(9) Uani 1 1 d . . .
C1 C -0.0742(5) 0.1463(2) 0.6405(3) 0.0308(9) Uani 1 1 d . . .
H1 H -0.0611 0.1198 0.7072 0.037 Uiso 1 1 calc R . .
C2 C 0.0119(5) 0.21172(19) 0.6494(3) 0.0272(9) Uani 1 1 d . . .
H2 H 0.0818 0.2283 0.7209 0.033 Uiso 1 1 calc R . .
C3 C -0.0065(4) 0.25217(18) 0.5518(3) 0.0199(8) Uani 1 1 d . . .
C4 C -0.1164(5) 0.22583(18) 0.4477(3) 0.0235(8) Uani 1 1 d . . .
H4 H -0.1347 0.2522 0.3803 0.028 Uiso 1 1 calc R . .
C5 C -0.1985(5) 0.16002(19) 0.4452(3) 0.0251(9) Uani 1 1 d . . .
H5 H -0.2725 0.1432 0.3749 0.030 Uiso 1 1 calc R . .
C6 C 0.0885(4) 0.32321(18) 0.5572(3) 0.0200(8) Uani 1 1 d . . .
C7 C -0.3301(5) -0.14707(19) 0.5626(3) 0.0266(9) Uani 1 1 d . . .
H7 H -0.2705 -0.1335 0.6379 0.032 Uiso 1 1 calc R . .
C8 C -0.3851(5) -0.21726(19) 0.5413(3) 0.0242(9) Uani 1 1 d . . .
H8 H -0.3594 -0.2501 0.6012 0.029 Uiso 1 1 calc R . .
C9 C -0.4785(4) -0.23800(18) 0.4305(3) 0.0188(8) Uani 1 1 d . . .
C10 C -0.5063(5) -0.18737(19) 0.3442(3) 0.0258(9) Uani 1 1 d . . .
H10 H -0.5664 -0.1996 0.2682 0.031 Uiso 1 1 calc R . .
C11 C -0.4451(5) -0.1192(2) 0.3709(3) 0.0271(9) Uani 1 1 d . . .
H11 H -0.4638 -0.0861 0.3116 0.033 Uiso 1 1 calc R . .
C12 C -0.5582(5) -0.31235(18) 0.4042(3) 0.0204(8) Uani 1 1 d . . .
C13 C 0.6719(5) 0.48103(18) 0.7033(3) 0.0177(8) Uani 1 1 d . . .
C14 C 0.8740(5) 0.4749(2) 0.7672(3) 0.0328(10) Uani 1 1 d . . .
H14A H 0.9007 0.5100 0.8285 0.039 Uiso 1 1 calc R . .
H14B H 0.8931 0.4286 0.8038 0.039 Uiso 1 1 calc R . .
C15 C 1.0151(4) 0.48356(17) 0.7031(3) 0.0177(8) Uani 1 1 d . . .
H1W H 0.363(4) 0.6059(18) 0.562(3) 0.027 Uiso 1 1 d D . .
H2W H 0.203(2) 0.6076(17) 0.579(3) 0.027 Uiso 1 1 d D . .
N1 N -0.1767(4) 0.11943(16) 0.5385(3) 0.0250(7) Uani 1 1 d . . .
N2 N -0.3593(4) -0.09824(15) 0.4792(3) 0.0246(7) Uani 1 1 d . . .
Nd1 Nd 0.28344(2) 0.458028(9) 0.566988(16) 0.01384(7) Uani 1 1 d . . .
O1 O 0.1953(3) 0.34303(13) 0.6515(2) 0.0251(6) Uani 1 1 d . . .
O2 O 0.0561(3) 0.35976(12) 0.4663(2) 0.0235(6) Uani 1 1 d . . .
O3 O -0.4755(3) -0.36206(12) 0.4717(2) 0.0219(6) Uani 1 1 d . . .
O4 O -0.6984(4) -0.31867(14) 0.3236(2) 0.0366(7) Uani 1 1 d . . .
O5 O 0.5575(3) 0.45789(12) 0.7508(2) 0.0212(6) Uani 1 1 d . . .
O6 O 0.6205(3) 0.50966(13) 0.6040(2) 0.0203(5) Uani 1 1 d . . .
O7 O 0.9674(3) 0.48572(13) 0.5944(2) 0.0211(6) Uani 1 1 d . . .
O8 O 1.1809(3) 0.48469(13) 0.7593(2) 0.0225(6) Uani 1 1 d . . .
O1W O 0.3030(3) 0.58867(13) 0.6012(2) 0.0213(6) Uani 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
Ag1 N2 2.168(3) . ?
Ag1 N1 2.178(3) . ?
Ag1 O8 2.585(2) 2_646 ?
Ag1 Ag1 3.1694(6) 3_456 ?
C1 N1 1.355(5) . ?
C1 C2 1.383(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.378(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.388(5) . ?
C3 C6 1.512(5) . ?
C4 C5 1.383(5) . ?
C4 H4 0.9300 . ?
C5 N1 1.334(5) . ?
C5 H5 0.9300 . ?
C6 O1 1.252(4) . ?
C6 O2 1.261(4) . ?
C7 N2 1.336(5) . ?
C7 C8 1.387(5) . ?
C7 H7 0.9300 . ?
C8 C9 1.381(5) . ?
C8 H8 0.9300 . ?
C9 C10 1.385(5) . ?
C9 C12 1.522(5) . ?
C10 C11 1.372(5) . ?
C10 H10 0.9300 . ?
C11 N2 1.344(5) . ?
C11 H11 0.9300 . ?
C12 O4 1.226(4) . ?
C12 O3 1.282(4) . ?
C13 O5 1.250(4) . ?
C13 O6 1.272(4) . ?
C13 C14 1.513(5) . ?
C14 C15 1.501(5) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 O8 1.248(4) . ?
C15 O7 1.262(4) . ?
C15 Nd1 3.004(4) 1_655 ?
Nd1 O3 2.450(2) 3_556 ?
Nd1 O6 2.459(2) 3_666 ?
Nd1 O1W 2.491(2) . ?
Nd1 O7 2.537(2) 3_666 ?
Nd1 O1 2.564(2) . ?
Nd1 O7 2.570(2) 1_455 ?
Nd1 O5 2.574(2) . ?
Nd1 O2 2.585(2) . ?
Nd1 O6 2.655(2) . ?
Nd1 O8 2.705(3) 1_455 ?
Nd1 C15 3.004(4) 1_455 ?
O3 Nd1 2.450(2) 3_556 ?
O6 Nd1 2.459(2) 3_666 ?
O7 Nd1 2.537(2) 3_666 ?
O7 Nd1 2.570(2) 1_655 ?
O8 Ag1 2.585(2) 2_656 ?
O8 Nd1 2.705(3) 1_655 ?
O1W H1W 0.813(10) . ?
O1W H2W 0.814(10) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N1 167.31(12) . . ?
N2 Ag1 O8 92.27(10) . 2_646 ?
N1 Ag1 O8 95.27(10) . 2_646 ?
N2 Ag1 Ag1 69.27(8) . 3_456 ?
N1 Ag1 Ag1 119.45(8) . 3_456 ?
O8 Ag1 Ag1 98.43(5) 2_646 3_456 ?
N1 C1 C2 122.6(4) . . ?
N1 C1 H1 118.7 . . ?
C2 C1 H1 118.7 . . ?
C3 C2 C1 119.7(3) . . ?
C3 C2 H2 120.2 . . ?
C1 C2 H2 120.2 . . ?
C2 C3 C4 117.9(3) . . ?
C2 C3 C6 121.4(3) . . ?
C4 C3 C6 120.7(3) . . ?
C5 C4 C3 119.3(3) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
N1 C5 C4 123.2(3) . . ?
N1 C5 H5 118.4 . . ?
C4 C5 H5 118.4 . . ?
O1 C6 O2 123.1(3) . . ?
O1 C6 C3 118.7(3) . . ?
O2 C6 C3 118.2(3) . . ?
N2 C7 C8 122.6(3) . . ?
N2 C7 H7 118.7 . . ?
C8 C7 H7 118.7 . . ?
C9 C8 C7 119.5(3) . . ?
C9 C8 H8 120.2 . . ?
C7 C8 H8 120.2 . . ?
C8 C9 C10 117.6(3) . . ?
C8 C9 C12 121.7(3) . . ?
C10 C9 C12 120.6(3) . . ?
C11 C10 C9 119.8(3) . . ?
C11 C10 H10 120.1 . . ?
C9 C10 H10 120.1 . . ?
N2 C11 C10 122.8(3) . . ?
N2 C11 H11 118.6 . . ?
C10 C11 H11 118.6 . . ?
O4 C12 O3 126.2(3) . . ?
O4 C12 C9 117.3(3) . . ?
O3 C12 C9 116.4(3) . . ?
O5 C13 O6 121.1(3) . . ?
O5 C13 C14 118.5(3) . . ?
O6 C13 C14 120.4(3) . . ?
C15 C14 C13 119.9(3) . . ?
C15 C14 H14A 107.3 . . ?
C13 C14 H14A 107.3 . . ?
C15 C14 H14B 107.3 . . ?
C13 C14 H14B 107.3 . . ?
H14A C14 H14B 106.9 . . ?
O8 C15 O7 120.7(3) . . ?
O8 C15 C14 118.6(3) . . ?
O7 C15 C14 120.5(3) . . ?
O8 C15 Nd1 64.15(19) . 1_655 ?
O7 C15 Nd1 58.02(17) . 1_655 ?
C14 C15 Nd1 164.4(3) . 1_655 ?
C5 N1 C1 117.2(3) . . ?
C5 N1 Ag1 120.3(2) . . ?
C1 N1 Ag1 122.4(3) . . ?
C7 N2 C11 117.6(3) . . ?
C7 N2 Ag1 120.0(2) . . ?
C11 N2 Ag1 122.2(2) . . ?
O3 Nd1 O6 71.64(8) 3_556 3_666 ?
O3 Nd1 O1W 138.52(8) 3_556 . ?
O6 Nd1 O1W 82.98(8) 3_666 . ?
O3 Nd1 O7 121.19(8) 3_556 3_666 ?
O6 Nd1 O7 65.65(8) 3_666 3_666 ?
O1W Nd1 O7 73.25(8) . 3_666 ?
O3 Nd1 O1 72.05(8) 3_556 . ?
O6 Nd1 O1 135.96(8) 3_666 . ?
O1W Nd1 O1 141.00(8) . . ?
O7 Nd1 O1 115.77(8) 3_666 . ?
O3 Nd1 O7 143.50(8) 3_556 1_455 ?
O6 Nd1 O7 124.88(7) 3_666 1_455 ?
O1W Nd1 O7 77.98(8) . 1_455 ?
O7 Nd1 O7 59.39(10) 3_666 1_455 ?
O1 Nd1 O7 76.06(8) . 1_455 ?
O3 Nd1 O5 77.64(8) 3_556 . ?
O6 Nd1 O5 111.44(8) 3_666 . ?
O1W Nd1 O5 82.10(7) . . ?
O7 Nd1 O5 155.34(7) 3_666 . ?
O1 Nd1 O5 83.90(7) . . ?
O7 Nd1 O5 116.30(8) 1_455 . ?
O3 Nd1 O2 74.72(8) 3_556 . ?
O6 Nd1 O2 95.71(8) 3_666 . ?
O1W Nd1 O2 141.67(7) . . ?
O7 Nd1 O2 71.48(8) 3_666 . ?
O1 Nd1 O2 50.83(8) . . ?
O7 Nd1 O2 71.53(8) 1_455 . ?
O5 Nd1 O2 132.25(7) . . ?
O3 Nd1 O6 72.75(7) 3_556 . ?
O6 Nd1 O6 63.06(9) 3_666 . ?
O1W Nd1 O6 66.55(7) . . ?
O7 Nd1 O6 116.93(7) 3_666 . ?
O1 Nd1 O6 126.27(7) . . ?
O7 Nd1 O6 142.75(8) 1_455 . ?
O5 Nd1 O6 49.63(8) . . ?
O2 Nd1 O6 145.43(8) . . ?
O3 Nd1 O8 129.46(8) 3_556 1_455 ?
O6 Nd1 O8 154.98(8) 3_666 1_455 ?
O1W Nd1 O8 72.06(8) . 1_455 ?
O7 Nd1 O8 104.29(7) 3_666 1_455 ?
O1 Nd1 O8 68.95(8) . 1_455 ?
O7 Nd1 O8 48.78(7) 1_455 1_455 ?
O5 Nd1 O8 67.54(7) . 1_455 ?
O2 Nd1 O8 102.71(8) . 1_455 ?
O6 Nd1 O8 106.79(7) . 1_455 ?
O3 Nd1 C15 139.26(8) 3_556 1_455 ?
O6 Nd1 C15 146.44(8) 3_666 1_455 ?
O1W Nd1 C15 76.61(8) . 1_455 ?
O7 Nd1 C15 82.94(9) 3_666 1_455 ?
O1 Nd1 C15 67.69(9) . 1_455 ?
O7 Nd1 C15 24.61(8) 1_455 1_455 ?
O5 Nd1 C15 91.97(8) . 1_455 ?
O2 Nd1 C15 84.62(9) . 1_455 ?
O6 Nd1 C15 128.50(8) . 1_455 ?
O8 Nd1 C15 24.54(8) 1_455 1_455 ?
C6 O1 Nd1 93.6(2) . . ?
C6 O2 Nd1 92.4(2) . . ?
C12 O3 Nd1 128.8(2) . 3_556 ?
C13 O5 Nd1 95.7(2) . . ?
C13 O6 Nd1 144.6(2) . 3_666 ?
C13 O6 Nd1 91.4(2) . . ?
Nd1 O6 Nd1 116.94(9) 3_666 . ?
C15 O7 Nd1 138.1(2) . 3_666 ?
C15 O7 Nd1 97.37(19) . 1_655 ?
Nd1 O7 Nd1 120.61(10) 3_666 1_655 ?
C15 O8 Ag1 121.9(2) . 2_656 ?
C15 O8 Nd1 91.3(2) . 1_655 ?
Ag1 O8 Nd1 146.72(9) 2_656 1_655 ?
Nd1 O1W H1W 108(3) . . ?
Nd1 O1W H2W 112(3) . . ?
H1W O1W H2W 105.2(16) . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        25.20
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         0.799
_refine_diff_density_min         -0.722
_refine_diff_density_rms         0.104

data_6a
_database_code_depnum_ccdc_archive 'CCDC 713253'

#====================================================================

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H56 Ag4 Cl2 La3 N8 O37.50'
_chemical_formula_weight         2336.18

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   14.3670(6)
_cell_length_b                   15.0764(6)
_cell_length_c                   17.3874(6)
_cell_angle_alpha                85.911(2)
_cell_angle_beta                 83.182(3)
_cell_angle_gamma                84.224(3)
_cell_volume                     3713.8(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    12356
_cell_measurement_theta_min      1.36
_cell_measurement_theta_max      28.00

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.089
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2258
_exptl_absorpt_coefficient_mu    2.888
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6194
_exptl_absorpt_correction_T_max  0.6852
_exptl_absorpt_process_details   'Apex2 v2.1-4 (Bruker, 2007)'

_exptl_special_details           
;
One perchlorate and two crystallographically independent racemic
lactate anions are disordered over two positions; the disorders
refined to 0.634(18):0.366(18), 0.556(14):0.556(14),
0.591(11):0.401(11), respectively.
Carbon-bound H atoms were placed at calculated
positions and were treated as riding on the parent C atoms.
The hydroxy and water H atoms were located in a difference
Fourier map, and were refined with distance restraints of
O--H 0.83+-0.01 Å and H...H 1.35+-0.01 Å; their
temperature factors were freely refined.

;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker AXS SMART APEX CCD diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            49637
_diffrn_reflns_av_R_equivalents  0.0754
_diffrn_reflns_av_sigmaI/netI    0.0903
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.18
_diffrn_reflns_theta_max         26.50
_reflns_number_total             15208
_reflns_number_gt                9518
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Apex2 v2.1-4 (Bruker, 2007)'
_computing_cell_refinement       'Apex2 v2.1-4'
_computing_data_reduction        'Apex2 v2.1-4'
_computing_structure_solution    'SHELXTL 6.14 (Bruker, 2000-2003)'
_computing_structure_refinement  'SHELXTL 6.14'
_computing_molecular_graphics    'SHELXTL 6.14'
_computing_publication_material  'SHELXTL 6.14'

_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)+(0.0478P)²] 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         15208
_refine_ls_number_parameters     1035
_refine_ls_number_restraints     187
_refine_ls_R_factor_all          0.0907
_refine_ls_R_factor_gt           0.0494
_refine_ls_wR_factor_ref         0.1159
_refine_ls_wR_factor_gt          0.1024
_refine_ls_goodness_of_fit_ref   0.974
_refine_ls_restrained_S_all      0.992
_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
Ag1 Ag 0.84329(6) 1.11079(6) 0.42983(4) 0.0673(2) Uani 1 1 d . . .
Ag2 Ag 0.87057(7) 0.51534(5) 0.49566(3) 0.0689(3) Uani 1 1 d . . .
Ag3 Ag 0.41527(7) 0.89549(6) 0.53347(4) 0.0732(3) Uani 1 1 d . . .
Ag4 Ag 0.64209(6) 0.61845(6) 0.45828(3) 0.0763(3) Uani 1 1 d . . .
C1 C 0.8914(7) 0.9882(6) 0.5737(4) 0.051(2) Uani 1 1 d . . .
H1 H 0.9078 0.9447 0.5379 0.061 Uiso 1 1 calc R . .
C2 C 0.9001(6) 0.9668(5) 0.6503(4) 0.043(2) Uani 1 1 d . . .
H2 H 0.9226 0.9092 0.6659 0.051 Uiso 1 1 calc R . .
C3 C 0.8759(6) 1.0296(5) 0.7048(4) 0.0363(19) Uani 1 1 d . . .
C4 C 0.8426(7) 1.1134(6) 0.6794(5) 0.050(2) Uani 1 1 d . . .
H4 H 0.8242 1.1571 0.7147 0.060 Uiso 1 1 calc R . .
C5 C 0.8361(7) 1.1331(6) 0.6010(5) 0.059(3) Uani 1 1 d . . .
H5 H 0.8149 1.1907 0.5841 0.071 Uiso 1 1 calc R . .
C6 C 0.8801(6) 1.0069(5) 0.7912(4) 0.0344(18) Uani 1 1 d . A .
C7 C 0.7720(7) 0.2510(6) 1.3125(4) 0.050(2) Uani 1 1 d . . .
H7 H 0.7567 0.2818 1.3574 0.060 Uiso 1 1 calc R . .
C8 C 0.7474(6) 0.2925(5) 1.2433(4) 0.042(2) Uani 1 1 d . . .
H8 H 0.7165 0.3497 1.2421 0.051 Uiso 1 1 calc R . .
C9 C 0.7691(5) 0.2480(5) 1.1761(4) 0.0311(18) Uani 1 1 d . . .
C10 C 0.8169(7) 0.1653(5) 1.1824(4) 0.053(3) Uani 1 1 d . . .
H10 H 0.8346 0.1340 1.1379 0.064 Uiso 1 1 calc R . .
C11 C 0.8395(8) 0.1270(6) 1.2530(4) 0.060(3) Uani 1 1 d . . .
H11 H 0.8717 0.0704 1.2549 0.072 Uiso 1 1 calc R . .
C12 C 0.7426(5) 0.2872(5) 1.0995(4) 0.0272(16) Uani 1 1 d . . .
C13 C 0.6207(5) 0.6329(5) 1.0896(4) 0.0277(16) Uani 1 1 d . . .
C14 C 0.6179(5) 0.6296(5) 1.1771(4) 0.0322(18) Uani 1 1 d . . .
C15 C 0.6122(7) 0.5516(6) 1.2213(4) 0.052(2) Uani 1 1 d . . .
H15 H 0.6042 0.4996 1.1981 0.062 Uiso 1 1 calc R . .
C16 C 0.6181(7) 0.5489(7) 1.2996(4) 0.061(3) Uani 1 1 d . . .
H16 H 0.6152 0.4947 1.3285 0.074 Uiso 1 1 calc R . .
C17 C 0.6326(8) 0.6985(7) 1.2931(5) 0.072(3) Uani 1 1 d . . .
H17 H 0.6392 0.7499 1.3178 0.087 Uiso 1 1 calc R . .
C18 C 0.6281(8) 0.7048(6) 1.2142(4) 0.062(3) Uani 1 1 d . . .
H18 H 0.6319 0.7595 1.1862 0.074 Uiso 1 1 calc R . .
C19 C 0.6884(5) 0.6251(5) 0.8216(4) 0.0272(16) Uani 1 1 d . . .
C20 C 0.6795(5) 0.6201(5) 0.7362(4) 0.0311(18) Uani 1 1 d . . .
C21 C 0.7172(6) 0.6848(5) 0.6827(4) 0.045(2) Uani 1 1 d . . .
H21 H 0.7465 0.7313 0.6990 0.054 Uiso 1 1 calc R . .
C22 C 0.7092(7) 0.6771(6) 0.6054(4) 0.052(2) Uani 1 1 d . . .
H22 H 0.7365 0.7183 0.5694 0.063 Uiso 1 1 calc R . .
C23 C 0.6283(7) 0.5550(6) 0.6302(4) 0.049(2) Uani 1 1 d . . .
H23 H 0.5966 0.5112 0.6123 0.059 Uiso 1 1 calc R . .
C24 C 0.6349(5) 0.5546(5) 0.7092(4) 0.0352(19) Uani 1 1 d . . .
H24 H 0.6095 0.5106 0.7432 0.042 Uiso 1 1 calc R . .
C25 C 0.4486(5) 0.8568(4) 0.9028(4) 0.0254(16) Uani 1 1 d . . .
C26 C 0.4420(5) 0.8665(5) 0.8170(4) 0.0315(17) Uani 1 1 d . . .
C27 C 0.3910(7) 0.9371(6) 0.7834(4) 0.061(3) Uani 1 1 d . . .
H27 H 0.3607 0.9823 0.8135 0.073 Uiso 1 1 calc R . .
C28 C 0.3849(7) 0.9410(7) 0.7054(5) 0.064(3) Uani 1 1 d . . .
H28 H 0.3488 0.9893 0.6843 0.077 Uiso 1 1 calc R . .
C29 C 0.4763(6) 0.8129(6) 0.6899(4) 0.045(2) Uani 1 1 d . . .
H29 H 0.5058 0.7686 0.6584 0.054 Uiso 1 1 calc R . .
C30 C 0.4866(6) 0.8039(5) 0.7677(4) 0.042(2) Uani 1 1 d . . .
H30 H 0.5239 0.7554 0.7872 0.050 Uiso 1 1 calc R . .
C31 C 0.6323(5) 1.0023(5) 0.8285(4) 0.0331(18) Uani 1 1 d . A .
C32 C 0.6213(6) 1.0280(5) 0.7436(4) 0.0332(18) Uani 1 1 d . . .
C33 C 0.5866(6) 1.1137(6) 0.7201(4) 0.045(2) Uani 1 1 d . . .
H33 H 0.5695 1.1571 0.7559 0.054 Uiso 1 1 calc R . .
C34 C 0.5783(7) 1.1328(6) 0.6417(5) 0.061(3) Uani 1 1 d . . .
H34 H 0.5542 1.1899 0.6261 0.073 Uiso 1 1 calc R . .
C35 C 0.6356(7) 0.9918(6) 0.6125(4) 0.054(3) Uani 1 1 d . . .
H35 H 0.6534 0.9496 0.5758 0.065 Uiso 1 1 calc R . .
C36 C 0.6443(6) 0.9666(5) 0.6883(4) 0.042(2) Uani 1 1 d . . .
H36 H 0.6657 0.9081 0.7025 0.051 Uiso 1 1 calc R . .
C37 C 0.8032(5) 0.3288(5) 0.8379(4) 0.0311(18) Uani 1 1 d . . .
C38 C 0.8177(5) 0.3764(5) 0.7597(4) 0.0311(17) Uani 1 1 d . . .
C39 C 0.8701(5) 0.4484(5) 0.7466(4) 0.0361(19) Uani 1 1 d . B .
H39 H 0.8962 0.4698 0.7872 0.043 Uiso 1 1 calc R . .
C40 C 0.8839(6) 0.4887(5) 0.6732(4) 0.039(2) Uani 1 1 d . . .
H40 H 0.9174 0.5388 0.6658 0.047 Uiso 1 1 calc R B .
C41 C 0.7992(7) 0.3878(6) 0.6245(4) 0.051(2) Uani 1 1 d . . .
H41 H 0.7749 0.3665 0.5829 0.061 Uiso 1 1 calc R B .
C42 C 0.7819(6) 0.3470(5) 0.6965(4) 0.044(2) Uani 1 1 d . B .
H42 H 0.7456 0.2987 0.7033 0.053 Uiso 1 1 calc R . .
C43 C 0.8928(7) 0.6279(6) 1.3410(5) 0.053(3) Uani 1 1 d . . .
H43 H 0.9038 0.6727 1.3719 0.064 Uiso 1 1 calc R . .
C44 C 0.8962(7) 0.6456(6) 1.2615(4) 0.050(2) Uani 1 1 d . . .
H44 H 0.9101 0.7014 1.2396 0.060 Uiso 1 1 calc R . .
C45 C 0.8789(5) 0.5811(5) 1.2156(4) 0.0318(18) Uani 1 1 d . . .
C46 C 0.8597(6) 0.4982(5) 1.2492(4) 0.046(2) Uani 1 1 d . . .
H46 H 0.8478 0.4528 1.2192 0.055 Uiso 1 1 calc R . .
C47 C 0.8587(7) 0.4849(6) 1.3283(5) 0.058(3) Uani 1 1 d . . .
H47 H 0.8465 0.4289 1.3510 0.069 Uiso 1 1 calc R . .
C48 C 0.8827(5) 0.5964(5) 1.1281(4) 0.0281(17) Uani 1 1 d . . .
C49 C 0.7972(5) 0.9576(5) 1.0330(4) 0.0323(18) Uani 1 1 d . . .
C50A C 0.8371(11) 0.8735(10) 1.0811(9) 0.034(4) Uani 0.556(14) 1 d PDU A 1
H50A H 0.9056 0.8627 1.0698 0.041 Uiso 0.556(14) 1 calc PR A 1
C51A C 0.807(2) 0.8879(14) 1.1685(8) 0.082(8) Uani 0.556(14) 1 d PD A 1
H51A H 0.8290 0.9426 1.1815 0.122 Uiso 0.556(14) 1 calc PR A 1
H51B H 0.8345 0.8389 1.1993 0.122 Uiso 0.556(14) 1 calc PR A 1
H51C H 0.7399 0.8913 1.1788 0.122 Uiso 0.556(14) 1 calc PR A 1
C50B C 0.7971(15) 0.8826(10) 1.0957(15) 0.034(4) Uani 0.444(14) 1 d PD A 2
H50B H 0.7395 0.8938 1.1312 0.041 Uiso 0.444(14) 1 calc PR A 2
C51B C 0.8809(19) 0.8793(19) 1.1448(15) 0.082(8) Uani 0.444(14) 1 d PD A 2
H51D H 0.8806 0.8272 1.1799 0.122 Uiso 0.444(14) 1 calc PR A 2
H51E H 0.8751 0.9318 1.1738 0.122 Uiso 0.444(14) 1 calc PR A 2
H51F H 0.9389 0.8768 1.1110 0.122 Uiso 0.444(14) 1 calc PR A 2
C52 C 0.8675(6) 0.6469(5) 0.9119(4) 0.0343(18) Uani 1 1 d . . .
C53A C 0.9139(9) 0.7274(9) 0.8707(7) 0.035(3) Uani 0.591(11) 1 d PDU A 1
H53A H 0.9644 0.7435 0.8988 0.052 Uiso 0.591(11) 1 calc PR A 1
C54A C 0.9518(12) 0.7056(11) 0.7866(8) 0.060(4) Uani 0.591(11) 1 d PDU A 1
H54A H 0.9973 0.6544 0.7873 0.091 Uiso 0.591(11) 1 calc PR A 1
H54B H 0.9809 0.7558 0.7607 0.091 Uiso 0.591(11) 1 calc PR A 1
H54C H 0.9006 0.6930 0.7594 0.091 Uiso 0.591(11) 1 calc PR A 1
C53B C 0.8903(11) 0.7167(10) 0.8439(13) 0.035(3) Uani 0.409(11) 1 d PDU A 2
H53B H 0.8664 0.6996 0.7971 0.042 Uiso 0.409(11) 1 calc PR A 2
C54B C 0.9970(13) 0.7248(16) 0.8273(15) 0.060(4) Uani 0.409(11) 1 d PDU A 2
H54D H 1.0186 0.7499 0.8704 0.091 Uiso 0.409(11) 1 calc PR A 2
H54E H 1.0093 0.7628 0.7813 0.091 Uiso 0.409(11) 1 calc PR A 2
H54F H 1.0294 0.6666 0.8199 0.091 Uiso 0.409(11) 1 calc PR A 2
Cl1 Cl 0.3850(2) 0.6481(2) 0.51538(14) 0.0686(7) Uani 1 1 d . . .
N1 N 0.8596(6) 1.0711(5) 0.5490(4) 0.052(2) Uani 1 1 d . . .
N2 N 0.8167(5) 0.1687(5) 1.3184(3) 0.0462(18) Uani 1 1 d . . .
N3 N 0.6277(6) 0.6217(6) 1.3351(4) 0.057(2) Uani 1 1 d . . .
N4 N 0.6650(5) 0.6145(5) 0.5793(3) 0.049(2) Uani 1 1 d . . .
N5 N 0.4272(6) 0.8803(5) 0.6575(4) 0.0509(19) Uani 1 1 d . . .
N6 N 0.6026(6) 1.0742(5) 0.5880(4) 0.056(2) Uani 1 1 d . . .
N7 N 0.8508(5) 0.4585(4) 0.6120(3) 0.0451(18) Uani 1 1 d . B .
N8 N 0.8742(5) 0.5480(5) 1.3744(4) 0.052(2) Uani 1 1 d . . .
O1 O 0.4348(7) 0.6613(7) 0.5762(6) 0.143(4) Uani 1 1 d . . .
O2 O 0.3290(7) 0.7334(6) 0.5019(5) 0.120(3) Uani 1 1 d . . .
O3 O 0.3190(6) 0.5831(5) 0.5392(4) 0.098(3) Uani 1 1 d . . .
O4 O 0.4369(9) 0.6291(8) 0.4462(6) 0.191(6) Uani 1 1 d . . .
Cl2 Cl 0.9978(2) 0.71706(19) 0.54209(18) 0.0789(8) Uani 1 1 d D . .
O5 O 0.9636(15) 0.6344(8) 0.5480(9) 0.107(5) Uani 0.634(18) 1 d PDU B 1
O6 O 0.9865(13) 0.7552(11) 0.4611(7) 0.137(7) Uani 0.634(18) 1 d PDU B 1
O7 O 0.9522(14) 0.7781(12) 0.5907(11) 0.177(8) Uani 0.634(18) 1 d PDU B 1
O8 O 1.0964(8) 0.7070(17) 0.5455(13) 0.132(3) Uani 0.634(18) 1 d PDU B 1
O5B O 0.971(3) 0.6440(15) 0.5085(13) 0.110(8) Uani 0.366(18) 1 d PDU B 2
O6B O 0.972(2) 0.7981(13) 0.5035(19) 0.165(8) Uani 0.366(18) 1 d PDU B 2
O7B O 0.958(2) 0.716(2) 0.6212(9) 0.180(11) Uani 0.366(18) 1 d PDU B 2
O8B O 1.0981(10) 0.706(3) 0.542(2) 0.132(3) Uani 0.366(18) 1 d PDU B 2
O13 O 0.7263(4) 0.3717(3) 1.0916(3) 0.0418(14) Uani 1 1 d . . .
O14 O 0.7361(5) 0.2357(3) 1.0481(3) 0.0523(17) Uani 1 1 d . . .
O15 O 0.9282(4) 0.9362(3) 0.8090(3) 0.0397(13) Uani 1 1 d . . .
O16 O 0.8349(4) 1.0600(4) 0.8365(3) 0.0456(15) Uani 1 1 d . . .
O17 O 0.6362(4) 0.5604(3) 1.0571(3) 0.0378(13) Uani 1 1 d . . .
O18 O 0.6098(4) 0.7079(3) 1.0544(3) 0.0369(13) Uani 1 1 d . . .
O19 O 0.7095(4) 0.5533(3) 0.8597(2) 0.0358(13) Uani 1 1 d . . .
O20 O 0.6707(4) 0.7014(3) 0.8475(3) 0.0411(14) Uani 1 1 d . . .
O21 O 0.5083(4) 0.7979(3) 0.9272(2) 0.0325(12) Uani 1 1 d . . .
O22 O 0.3931(4) 0.9084(3) 0.9453(3) 0.0349(12) Uani 1 1 d . . .
O23 O 0.6487(4) 0.9214(3) 0.8462(3) 0.0397(14) Uani 1 1 d . . .
O24 O 0.6210(4) 1.0648(3) 0.8741(3) 0.0365(13) Uani 1 1 d . . .
O25 O 0.7700(4) 0.2556(3) 0.8423(3) 0.0409(14) Uani 1 1 d . . .
O26 O 0.8239(4) 0.3672(3) 0.8951(2) 0.0367(13) Uani 1 1 d . . .
O27 O 0.8464(4) 0.5404(4) 1.0938(3) 0.0458(15) Uani 1 1 d . . .
O28 O 0.9188(4) 0.6641(4) 1.0976(3) 0.0436(14) Uani 1 1 d . . .
O29 O 0.8235(4) 1.0319(3) 1.0458(3) 0.0425(14) Uani 1 1 d . A .
O30 O 0.7506(3) 0.9485(3) 0.9771(2) 0.0312(12) Uani 1 1 d . A .
O31 O 0.7900(4) 0.8005(3) 1.0602(3) 0.0405(14) Uani 1 1 d D . .
O32 O 0.7944(3) 0.6618(3) 0.9589(2) 0.0268(11) Uani 1 1 d . A .
O33 O 0.9103(4) 0.5697(3) 0.9060(3) 0.0359(13) Uani 1 1 d . A .
O34 O 0.8394(4) 0.7985(4) 0.8690(4) 0.0490(15) Uani 1 1 d D . .
H34A H 0.870(6) 0.839(5) 0.850(5) 0.073 Uiso 1 1 d D . .
O1W O 0.5963(4) 1.2448(3) 0.9273(3) 0.0430(14) Uani 1 1 d D . .
H1WA H 0.5416 1.2333 0.9343 0.065 Uiso 1 1 d RD A .
H1WB H 0.6145 1.2527 0.8812 0.065 Uiso 1 1 d RD . .
O2W O 0.5727(4) 0.9089(3) 1.0471(3) 0.0461(14) Uani 1 1 d D . .
H2WA H 0.5846 0.9606 1.0491 0.069 Uiso 1 1 d RD A .
H2WB H 0.5196 0.9020 1.0686 0.069 Uiso 1 1 d RD . .
O3W O 0.6129(4) 0.4291(3) 0.9466(3) 0.0461(14) Uani 1 1 d D . .
H3WA H 0.5907 0.4788 0.9312 0.069 Uiso 1 1 d RD A .
H3WB H 0.5809 0.4113 0.9859 0.069 Uiso 1 1 d RD . .
O4W O 0.9322(4) 0.3954(3) 1.0115(3) 0.0451(14) Uani 1 1 d D . .
H4WA H 0.9556 0.4102 1.0490 0.068 Uiso 1 1 d RD A .
H4WB H 0.9707 0.3970 0.9725 0.068 Uiso 1 1 d RD . .
O5W O 0.4889(5) 0.6002(4) 0.9052(4) 0.0667(19) Uani 1 1 d D . .
H5WA H 0.5110 0.6469 0.9113 0.100 Uiso 1 1 d RD . .
H5WB H 0.4362 0.6101 0.8912 0.100 Uiso 1 1 d RD . .
O6W O 0.9040(4) 1.1840(4) 0.9483(4) 0.0634(18) Uani 1 1 d D . .
H6WA H 0.9421 1.1670 0.9790 0.095 Uiso 1 1 d RD A .
H6WB H 0.9056 1.2372 0.9359 0.095 Uiso 1 1 d RD . .
O7W O 0.9958(5) 0.9204(4) 0.9519(3) 0.0675(19) Uani 1 1 d D . .
H7WB H 0.9719 0.9459 0.9124 0.101 Uiso 1 1 d RD . .
H7WA H 0.9693 0.9484 0.9925 0.101 Uiso 1 1 d RD . .
O8W O 0.5840(12) 0.8008(10) 0.4831(11) 0.118(9) Uani 0.505(18) 1 d PD . .
H8WA H 0.5629 0.8602 0.4786 0.176 Uiso 0.505(18) 1 d PRD . .
H8WB H 0.5356 0.7696 0.5071 0.176 Uiso 0.505(18) 1 d PRD . .
La1 La 0.68197(3) 0.80528(3) 0.95051(2) 0.02551(11) Uani 1 1 d . A .
La2 La 0.73863(3) 1.13103(3) 0.94390(2) 0.02725(11) Uani 1 1 d . . .
La3 La 0.77585(3) 0.48675(3) 0.98386(2) 0.02712(11) Uani 1 1 d . A .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.128(6) 1_564 ?
Ag1 N1 2.149(6) . ?
Ag2 N8 2.127(6) 1_554 ?
Ag2 N7 2.138(6) . ?
Ag2 O5B 2.564(18) . ?
Ag3 N6 2.169(6) 2_676 ?
Ag3 N5 2.178(6) . ?
Ag3 H8WA 2.2482 . ?
Ag4 N4 2.164(6) . ?
Ag4 N3 2.173(6) 1_554 ?
C1 N1 1.346(10) . ?
C1 C2 1.365(10) . ?
C1 H1 0.9300 . ?
C2 C3 1.378(10) . ?
C2 H2 0.9300 . ?
C3 C4 1.366(11) . ?
C3 C6 1.525(9) . ?
C4 C5 1.386(10) . ?
C4 H4 0.9300 . ?
C5 N1 1.336(10) . ?
C5 H5 0.9300 . ?
C6 O16 1.244(9) . ?
C6 O15 1.251(9) . ?
C7 N2 1.341(11) . ?
C7 C8 1.385(10) . ?
C7 H7 0.9300 . ?
C8 C9 1.375(10) . ?
C8 H8 0.9300 . ?
C9 C10 1.366(10) . ?
C9 C12 1.495(9) . ?
C10 C11 1.379(10) . ?
C10 H10 0.9300 . ?
C11 N2 1.330(10) . ?
C11 H11 0.9300 . ?
C12 O14 1.241(8) . ?
C12 O13 1.273(8) . ?
C13 O18 1.251(8) . ?
C13 O17 1.254(8) . ?
C13 C14 1.515(9) . ?
C14 C15 1.362(10) . ?
C14 C18 1.372(10) . ?
C15 C16 1.372(10) . ?
C15 H15 0.9300 . ?
C16 N3 1.322(11) . ?
C16 H16 0.9300 . ?
C17 N3 1.329(11) . ?
C17 C18 1.377(11) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 O20 1.256(8) . ?
C19 O19 1.258(8) . ?
C19 C20 1.514(9) . ?
C20 C24 1.367(10) . ?
C20 C21 1.403(10) . ?
C21 C22 1.377(10) . ?
C21 H21 0.9300 . ?
C22 N4 1.323(11) . ?
C22 H22 0.9300 . ?
C23 N4 1.319(10) . ?
C23 C24 1.388(9) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 O21 1.259(8) . ?
C25 O22 1.267(8) . ?
C25 C26 1.502(9) . ?
C26 C27 1.366(10) . ?
C26 C30 1.379(10) . ?
C27 C28 1.366(11) . ?
C27 H27 0.9300 . ?
C28 N5 1.333(11) . ?
C28 H28 0.9300 . ?
C29 N5 1.309(10) . ?
C29 C30 1.375(9) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 O23 1.243(8) . ?
C31 O24 1.259(8) . ?
C31 C32 1.522(9) . ?
C32 C36 1.370(10) . ?
C32 C33 1.389(10) . ?
C33 C34 1.390(10) . ?
C33 H33 0.9300 . ?
C34 N6 1.324(11) . ?
C34 H34 0.9300 . ?
C35 N6 1.344(11) . ?
C35 C36 1.362(10) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 O25 1.240(8) . ?
C37 O26 1.265(8) . ?
C37 C38 1.493(9) . ?
C38 C39 1.373(10) . ?
C38 C42 1.385(9) . ?
C39 C40 1.374(9) . ?
C39 H39 0.9300 . ?
C40 N7 1.341(9) . ?
C40 H40 0.9300 . ?
C41 N7 1.349(10) . ?
C41 C42 1.362(10) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C43 N8 1.337(10) . ?
C43 C44 1.384(10) . ?
C43 H43 0.9300 . ?
C44 C45 1.360(10) . ?
C44 H44 0.9300 . ?
C45 C46 1.380(10) . ?
C45 C48 1.519(9) . ?
C46 C47 1.375(10) . ?
C46 H46 0.9300 . ?
C47 N8 1.338(10) . ?
C47 H47 0.9300 . ?
C48 O28 1.247(8) . ?
C48 O27 1.254(8) . ?
C49 O29 1.260(8) . ?
C49 O30 1.266(8) . ?
C49 C50B 1.51(3) . ?
C49 C50A 1.57(2) . ?
C49 La2 3.039(7) . ?
C50A O31 1.438(10) . ?
C50A C51A 1.554(12) . ?
C50A H50A 0.9800 . ?
C51A H51A 0.9600 . ?
C51A H51B 0.9600 . ?
C51A H51C 0.9600 . ?
C50B O31 1.439(11) . ?
C50B C51B 1.550(12) . ?
C50B H50B 0.9800 . ?
C51B H51D 0.9600 . ?
C51B H51E 0.9600 . ?
C51B H51F 0.9600 . ?
C52 O32 1.263(9) . ?
C52 O33 1.266(9) . ?
C52 C53A 1.535(16) . ?
C52 C53B 1.55(2) . ?
C52 La3 2.992(8) . ?
C53A O34 1.439(11) . ?
C53A C54A 1.545(11) . ?
C53A H53A 0.9800 . ?
C54A H54A 0.9600 . ?
C54A H54B 0.9600 . ?
C54A H54C 0.9600 . ?
C53B O34 1.438(12) . ?
C53B C54B 1.541(12) . ?
C53B H53B 0.9800 . ?
C54B H54D 0.9600 . ?
C54B H54E 0.9600 . ?
C54B H54F 0.9600 . ?
Cl1 O4 1.370(9) . ?
Cl1 O1 1.381(8) . ?
Cl1 O3 1.438(8) . ?
Cl1 O2 1.466(9) . ?
N2 Ag1 2.128(6) 1_546 ?
N3 Ag4 2.173(6) 1_556 ?
N6 Ag3 2.169(6) 2_676 ?
N8 Ag2 2.127(6) 1_556 ?
Cl2 O7 1.359(10) . ?
Cl2 O5 1.377(9) . ?
Cl2 O6B 1.390(13) . ?
Cl2 O5B 1.393(12) . ?
Cl2 O8 1.417(10) . ?
Cl2 O7B 1.423(13) . ?
Cl2 O8B 1.433(12) . ?
Cl2 O6 1.503(10) . ?
O13 La3 2.549(5) . ?
O14 La2 2.482(5) 1_545 ?
O16 La2 2.433(5) . ?
O17 La3 2.455(5) . ?
O18 La1 2.444(5) . ?
O19 La3 2.561(4) . ?
O20 La1 2.492(4) . ?
O21 La1 2.589(5) . ?
O22 La2 2.616(5) 2_677 ?
O23 La1 2.483(5) . ?
O24 La2 2.515(5) . ?
O25 La2 2.522(5) 1_545 ?
O26 La3 2.449(5) . ?
O27 La3 2.487(5) . ?
O29 La2 2.574(5) . ?
O30 La1 2.556(5) . ?
O30 La2 2.763(5) . ?
O31 La1 2.591(5) . ?
O32 La1 2.573(5) . ?
O32 La3 2.678(5) . ?
O33 La3 2.598(5) . ?
O34 La1 2.520(6) . ?
O34 H34A 0.818(11) . ?
O1W La2 2.564(5) . ?
O1W H1WA 0.8152 . ?
O1W H1WB 0.8172 . ?
O2W La1 2.642(5) . ?
O2W H2WA 0.8195 . ?
O2W H2WB 0.8226 . ?
O3W La3 2.740(5) . ?
O3W H3WA 0.8243 . ?
O3W H3WB 0.8204 . ?
O4W La3 2.591(5) . ?
O4W H4WA 0.8228 . ?
O4W H4WB 0.8228 . ?
O5W H5WA 0.8201 . ?
O5W H5WB 0.8188 . ?
O6W La2 2.592(6) . ?
O6W H6WA 0.8184 . ?
O6W H6WB 0.8189 . ?
O7W H7WB 0.8545 . ?
O7W H7WA 0.8756 . ?
O8W H8WA 0.9180 . ?
O8W H8WB 0.9215 . ?
La2 O14 2.482(5) 1_565 ?
La2 O25 2.522(5) 1_565 ?
La2 O22 2.616(5) 2_677 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N1 171.2(3) 1_564 . ?
N8 Ag2 N7 167.4(3) 1_554 . ?
N8 Ag2 O5B 90.0(6) 1_554 . ?
N7 Ag2 O5B 102.5(6) . . ?
N6 Ag3 N5 173.7(3) 2_676 . ?
N6 Ag3 H8WA 79.5 2_676 . ?
N5 Ag3 H8WA 103.9 . . ?
N4 Ag4 N3 176.7(3) . 1_554 ?
N1 C1 C2 121.1(7) . . ?
N1 C1 H1 119.4 . . ?
C2 C1 H1 119.4 . . ?
C1 C2 C3 120.8(7) . . ?
C1 C2 H2 119.6 . . ?
C3 C2 H2 119.6 . . ?
C4 C3 C2 117.6(7) . . ?
C4 C3 C6 120.1(7) . . ?
C2 C3 C6 122.2(7) . . ?
C3 C4 C5 119.9(8) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
N1 C5 C4 121.5(8) . . ?
N1 C5 H5 119.2 . . ?
C4 C5 H5 119.2 . . ?
O16 C6 O15 126.9(7) . . ?
O16 C6 C3 116.8(7) . . ?
O15 C6 C3 116.3(7) . . ?
N2 C7 C8 123.6(8) . . ?
N2 C7 H7 118.2 . . ?
C8 C7 H7 118.2 . . ?
C9 C8 C7 119.2(8) . . ?
C9 C8 H8 120.4 . . ?
C7 C8 H8 120.4 . . ?
C10 C9 C8 116.8(7) . . ?
C10 C9 C12 120.7(6) . . ?
C8 C9 C12 122.5(7) . . ?
C9 C10 C11 121.5(7) . . ?
C9 C10 H10 119.2 . . ?
C11 C10 H10 119.2 . . ?
N2 C11 C10 122.1(8) . . ?
N2 C11 H11 119.0 . . ?
C10 C11 H11 119.0 . . ?
O14 C12 O13 124.1(6) . . ?
O14 C12 C9 118.5(6) . . ?
O13 C12 C9 117.4(6) . . ?
O18 C13 O17 124.4(6) . . ?
O18 C13 C14 117.8(6) . . ?
O17 C13 C14 117.7(6) . . ?
C15 C14 C18 117.4(7) . . ?
C15 C14 C13 121.8(7) . . ?
C18 C14 C13 120.6(7) . . ?
C14 C15 C16 120.7(8) . . ?
C14 C15 H15 119.6 . . ?
C16 C15 H15 119.6 . . ?
N3 C16 C15 121.6(8) . . ?
N3 C16 H16 119.2 . . ?
C15 C16 H16 119.2 . . ?
N3 C17 C18 122.2(8) . . ?
N3 C17 H17 118.9 . . ?
C18 C17 H17 118.9 . . ?
C14 C18 C17 119.4(8) . . ?
C14 C18 H18 120.3 . . ?
C17 C18 H18 120.3 . . ?
O20 C19 O19 126.7(6) . . ?
O20 C19 C20 115.6(6) . . ?
O19 C19 C20 117.6(6) . . ?
C24 C20 C21 118.6(6) . . ?
C24 C20 C19 122.1(7) . . ?
C21 C20 C19 119.3(6) . . ?
C22 C21 C20 117.7(8) . . ?
C22 C21 H21 121.2 . . ?
C20 C21 H21 121.2 . . ?
N4 C22 C21 123.7(8) . . ?
N4 C22 H22 118.1 . . ?
C21 C22 H22 118.1 . . ?
N4 C23 C24 123.1(8) . . ?
N4 C23 H23 118.5 . . ?
C24 C23 H23 118.5 . . ?
C20 C24 C23 118.8(7) . . ?
C20 C24 H24 120.6 . . ?
C23 C24 H24 120.6 . . ?
O21 C25 O22 124.8(6) . . ?
O21 C25 C26 117.8(6) . . ?
O22 C25 C26 117.4(6) . . ?
C27 C26 C30 116.3(6) . . ?
C27 C26 C25 122.2(7) . . ?
C30 C26 C25 121.6(6) . . ?
C26 C27 C28 119.7(8) . . ?
C26 C27 H27 120.2 . . ?
C28 C27 H27 120.2 . . ?
N5 C28 C27 124.4(8) . . ?
N5 C28 H28 117.8 . . ?
C27 C28 H28 117.8 . . ?
N5 C29 C30 123.7(8) . . ?
N5 C29 H29 118.1 . . ?
C30 C29 H29 118.1 . . ?
C29 C30 C26 120.2(7) . . ?
C29 C30 H30 119.9 . . ?
C26 C30 H30 119.9 . . ?
O23 C31 O24 126.6(6) . . ?
O23 C31 C32 116.5(6) . . ?
O24 C31 C32 116.9(6) . . ?
C36 C32 C33 118.2(7) . . ?
C36 C32 C31 120.8(7) . . ?
C33 C32 C31 121.0(7) . . ?
C32 C33 C34 118.1(8) . . ?
C32 C33 H33 120.9 . . ?
C34 C33 H33 120.9 . . ?
N6 C34 C33 123.7(8) . . ?
N6 C34 H34 118.1 . . ?
C33 C34 H34 118.1 . . ?
N6 C35 C36 123.6(8) . . ?
N6 C35 H35 118.2 . . ?
C36 C35 H35 118.2 . . ?
C35 C36 C32 119.6(8) . . ?
C35 C36 H36 120.2 . . ?
C32 C36 H36 120.2 . . ?
O25 C37 O26 124.8(6) . . ?
O25 C37 C38 117.8(6) . . ?
O26 C37 C38 117.4(7) . . ?
C39 C38 C42 117.2(7) . . ?
C39 C38 C37 121.8(6) . . ?
C42 C38 C37 120.9(7) . . ?
C38 C39 C40 119.9(7) . . ?
C38 C39 H39 120.0 . . ?
C40 C39 H39 120.0 . . ?
N7 C40 C39 122.5(8) . . ?
N7 C40 H40 118.7 . . ?
C39 C40 H40 118.7 . . ?
N7 C41 C42 121.7(7) . . ?
N7 C41 H41 119.2 . . ?
C42 C41 H41 119.2 . . ?
C41 C42 C38 120.8(8) . . ?
C41 C42 H42 119.6 . . ?
C38 C42 H42 119.6 . . ?
N8 C43 C44 121.7(8) . . ?
N8 C43 H43 119.2 . . ?
C44 C43 H43 119.2 . . ?
C45 C44 C43 119.9(8) . . ?
C45 C44 H44 120.1 . . ?
C43 C44 H44 120.1 . . ?
C44 C45 C46 119.2(7) . . ?
C44 C45 C48 122.1(7) . . ?
C46 C45 C48 118.7(6) . . ?
C47 C46 C45 117.9(7) . . ?
C47 C46 H46 121.0 . . ?
C45 C46 H46 121.0 . . ?
N8 C47 C46 123.6(8) . . ?
N8 C47 H47 118.2 . . ?
C46 C47 H47 118.2 . . ?
O28 C48 O27 126.5(6) . . ?
O28 C48 C45 117.4(6) . . ?
O27 C48 C45 116.1(7) . . ?
O29 C49 O30 121.9(6) . . ?
O29 C49 C50B 119.9(7) . . ?
O30 C49 C50B 116.2(8) . . ?
O29 C49 C50A 117.2(7) . . ?
O30 C49 C50A 120.3(7) . . ?
O29 C49 La2 56.8(4) . . ?
O30 C49 La2 65.4(4) . . ?
C50B C49 La2 160.3(9) . . ?
C50A C49 La2 173.5(6) . . ?
O31 C50A C51A 108.2(13) . . ?
O31 C50A C49 105.5(10) . . ?
C51A C50A C49 108.0(13) . . ?
O31 C50A H50A 111.6 . . ?
C51A C50A H50A 111.6 . . ?
C49 C50A H50A 111.6 . . ?
O31 C50B C49 108.1(15) . . ?
O31 C50B C51B 114.1(15) . . ?
C49 C50B C51B 113.4(18) . . ?
O31 C50B H50B 106.9 . . ?
C49 C50B H50B 106.9 . . ?
C51B C50B H50B 106.9 . . ?
C50B C51B H51D 109.5 . . ?
C50B C51B H51E 109.5 . . ?
H51D C51B H51E 109.5 . . ?
C50B C51B H51F 109.5 . . ?
H51D C51B H51F 109.5 . . ?
H51E C51B H51F 109.5 . . ?
O32 C52 O33 122.1(7) . . ?
O32 C52 C53A 118.1(7) . . ?
O33 C52 C53A 119.0(8) . . ?
O32 C52 C53B 119.2(8) . . ?
O33 C52 C53B 116.4(8) . . ?
O32 C52 La3 63.5(4) . . ?
O33 C52 La3 59.9(4) . . ?
C53A C52 La3 176.9(6) . . ?
C53B C52 La3 153.0(8) . . ?
O34 C53A C52 105.2(9) . . ?
O34 C53A C54A 109.0(10) . . ?
C52 C53A C54A 109.3(11) . . ?
O34 C53A H53A 111.0 . . ?
C52 C53A H53A 111.0 . . ?
C54A C53A H53A 111.0 . . ?
O34 C53B C54B 112.1(14) . . ?
O34 C53B C52 104.4(12) . . ?
C54B C53B C52 111.6(15) . . ?
O34 C53B H53B 109.6 . . ?
C54B C53B H53B 109.6 . . ?
C52 C53B H53B 109.6 . . ?
C53B C54B H54D 109.5 . . ?
C53B C54B H54E 109.5 . . ?
H54D C54B H54E 109.5 . . ?
C53B C54B H54F 109.5 . . ?
H54D C54B H54F 109.5 . . ?
H54E C54B H54F 109.5 . . ?
O4 Cl1 O1 116.5(8) . . ?
O4 Cl1 O3 111.5(6) . . ?
O1 Cl1 O3 109.9(6) . . ?
O4 Cl1 O2 106.7(8) . . ?
O1 Cl1 O2 104.9(6) . . ?
O3 Cl1 O2 106.5(6) . . ?
C5 N1 C1 118.9(7) . . ?
C5 N1 Ag1 117.3(6) . . ?
C1 N1 Ag1 123.8(5) . . ?
C11 N2 C7 116.8(7) . . ?
C11 N2 Ag1 123.9(6) . 1_546 ?
C7 N2 Ag1 119.3(5) . 1_546 ?
C16 N3 C17 118.6(7) . . ?
C16 N3 Ag4 122.3(6) . 1_556 ?
C17 N3 Ag4 119.1(6) . 1_556 ?
C23 N4 C22 118.0(6) . . ?
C23 N4 Ag4 121.3(6) . . ?
C22 N4 Ag4 120.5(6) . . ?
C29 N5 C28 115.8(7) . . ?
C29 N5 Ag3 123.2(6) . . ?
C28 N5 Ag3 121.1(6) . . ?
C34 N6 C35 116.7(7) . . ?
C34 N6 Ag3 123.0(6) . 2_676 ?
C35 N6 Ag3 120.2(6) . 2_676 ?
C40 N7 C41 117.9(7) . . ?
C40 N7 Ag2 125.2(6) . . ?
C41 N7 Ag2 116.9(5) . . ?
C43 N8 C47 117.8(7) . . ?
C43 N8 Ag2 123.7(5) . 1_556 ?
C47 N8 Ag2 118.5(6) . 1_556 ?
O7 Cl2 O5 116.2(9) . . ?
O7 Cl2 O6B 67.3(12) . . ?
O5 Cl2 O6B 133.6(18) . . ?
O7 Cl2 O5B 134(2) . . ?
O6B Cl2 O5B 113.1(11) . . ?
O7 Cl2 O8 112.7(9) . . ?
O5 Cl2 O8 109.9(9) . . ?
O6B Cl2 O8 110(2) . . ?
O5B Cl2 O8 110(2) . . ?
O5 Cl2 O7B 80.9(11) . . ?
O6B Cl2 O7B 110.8(11) . . ?
O5B Cl2 O7B 108.4(10) . . ?
O8 Cl2 O7B 104(2) . . ?
O7 Cl2 O8B 115(2) . . ?
O5 Cl2 O8B 109(2) . . ?
O6B Cl2 O8B 109.3(11) . . ?
O5B Cl2 O8B 108.1(11) . . ?
O7B Cl2 O8B 106.9(11) . . ?
O7 Cl2 O6 106.2(8) . . ?
O5 Cl2 O6 106.3(7) . . ?
O5B Cl2 O6 78.7(10) . . ?
O8 Cl2 O6 104.6(9) . . ?
O7B Cl2 O6 145.5(16) . . ?
O8B Cl2 O6 102.3(19) . . ?
Cl2 O5B Ag2 156.4(19) . . ?
C12 O13 La3 132.8(5) . . ?
C12 O14 La2 174.9(6) . 1_545 ?
C6 O16 La2 166.1(5) . . ?
C13 O17 La3 133.2(5) . . ?
C13 O18 La1 143.1(5) . . ?
C19 O19 La3 144.1(4) . . ?
C19 O20 La1 149.5(4) . . ?
C25 O21 La1 131.2(4) . . ?
C25 O22 La2 129.3(4) . 2_677 ?
C31 O23 La1 146.7(4) . . ?
C31 O24 La2 130.3(5) . . ?
C37 O25 La2 137.6(4) . 1_545 ?
C37 O26 La3 145.5(5) . . ?
C48 O27 La3 154.6(5) . . ?
C49 O29 La2 99.0(4) . . ?
C49 O30 La1 125.3(4) . . ?
C49 O30 La2 90.0(4) . . ?
La1 O30 La2 143.34(18) . . ?
C50A O31 La1 126.2(8) . . ?
C50B O31 La1 117.9(8) . . ?
C52 O32 La1 123.3(5) . . ?
C52 O32 La3 91.5(4) . . ?
La1 O32 La3 135.97(19) . . ?
C52 O33 La3 95.2(5) . . ?
C53B O34 La1 123.5(8) . . ?
C53A O34 La1 126.8(6) . . ?
C53B O34 H34A 107(7) . . ?
C53A O34 H34A 99(7) . . ?
La1 O34 H34A 130(7) . . ?
La2 O1W H1WA 124.7 . . ?
La2 O1W H1WB 90.1 . . ?
H1WA O1W H1WB 112.0 . . ?
La1 O2W H2WA 118.6 . . ?
La1 O2W H2WB 129.1 . . ?
H2WA O2W H2WB 110.4 . . ?
La3 O3W H3WA 95.0 . . ?
La3 O3W H3WB 110.4 . . ?
H3WA O3W H3WB 110.2 . . ?
La3 O4W H4WA 115.0 . . ?
La3 O4W H4WB 110.1 . . ?
H4WA O4W H4WB 110.0 . . ?
H5WA O5W H5WB 110.9 . . ?
La2 O6W H6WA 127.9 . . ?
La2 O6W H6WB 112.3 . . ?
H6WA O6W H6WB 111.3 . . ?
H7WB O7W H7WA 107.1 . . ?
H8WA O8W H8WB 108.7 . . ?
O18 La1 O23 144.25(18) . . ?
O18 La1 O20 93.86(17) . . ?
O23 La1 O20 83.09(15) . . ?
O18 La1 O34 134.08(17) . . ?
O23 La1 O34 79.45(18) . . ?
O20 La1 O34 74.3(2) . . ?
O18 La1 O30 122.37(15) . . ?
O23 La1 O30 70.85(15) . . ?
O20 La1 O30 143.33(16) . . ?
O34 La1 O30 75.86(18) . . ?
O18 La1 O32 73.51(16) . . ?
O23 La1 O32 134.68(16) . . ?
O20 La1 O32 66.44(14) . . ?
O34 La1 O32 60.99(16) . . ?
O30 La1 O32 115.38(15) . . ?
O18 La1 O21 72.13(16) . . ?
O23 La1 O21 73.56(16) . . ?
O20 La1 O21 69.15(17) . . ?
O34 La1 O21 136.49(18) . . ?
O30 La1 O21 123.94(15) . . ?
O32 La1 O21 120.51(15) . . ?
O18 La1 O31 75.29(17) . . ?
O23 La1 O31 131.26(16) . . ?
O20 La1 O31 132.60(16) . . ?
O34 La1 O31 80.97(19) . . ?
O30 La1 O31 61.20(15) . . ?
O32 La1 O31 66.23(14) . . ?
O21 La1 O31 142.03(16) . . ?
O18 La1 O2W 72.71(17) . . ?
O23 La1 O2W 87.05(17) . . ?
O20 La1 O2W 140.32(17) . . ?
O34 La1 O2W 141.01(18) . . ?
O30 La1 O2W 65.16(16) . . ?
O32 La1 O2W 137.65(15) . . ?
O21 La1 O2W 71.19(15) . . ?
O31 La1 O2W 81.00(17) . . ?
O16 La2 O14 145.0(2) . 1_565 ?
O16 La2 O24 76.39(18) . . ?
O14 La2 O24 137.51(19) 1_565 . ?
O16 La2 O25 74.70(17) . 1_565 ?
O14 La2 O25 90.37(16) 1_565 1_565 ?
O24 La2 O25 95.47(16) . 1_565 ?
O16 La2 O1W 123.78(17) . . ?
O14 La2 O1W 74.70(18) 1_565 . ?
O24 La2 O1W 69.76(16) . . ?
O25 La2 O1W 65.68(18) 1_565 . ?
O16 La2 O29 92.53(18) . . ?
O14 La2 O29 78.56(16) 1_565 . ?
O24 La2 O29 118.73(16) . . ?
O25 La2 O29 139.85(18) 1_565 . ?
O1W La2 O29 143.06(17) . . ?
O16 La2 O6W 76.1(2) . . ?
O14 La2 O6W 69.0(2) 1_565 . ?
O24 La2 O6W 151.18(18) . . ?
O25 La2 O6W 69.10(18) 1_565 . ?
O1W La2 O6W 120.49(18) . . ?
O29 La2 O6W 70.90(17) . . ?
O16 La2 O22 138.82(17) . 2_677 ?
O14 La2 O22 71.61(18) 1_565 2_677 ?
O24 La2 O22 76.40(16) . 2_677 ?
O25 La2 O22 138.26(17) 1_565 2_677 ?
O1W La2 O22 73.22(16) . 2_677 ?
O29 La2 O22 74.44(17) . 2_677 ?
O6W La2 O22 131.39(17) . 2_677 ?
O16 La2 O30 71.96(16) . . ?
O14 La2 O30 120.90(14) 1_565 . ?
O24 La2 O30 70.99(14) . . ?
O25 La2 O30 146.10(15) 1_565 . ?
O1W La2 O30 131.16(16) . . ?
O29 La2 O30 48.72(14) . . ?
O6W La2 O30 107.92(16) . . ?
O22 La2 O30 70.26(15) 2_677 . ?
O16 La2 C49 82.91(18) . . ?
O14 La2 C49 99.13(18) 1_565 . ?
O24 La2 C49 94.84(18) . . ?
O25 La2 C49 152.3(2) 1_565 . ?
O1W La2 C49 141.92(19) . . ?
O6W La2 C49 90.06(19) . . ?
O22 La2 C49 69.27(18) 2_677 . ?
O26 La3 O17 141.77(17) . . ?
O26 La3 O27 133.60(18) . . ?
O17 La3 O27 78.94(18) . . ?
O26 La3 O13 90.12(16) . . ?
O17 La3 O13 75.21(17) . . ?
O27 La3 O13 79.47(16) . . ?
O26 La3 O19 78.31(15) . . ?
O17 La3 O19 87.65(16) . . ?
O27 La3 O19 137.81(16) . . ?
O13 La3 O19 135.31(17) . . ?
O26 La3 O4W 66.74(16) . . ?
O17 La3 O4W 138.42(16) . . ?
O27 La3 O4W 66.87(17) . . ?
O13 La3 O4W 75.87(18) . . ?
O19 La3 O4W 133.68(17) . . ?
O26 La3 O33 85.72(16) . . ?
O17 La3 O33 124.65(16) . . ?
O27 La3 O33 80.79(17) . . ?
O13 La3 O33 148.22(17) . . ?
O19 La3 O33 74.48(16) . . ?
O4W La3 O33 73.55(16) . . ?
O26 La3 O32 128.52(15) . . ?
O17 La3 O32 75.14(16) . . ?
O27 La3 O32 70.64(15) . . ?
O13 La3 O32 141.14(15) . . ?
O19 La3 O32 67.27(14) . . ?
O4W La3 O32 112.47(15) . . ?
O33 La3 O32 49.56(15) . . ?
O26 La3 O3W 73.82(17) . . ?
O17 La3 O3W 68.26(16) . . ?
O27 La3 O3W 141.88(17) . . ?
O13 La3 O3W 73.95(16) . . ?
O19 La3 O3W 61.37(16) . . ?
O4W La3 O3W 129.52(16) . . ?
O33 La3 O3W 133.97(15) . . ?
O32 La3 O3W 116.52(15) . . ?
O26 La3 C52 106.11(19) . . ?
O17 La3 C52 100.0(2) . . ?
O27 La3 C52 77.16(18) . . ?
O13 La3 C52 156.63(17) . . ?
O19 La3 C52 66.00(17) . . ?
O4W La3 C52 94.88(19) . . ?
O3W La3 C52 126.21(17) . . ?

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        26.50
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         1.085
_refine_diff_density_min         -1.164
_refine_diff_density_rms         0.162

# start Validation Reply Form
_vrf_PLAT220_6a                  
;
PROBLEM:
RESPONSE: The oxygen atoms in question belong to disordered perchlorate
and water molecules.
;

_vrf_PLAT242_6a                  
;
PROBLEM:
RESPONSE: The oxygen atoms in question belong to a disordered
perchlorate anion.
;

# end Validation Reply Form

data_7
_database_code_depnum_ccdc_archive 'CCDC 713254'

#============================================================

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H52.25 Ag4 Cl2 N8 O35.63 Sm3'
_chemical_formula_weight         2336.79

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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           triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   14.0535(4)
_cell_length_b                   14.8033(4)
_cell_length_c                   17.3184(4)
_cell_angle_alpha                86.265(2)
_cell_angle_beta                 84.502(2)
_cell_angle_gamma                84.233(2)
_cell_volume                     3562.55(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    11023
_cell_measurement_theta_min      1.36
_cell_measurement_theta_max      28.00

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.178
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2253
_exptl_absorpt_coefficient_mu    3.681
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6464
_exptl_absorpt_correction_T_max  0.7159
_exptl_absorpt_process_details   'Apex2 v2.1-4 (Bruker, 2007)'

_exptl_special_details           
;
Two crystallographically independent racemic lactate anions
are disordered over two positions; the disorders refined to
0.572(15):0.428(15) and 0.627(13):0.373(13).
Carbon-bound H atoms were placed at calculated
positions and were treated as riding on the parent C atoms.
The hydroxy and water H atoms were located in a difference
Fourier map, and were refined with distance restraints of
O--H 0.83+-0.01 Å and H...H
1.35+-0.01 Å; their temperature factors were freely refined.
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker AXS SMART APEX CCD diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            43332
_diffrn_reflns_av_R_equivalents  0.0758
_diffrn_reflns_av_sigmaI/netI    0.1070
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.38
_diffrn_reflns_theta_max         26.50
_reflns_number_total             14688
_reflns_number_gt                9321
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Apex2 v2.1-4 (Bruker, 2007)'
_computing_cell_refinement       'Apex2 v2.1-4'
_computing_data_reduction        'Apex2 v2.1-4'
_computing_structure_solution    'SHELXTL 6.14 (Bruker, 2000-2003)'
_computing_structure_refinement  'SHELXTL 6.14'
_computing_molecular_graphics    'SHELXTL 6.14'
_computing_publication_material  'SHELXTL 6.14'

_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)+(0.0673P)²] 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         14688
_refine_ls_number_parameters     980
_refine_ls_number_restraints     70
_refine_ls_R_factor_all          0.0980
_refine_ls_R_factor_gt           0.0586
_refine_ls_wR_factor_ref         0.1460
_refine_ls_wR_factor_gt          0.1311
_refine_ls_goodness_of_fit_ref   0.972
_refine_ls_restrained_S_all      1.006
_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
Ag1 Ag 0.84882(8) 1.10226(8) 0.42249(5) 0.0694(3) Uani 1 1 d . . .
Ag2 Ag 0.86733(8) 0.51478(8) 0.49694(5) 0.0700(3) Uani 1 1 d . . .
Ag3 Ag 0.40830(8) 0.90601(8) 0.53709(5) 0.0701(3) Uani 1 1 d . . .
Ag4 Ag 0.64275(8) 0.62144(8) 0.45894(5) 0.0700(3) Uani 1 1 d . . .
C1 C 0.8961(8) 0.9840(9) 0.5723(6) 0.056(3) Uani 1 1 d . . .
H1 H 0.9147 0.9382 0.5381 0.067 Uiso 1 1 calc R . .
C2 C 0.9035(7) 0.9636(8) 0.6506(6) 0.047(3) Uani 1 1 d . . .
H2 H 0.9269 0.9056 0.6680 0.056 Uiso 1 1 calc R . .
C3 C 0.8757(7) 1.0303(7) 0.7032(5) 0.035(2) Uani 1 1 d . . .
C4 C 0.8458(9) 1.1160(8) 0.6735(6) 0.055(3) Uani 1 1 d . . .
H4 H 0.8293 1.1633 0.7065 0.066 Uiso 1 1 calc R . .
C5 C 0.8406(10) 1.1312(8) 0.5950(7) 0.066(4) Uani 1 1 d . . .
H5 H 0.8199 1.1895 0.5764 0.080 Uiso 1 1 calc R . .
C6 C 0.8760(7) 1.0109(6) 0.7882(5) 0.034(2) Uani 1 1 d . . .
C7 C 0.7753(8) 0.2423(8) 1.3006(6) 0.045(3) Uani 1 1 d . . .
H7 H 0.7545 0.2720 1.3458 0.054 Uiso 1 1 calc R . .
C8 C 0.7532(8) 0.2851(7) 1.2306(5) 0.041(3) Uani 1 1 d . . .
H8 H 0.7194 0.3425 1.2291 0.049 Uiso 1 1 calc R . .
C9 C 0.7817(7) 0.2417(7) 1.1624(5) 0.033(2) Uani 1 1 d . . .
C10 C 0.8339(8) 0.1567(7) 1.1698(6) 0.045(3) Uani 1 1 d . . .
H10 H 0.8558 0.1252 1.1259 0.053 Uiso 1 1 calc R . .
C11 C 0.8531(8) 0.1196(7) 1.2427(6) 0.049(3) Uani 1 1 d . . .
H11 H 0.8877 0.0628 1.2466 0.059 Uiso 1 1 calc R . .
C12 C 0.7566(7) 0.2833(7) 1.0845(5) 0.034(2) Uani 1 1 d . . .
C13 C 0.6251(6) 0.6368(6) 1.0877(5) 0.0245(19) Uani 1 1 d . . .
C14 C 0.6210(6) 0.6333(6) 1.1743(5) 0.030(2) Uani 1 1 d . . .
C15 C 0.6102(8) 0.5560(8) 1.2199(6) 0.050(3) Uani 1 1 d . . .
H15 H 0.6002 0.5034 1.1965 0.060 Uiso 1 1 calc R . .
C16 C 0.6134(8) 0.5523(9) 1.2973(6) 0.053(3) Uani 1 1 d . . .
H16 H 0.6054 0.4977 1.3258 0.064 Uiso 1 1 calc R . .
C17 C 0.6368(9) 0.7044(9) 1.2921(7) 0.065(4) Uani 1 1 d . . .
H17 H 0.6456 0.7563 1.3170 0.078 Uiso 1 1 calc R . .
C18 C 0.6330(9) 0.7104(8) 1.2123(6) 0.054(3) Uani 1 1 d . . .
H18 H 0.6385 0.7658 1.1844 0.065 Uiso 1 1 calc R . .
C19 C 0.6846(6) 0.6305(7) 0.8265(5) 0.030(2) Uani 1 1 d . . .
C20 C 0.6763(6) 0.6254(6) 0.7398(5) 0.026(2) Uani 1 1 d . . .
C21 C 0.7157(8) 0.6884(7) 0.6867(6) 0.042(3) Uani 1 1 d . . .
H21 H 0.7470 0.7347 0.7040 0.050 Uiso 1 1 calc R . .
C22 C 0.7087(8) 0.6827(7) 0.6089(6) 0.047(3) Uani 1 1 d . . .
H22 H 0.7360 0.7253 0.5739 0.056 Uiso 1 1 calc R . .
C23 C 0.6281(8) 0.5577(8) 0.6312(6) 0.049(3) Uani 1 1 d . . .
H23 H 0.5973 0.5122 0.6121 0.059 Uiso 1 1 calc R . .
C24 C 0.6331(7) 0.5575(7) 0.7105(5) 0.040(2) Uani 1 1 d . . .
H24 H 0.6076 0.5121 0.7435 0.048 Uiso 1 1 calc R . .
C25 C 0.4438(7) 0.8573(6) 0.9073(5) 0.029(2) Uani 1 1 d . . .
C26 C 0.4359(7) 0.8715(7) 0.8207(5) 0.032(2) Uani 1 1 d . . .
C27 C 0.3819(8) 0.9438(7) 0.7885(6) 0.048(3) Uani 1 1 d . . .
H27 H 0.3491 0.9872 0.8201 0.058 Uiso 1 1 calc R . .
C28 C 0.3760(8) 0.9522(8) 0.7097(6) 0.052(3) Uani 1 1 d . . .
H28 H 0.3401 1.0028 0.6891 0.062 Uiso 1 1 calc R . .
C29 C 0.4715(8) 0.8207(8) 0.6939(6) 0.045(3) Uani 1 1 d . . .
H29 H 0.5021 0.7768 0.6615 0.054 Uiso 1 1 calc R . .
C30 C 0.4826(7) 0.8089(7) 0.7706(5) 0.039(2) Uani 1 1 d . . .
H30 H 0.5212 0.7592 0.7895 0.047 Uiso 1 1 calc R . .
C31 C 0.6259(7) 1.0024(7) 0.8302(5) 0.031(2) Uani 1 1 d . . .
C32 C 0.6191(7) 1.0253(6) 0.7431(5) 0.029(2) Uani 1 1 d . . .
C33 C 0.5839(8) 1.1110(7) 0.7170(6) 0.049(3) Uani 1 1 d . . .
H33 H 0.5648 1.1559 0.7520 0.059 Uiso 1 1 calc R . .
C34 C 0.5775(9) 1.1294(8) 0.6394(6) 0.060(3) Uani 1 1 d . . .
H34 H 0.5531 1.1873 0.6226 0.072 Uiso 1 1 calc R . .
C35 C 0.6388(9) 0.9858(9) 0.6133(6) 0.056(3) Uani 1 1 d . . .
H35 H 0.6584 0.9419 0.5775 0.067 Uiso 1 1 calc R . .
C36 C 0.6469(7) 0.9619(7) 0.6899(6) 0.042(3) Uani 1 1 d . . .
H36 H 0.6709 0.9034 0.7055 0.050 Uiso 1 1 calc R . .
C37 C 0.8040(7) 0.3323(7) 0.8414(6) 0.038(2) Uani 1 1 d . . .
C38 C 0.8175(7) 0.3776(6) 0.7625(5) 0.032(2) Uani 1 1 d . . .
C39 C 0.8694(7) 0.4523(6) 0.7490(5) 0.032(2) Uani 1 1 d . . .
H39 H 0.8948 0.4769 0.7897 0.038 Uiso 1 1 calc R . .
C40 C 0.8829(7) 0.4900(7) 0.6741(6) 0.039(2) Uani 1 1 d . . .
H40 H 0.9182 0.5402 0.6661 0.047 Uiso 1 1 calc R . .
C41 C 0.7984(9) 0.3864(9) 0.6262(6) 0.056(3) Uani 1 1 d . . .
H41 H 0.7746 0.3628 0.5842 0.067 Uiso 1 1 calc R . .
C42 C 0.7800(9) 0.3451(8) 0.6992(6) 0.052(3) Uani 1 1 d . . .
H42 H 0.7429 0.2961 0.7061 0.063 Uiso 1 1 calc R . .
C43 C 0.8895(9) 0.6296(8) 1.3412(6) 0.054(3) Uani 1 1 d . . .
H43 H 0.9001 0.6760 1.3722 0.065 Uiso 1 1 calc R . .
C44 C 0.8920(8) 0.6472(7) 1.2632(5) 0.044(3) Uani 1 1 d . . .
H44 H 0.9044 0.7046 1.2419 0.053 Uiso 1 1 calc R . .
C45 C 0.8764(6) 0.5808(6) 1.2158(5) 0.028(2) Uani 1 1 d . . .
C46 C 0.8594(8) 0.4962(8) 1.2495(6) 0.047(3) Uani 1 1 d . . .
H46 H 0.8486 0.4491 1.2195 0.056 Uiso 1 1 calc R . .
C47 C 0.8591(9) 0.4837(8) 1.3291(6) 0.053(3) Uani 1 1 d . . .
H47 H 0.8488 0.4264 1.3517 0.064 Uiso 1 1 calc R . .
C48 C 0.8783(7) 0.5958(7) 1.1282(5) 0.033(2) Uani 1 1 d . . .
C49 C 0.8171(7) 0.9647(6) 1.0120(5) 0.033(2) Uani 1 1 d . A .
C50 C 0.8595(8) 0.8845(7) 1.0569(7) 0.053(3) Uani 1 1 d D . .
H50B H 0.8429 0.9018 1.1106 0.064 Uiso 0.428(15) 1 calc PR A 2
H50A H 0.9181 0.8661 1.0241 0.064 Uiso 0.572(15) 1 d PR A 1
C51A C 0.8970(18) 0.9013(15) 1.1305(10) 0.072(6) Uani 0.572(15) 1 d PD A 1
H51A H 0.9330 0.8471 1.1493 0.108 Uiso 0.572(15) 1 calc PR A 1
H51B H 0.8444 0.9179 1.1681 0.108 Uiso 0.572(15) 1 calc PR A 1
H51C H 0.9379 0.9498 1.1221 0.108 Uiso 0.572(15) 1 calc PR A 1
C51B C 0.9644(12) 0.8649(19) 1.0546(18) 0.072(6) Uani 0.428(15) 1 d PD A 2
H51D H 0.9800 0.8017 1.0686 0.108 Uiso 0.428(15) 1 calc PR A 2
H51E H 0.9890 0.9014 1.0906 0.108 Uiso 0.428(15) 1 calc PR A 2
H51F H 0.9927 0.8789 1.0031 0.108 Uiso 0.428(15) 1 calc PR A 2
C52 C 0.8667(7) 0.6485(6) 0.9167(5) 0.033(2) Uani 1 1 d . . .
C53A C 0.9158(10) 0.7284(9) 0.8769(8) 0.027(3) Uani 0.627(11) 1 d PDU A 1
H53A H 0.9684 0.7431 0.9057 0.033 Uiso 0.627(11) 1 calc PR A 1
C54A C 0.9498(13) 0.7112(12) 0.7951(8) 0.046(4) Uani 0.627(11) 1 d PDU A 1
H54A H 0.8988 0.6905 0.7698 0.069 Uiso 0.627(11) 1 calc PR A 1
H54B H 1.0034 0.6655 0.7937 0.069 Uiso 0.627(11) 1 calc PR A 1
H54C H 0.9692 0.7664 0.7688 0.069 Uiso 0.627(11) 1 calc PR A 1
C53B C 0.8870(14) 0.7170(11) 0.8485(16) 0.027(3) Uani 0.373(11) 1 d PDU A 2
H53B H 0.8595 0.7004 0.8020 0.033 Uiso 0.373(11) 1 calc PR A 2
C54B C 0.9909(15) 0.725(2) 0.8324(18) 0.046(4) Uani 0.373(11) 1 d PDU A 2
H54D H 1.0183 0.6786 0.7980 0.069 Uiso 0.373(11) 1 calc PR A 2
H54E H 1.0209 0.7165 0.8802 0.069 Uiso 0.373(11) 1 calc PR A 2
H54F H 1.0011 0.7836 0.8085 0.069 Uiso 0.373(11) 1 calc PR A 2
Cl1 Cl 0.3826(2) 0.6510(2) 0.52119(18) 0.0665(9) Uani 1 1 d D . .
Cl2 Cl 0.9972(3) 0.7163(3) 0.5450(2) 0.0821(11) Uani 1 1 d D . .
N1 N 0.8637(7) 1.0662(7) 0.5428(5) 0.053(2) Uani 1 1 d . . .
N2 N 0.8240(6) 0.1621(6) 1.3074(5) 0.045(2) Uani 1 1 d . . .
N3 N 0.6282(7) 0.6263(7) 1.3348(5) 0.055(3) Uani 1 1 d . . .
N4 N 0.6638(7) 0.6178(7) 0.5818(5) 0.047(2) Uani 1 1 d . . .
N5 N 0.4194(7) 0.8913(6) 0.6612(5) 0.047(2) Uani 1 1 d . . .
N6 N 0.6046(7) 1.0679(7) 0.5861(5) 0.050(2) Uani 1 1 d . . .
N7 N 0.8492(7) 0.4594(6) 0.6129(5) 0.049(2) Uani 1 1 d . . .
N8 N 0.8725(7) 0.5484(7) 1.3754(5) 0.051(2) Uani 1 1 d . . .
O1 O 0.4370(7) 0.6569(8) 0.5916(5) 0.136(5) Uani 1 1 d D . .
O2 O 0.3228(7) 0.7425(5) 0.5066(6) 0.110(4) Uani 1 1 d D . .
O3 O 0.3109(7) 0.5791(6) 0.5407(6) 0.117(4) Uani 1 1 d D . .
O4 O 0.4455(7) 0.6265(9) 0.4505(6) 0.174(7) Uani 1 1 d D . .
O5 O 0.9730(8) 0.6205(6) 0.5375(7) 0.133(5) Uani 1 1 d D . .
O6 O 0.9754(10) 0.7736(9) 0.4698(7) 0.195(8) Uani 1 1 d D . .
O7 O 0.9394(11) 0.7579(11) 0.6139(8) 0.287(14) Uani 1 1 d D . .
O8 O 1.1045(6) 0.7138(9) 0.5527(8) 0.168(7) Uani 1 1 d D . .
O13 O 0.7282(5) 0.3669(4) 1.0804(4) 0.0374(16) Uani 1 1 d . . .
O14 O 0.7629(6) 0.2310(5) 1.0300(4) 0.0489(19) Uani 1 1 d . . .
O15 O 0.9244(5) 0.9405(5) 0.8119(4) 0.0420(17) Uani 1 1 d . . .
O16 O 0.8261(5) 1.0665(5) 0.8311(4) 0.0503(19) Uani 1 1 d . . .
O17 O 0.6362(5) 0.5618(4) 1.0555(3) 0.0351(16) Uani 1 1 d . . .
O18 O 0.6153(5) 0.7141(4) 1.0528(3) 0.0359(16) Uani 1 1 d . . .
O19 O 0.7056(5) 0.5581(4) 0.8636(3) 0.0341(15) Uani 1 1 d . . .
O20 O 0.6678(5) 0.7091(4) 0.8514(3) 0.0355(16) Uani 1 1 d . . .
O21 O 0.5064(4) 0.8009(4) 0.9322(3) 0.0344(15) Uani 1 1 d . . .
O22 O 0.3803(4) 0.9046(4) 0.9516(3) 0.0347(15) Uani 1 1 d . . .
O23 O 0.6435(5) 0.9196(4) 0.8490(3) 0.0360(16) Uani 1 1 d . . .
O24 O 0.6129(4) 1.0662(4) 0.8741(3) 0.0342(15) Uani 1 1 d . . .
O25 O 0.7790(6) 0.2527(5) 0.8463(4) 0.057(2) Uani 1 1 d . . .
O26 O 0.8160(5) 0.3764(4) 0.8980(3) 0.0367(16) Uani 1 1 d . . .
O27 O 0.8415(5) 0.5390(5) 1.0938(4) 0.0411(17) Uani 1 1 d . . .
O28 O 0.9197(5) 0.6634(5) 1.0977(4) 0.0383(16) Uani 1 1 d . . .
O29 O 0.8482(5) 1.0419(5) 1.0146(4) 0.0474(19) Uani 1 1 d . . .
O30 O 0.7507(4) 0.9550(4) 0.9704(3) 0.0304(15) Uani 1 1 d . . .
O31 O 0.8035(5) 0.8105(4) 1.0531(4) 0.0380(16) Uani 1 1 d . A .
O32 O 0.7911(4) 0.6651(4) 0.9622(3) 0.0275(14) Uani 1 1 d . A .
O33 O 0.9059(5) 0.5694(4) 0.9114(4) 0.0375(16) Uani 1 1 d . A .
O34 O 0.8391(5) 0.8035(4) 0.8759(4) 0.0478(19) Uani 1 1 d D . .
H34A H 0.8706 0.8391 0.8481 0.072 Uiso 1 1 d RD A .
O1W O 0.5962(5) 1.2477(4) 0.9237(4) 0.0444(18) Uani 1 1 d D . .
H1WA H 0.5989 1.3026 0.9263 0.067 Uiso 1 1 d RD A .
H1WB H 0.5484 1.2322 0.9509 0.067 Uiso 1 1 d RD . .
O2W O 0.5812(5) 0.9108(5) 1.0442(4) 0.0467(19) Uani 1 1 d D . .
H2WA H 0.5838 0.9661 1.0409 0.070 Uiso 1 1 d RD A .
H2WB H 0.5260 0.8985 1.0572 0.070 Uiso 1 1 d RD . .
O3W O 0.6094(5) 0.4326(4) 0.9475(4) 0.0392(16) Uani 1 1 d D . .
H3WA H 0.5730 0.4088 0.9803 0.059 Uiso 1 1 d RD A .
H3WB H 0.5809 0.4646 0.9150 0.059 Uiso 1 1 d RD . .
O4W O 0.9280(4) 0.3990(5) 1.0109(4) 0.0393(16) Uani 1 1 d D . .
H4WA H 0.9548 0.4340 1.0347 0.059 Uiso 1 1 d RD A .
H4WB H 0.9675 0.3694 0.9821 0.059 Uiso 1 1 d RD . .
O5W O 0.4836(5) 0.6051(5) 0.9027(4) 0.052(2) Uani 1 1 d D . .
H5WA H 0.5036 0.6508 0.9172 0.079 Uiso 1 1 d RD . .
H5WB H 0.4272 0.6139 0.8939 0.079 Uiso 1 1 d RD . .
O6W O 0.5955(11) 0.8184(12) 0.4840(9) 0.095(6) Uani 0.627(11) 1 d PD . .
H6WA H 0.6025 0.8671 0.4582 0.143 Uiso 0.627(11) 1 d PRD . .
H6WB H 0.5395 0.8058 0.4825 0.143 Uiso 0.627(11) 1 d PRD . .
Sm1 Sm 0.68443(3) 0.80908(3) 0.95218(3) 0.02546(13) Uani 1 1 d . A .
Sm2 Sm 0.73351(3) 1.13157(3) 0.93580(3) 0.02768(13) Uani 1 1 d . . .
Sm3 Sm 0.77354(3) 0.49013(3) 0.98442(3) 0.02697(13) Uani 1 1 d . A .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.141(9) . ?
Ag1 N2 2.173(8) 1_564 ?
Ag2 N7 2.121(8) . ?
Ag2 N8 2.127(8) 1_554 ?
Ag2 O5 2.441(8) . ?
Ag3 N6 2.165(8) 2_676 ?
Ag3 N5 2.165(8) . ?
Ag4 N4 2.173(8) . ?
Ag4 N3 2.175(8) 1_554 ?
C1 N1 1.342(14) . ?
C1 C2 1.381(14) . ?
C1 H1 0.9300 . ?
C2 C3 1.390(13) . ?
C2 H2 0.9300 . ?
C3 C4 1.378(14) . ?
C3 C6 1.480(13) . ?
C4 C5 1.372(15) . ?
C4 H4 0.9300 . ?
C5 N1 1.358(14) . ?
C5 H5 0.9300 . ?
C6 O15 1.253(11) . ?
C6 O16 1.259(10) . ?
C7 N2 1.314(14) . ?
C7 C8 1.379(14) . ?
C7 H7 0.9300 . ?
C8 C9 1.387(12) . ?
C8 H8 0.9300 . ?
C9 C10 1.396(14) . ?
C9 C12 1.505(13) . ?
C10 C11 1.383(14) . ?
C10 H10 0.9300 . ?
C11 N2 1.331(12) . ?
C11 H11 0.9300 . ?
C12 O14 1.250(11) . ?
C12 O13 1.261(11) . ?
C13 O18 1.260(10) . ?
C13 O17 1.264(10) . ?
C13 C14 1.494(11) . ?
C14 C15 1.360(14) . ?
C14 C18 1.386(13) . ?
C15 C16 1.343(13) . ?
C15 H15 0.9300 . ?
C16 N3 1.352(14) . ?
C16 H16 0.9300 . ?
C17 N3 1.340(15) . ?
C17 C18 1.386(14) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 O19 1.237(11) . ?
C19 O20 1.259(11) . ?
C19 C20 1.525(12) . ?
C20 C24 1.373(13) . ?
C20 C21 1.384(13) . ?
C21 C22 1.370(13) . ?
C21 H21 0.9300 . ?
C22 N4 1.333(13) . ?
C22 H22 0.9300 . ?
C23 N4 1.297(14) . ?
C23 C24 1.383(13) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 O21 1.239(11) . ?
C25 O22 1.300(10) . ?
C25 C26 1.514(12) . ?
C26 C27 1.368(14) . ?
C26 C30 1.385(12) . ?
C27 C28 1.373(13) . ?
C27 H27 0.9300 . ?
C28 N5 1.335(13) . ?
C28 H28 0.9300 . ?
C29 N5 1.341(14) . ?
C29 C30 1.350(13) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 O24 1.239(10) . ?
C31 O23 1.253(11) . ?
C31 C32 1.534(12) . ?
C32 C36 1.361(13) . ?
C32 C33 1.379(14) . ?
C33 C34 1.364(14) . ?
C33 H33 0.9300 . ?
C34 N6 1.341(14) . ?
C34 H34 0.9300 . ?
C35 N6 1.334(14) . ?
C35 C36 1.363(13) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 O26 1.245(11) . ?
C37 O25 1.259(12) . ?
C37 C38 1.486(13) . ?
C38 C39 1.380(13) . ?
C38 C42 1.392(14) . ?
C39 C40 1.383(12) . ?
C39 H39 0.9300 . ?
C40 N7 1.324(13) . ?
C40 H40 0.9300 . ?
C41 N7 1.351(15) . ?
C41 C42 1.382(15) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C43 N8 1.339(14) . ?
C43 C44 1.356(14) . ?
C43 H43 0.9300 . ?
C44 C45 1.368(13) . ?
C44 H44 0.9300 . ?
C45 C46 1.380(14) . ?
C45 C48 1.517(12) . ?
C46 C47 1.378(13) . ?
C46 H46 0.9300 . ?
C47 N8 1.328(13) . ?
C47 H47 0.9300 . ?
C48 O27 1.242(11) . ?
C48 O28 1.268(11) . ?
C49 O30 1.258(11) . ?
C49 O29 1.269(11) . ?
C49 C50 1.482(14) . ?
C49 Sm2 2.918(9) . ?
C50 O31 1.420(12) . ?
C50 C51A 1.468(13) . ?
C50 C51B 1.471(14) . ?
C50 H50B 0.9800 . ?
C50 H50A 0.9800 . ?
C51A H51A 0.9600 . ?
C51A H51B 0.9600 . ?
C51A H51C 0.9600 . ?
C51B H50A 0.8754 . ?
C51B H51D 0.9600 . ?
C51B H51E 0.9600 . ?
C51B H51F 0.9600 . ?
C52 O33 1.248(11) . ?
C52 O32 1.273(10) . ?
C52 C53A 1.523(18) . ?
C52 C53B 1.53(3) . ?
C52 Sm3 2.923(9) . ?
C53A O34 1.470(12) . ?
C53A C54A 1.480(12) . ?
C53A H53A 0.9800 . ?
C54A H54A 0.9600 . ?
C54A H54B 0.9600 . ?
C54A H54C 0.9600 . ?
C53B O34 1.471(14) . ?
C53B C54B 1.474(13) . ?
C53B H53B 0.9800 . ?
C54B H54D 0.9600 . ?
C54B H54E 0.9600 . ?
C54B H54F 0.9600 . ?
Cl1 O4 1.483(6) . ?
Cl1 O1 1.512(7) . ?
Cl1 O3 1.537(6) . ?
Cl1 O2 1.540(7) . ?
Cl2 O7 1.507(7) . ?
Cl2 O5 1.509(7) . ?
Cl2 O8 1.522(7) . ?
Cl2 O6 1.547(7) . ?
N2 Ag1 2.173(8) 1_546 ?
N3 Ag4 2.175(8) 1_556 ?
N6 Ag3 2.165(8) 2_676 ?
N8 Ag2 2.127(8) 1_556 ?
O13 Sm3 2.477(6) . ?
O14 Sm2 2.358(6) 1_545 ?
O16 Sm2 2.331(7) . ?
O17 Sm3 2.381(6) . ?
O18 Sm1 2.364(6) . ?
O19 Sm3 2.493(6) . ?
O20 Sm1 2.403(6) . ?
O21 Sm1 2.574(6) . ?
O22 Sm2 2.467(6) 2_677 ?
O23 Sm1 2.415(6) . ?
O24 Sm2 2.402(6) . ?
O25 Sm2 2.388(7) 1_545 ?
O26 Sm3 2.321(6) . ?
O27 Sm3 2.385(6) . ?
O29 Sm2 2.445(7) . ?
O30 Sm1 2.485(6) . ?
O30 Sm2 2.636(6) . ?
O31 Sm1 2.535(6) . ?
O32 Sm1 2.486(6) . ?
O32 Sm3 2.627(6) . ?
O33 Sm3 2.496(6) . ?
O34 Sm1 2.430(6) . ?
O34 H34A 0.8235 . ?
O1W Sm2 2.467(6) . ?
O1W H1WA 0.8222 . ?
O1W H1WB 0.8263 . ?
O2W Sm1 2.519(6) . ?
O2W H2WA 0.8205 . ?
O2W H2WB 0.8212 . ?
O3W Sm3 2.684(6) . ?
O3W H3WA 0.8130 . ?
O3W H3WB 0.8199 . ?
O4W Sm3 2.503(6) . ?
O4W H4WA 0.8223 . ?
O4W H4WB 0.8221 . ?
O5W H5WA 0.8216 . ?
O5W H5WB 0.8174 . ?
O6W H6WA 0.8326 . ?
O6W H6WB 0.8300 . ?
Sm2 O14 2.358(6) 1_565 ?
Sm2 O25 2.388(7) 1_565 ?
Sm2 O22 2.467(6) 2_677 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N2 170.0(4) . 1_564 ?
N7 Ag2 N8 169.0(4) . 1_554 ?
N7 Ag2 O5 89.7(4) . . ?
N8 Ag2 O5 101.0(4) 1_554 . ?
N6 Ag3 N5 175.5(4) 2_676 . ?
N4 Ag4 N3 177.5(4) . 1_554 ?
N1 C1 C2 123.7(10) . . ?
N1 C1 H1 118.2 . . ?
C2 C1 H1 118.2 . . ?
C1 C2 C3 119.6(10) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 H2 120.2 . . ?
C4 C3 C2 117.4(9) . . ?
C4 C3 C6 120.6(9) . . ?
C2 C3 C6 122.0(9) . . ?
C5 C4 C3 119.7(10) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
N1 C5 C4 123.9(11) . . ?
N1 C5 H5 118.0 . . ?
C4 C5 H5 118.0 . . ?
O15 C6 O16 125.0(9) . . ?
O15 C6 C3 118.2(8) . . ?
O16 C6 C3 116.8(9) . . ?
N2 C7 C8 123.9(10) . . ?
N2 C7 H7 118.0 . . ?
C8 C7 H7 118.0 . . ?
C7 C8 C9 119.3(10) . . ?
C7 C8 H8 120.3 . . ?
C9 C8 H8 120.3 . . ?
C8 C9 C10 116.6(9) . . ?
C8 C9 C12 121.8(9) . . ?
C10 C9 C12 121.6(8) . . ?
C11 C10 C9 119.8(9) . . ?
C11 C10 H10 120.1 . . ?
C9 C10 H10 120.1 . . ?
N2 C11 C10 122.5(10) . . ?
N2 C11 H11 118.8 . . ?
C10 C11 H11 118.8 . . ?
O14 C12 O13 125.8(9) . . ?
O14 C12 C9 116.9(9) . . ?
O13 C12 C9 117.3(8) . . ?
O18 C13 O17 125.4(8) . . ?
O18 C13 C14 117.4(8) . . ?
O17 C13 C14 117.1(8) . . ?
C15 C14 C18 116.4(9) . . ?
C15 C14 C13 123.4(9) . . ?
C18 C14 C13 120.1(9) . . ?
C16 C15 C14 122.8(11) . . ?
C16 C15 H15 118.6 . . ?
C14 C15 H15 118.6 . . ?
C15 C16 N3 121.5(11) . . ?
C15 C16 H16 119.3 . . ?
N3 C16 H16 119.3 . . ?
N3 C17 C18 122.3(11) . . ?
N3 C17 H17 118.8 . . ?
C18 C17 H17 118.8 . . ?
C14 C18 C17 119.4(11) . . ?
C14 C18 H18 120.3 . . ?
C17 C18 H18 120.3 . . ?
O19 C19 O20 128.2(8) . . ?
O19 C19 C20 117.0(8) . . ?
O20 C19 C20 114.8(8) . . ?
C24 C20 C21 117.0(8) . . ?
C24 C20 C19 122.3(8) . . ?
C21 C20 C19 120.6(8) . . ?
C22 C21 C20 120.2(10) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
N4 C22 C21 121.8(10) . . ?
N4 C22 H22 119.1 . . ?
C21 C22 H22 119.1 . . ?
N4 C23 C24 123.7(10) . . ?
N4 C23 H23 118.1 . . ?
C24 C23 H23 118.1 . . ?
C20 C24 C23 118.9(10) . . ?
C20 C24 H24 120.5 . . ?
C23 C24 H24 120.5 . . ?
O21 C25 O22 123.8(8) . . ?
O21 C25 C26 119.9(8) . . ?
O22 C25 C26 116.2(8) . . ?
C27 C26 C30 117.1(9) . . ?
C27 C26 C25 122.7(9) . . ?
C30 C26 C25 120.1(9) . . ?
C26 C27 C28 120.2(10) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 119.9 . . ?
N5 C28 C27 123.0(10) . . ?
N5 C28 H28 118.5 . . ?
C27 C28 H28 118.5 . . ?
N5 C29 C30 124.5(10) . . ?
N5 C29 H29 117.8 . . ?
C30 C29 H29 117.8 . . ?
C29 C30 C26 119.2(10) . . ?
C29 C30 H30 120.4 . . ?
C26 C30 H30 120.4 . . ?
O24 C31 O23 127.1(9) . . ?
O24 C31 C32 117.6(8) . . ?
O23 C31 C32 115.3(8) . . ?
C36 C32 C33 118.4(9) . . ?
C36 C32 C31 121.2(9) . . ?
C33 C32 C31 120.4(8) . . ?
C34 C33 C32 119.3(10) . . ?
C34 C33 H33 120.4 . . ?
C32 C33 H33 120.4 . . ?
N6 C34 C33 123.1(10) . . ?
N6 C34 H34 118.4 . . ?
C33 C34 H34 118.4 . . ?
N6 C35 C36 124.4(11) . . ?
N6 C35 H35 117.8 . . ?
C36 C35 H35 117.8 . . ?
C32 C36 C35 118.7(10) . . ?
C32 C36 H36 120.6 . . ?
C35 C36 H36 120.6 . . ?
O26 C37 O25 124.6(9) . . ?
O26 C37 C38 117.9(9) . . ?
O25 C37 C38 117.4(8) . . ?
C39 C38 C42 117.6(9) . . ?
C39 C38 C37 121.1(8) . . ?
C42 C38 C37 121.3(9) . . ?
C38 C39 C40 118.9(9) . . ?
C38 C39 H39 120.5 . . ?
C40 C39 H39 120.5 . . ?
N7 C40 C39 124.5(10) . . ?
N7 C40 H40 117.8 . . ?
C39 C40 H40 117.8 . . ?
N7 C41 C42 123.0(10) . . ?
N7 C41 H41 118.5 . . ?
C42 C41 H41 118.5 . . ?
C41 C42 C38 119.4(11) . . ?
C41 C42 H42 120.3 . . ?
C38 C42 H42 120.3 . . ?
N8 C43 C44 122.8(10) . . ?
N8 C43 H43 118.6 . . ?
C44 C43 H43 118.6 . . ?
C43 C44 C45 120.2(10) . . ?
C43 C44 H44 119.9 . . ?
C45 C44 H44 119.9 . . ?
C44 C45 C46 118.2(9) . . ?
C44 C45 C48 122.9(9) . . ?
C46 C45 C48 118.9(8) . . ?
C47 C46 C45 118.0(10) . . ?
C47 C46 H46 121.0 . . ?
C45 C46 H46 121.0 . . ?
N8 C47 C46 124.1(11) . . ?
N8 C47 H47 118.0 . . ?
C46 C47 H47 118.0 . . ?
O27 C48 O28 126.9(8) . . ?
O27 C48 C45 116.4(9) . . ?
O28 C48 C45 116.6(8) . . ?
O30 C49 O29 120.4(9) . . ?
O30 C49 C50 119.1(9) . . ?
O29 C49 C50 120.5(8) . . ?
O30 C49 Sm2 64.6(5) . . ?
O29 C49 Sm2 56.0(5) . . ?
C50 C49 Sm2 175.0(7) . . ?
O31 C50 C51A 119.9(12) . . ?
O31 C50 C51B 118.0(14) . . ?
C51A C50 C51B 67.5(15) . . ?
O31 C50 C49 109.3(8) . . ?
C51A C50 C49 117.0(12) . . ?
C51B C50 C49 120.1(14) . . ?
O31 C50 H50B 101.9 . . ?
C51B C50 H50B 101.9 . . ?
C49 C50 H50B 101.9 . . ?
O31 C50 H50A 102.5 . . ?
C51A C50 H50A 102.6 . . ?
C49 C50 H50A 102.6 . . ?
H50B C50 H50A 137.1 . . ?
C50 C51A H51A 109.5 . . ?
C50 C51A H51B 109.5 . . ?
C50 C51A H51C 109.5 . . ?
C50 C51B H51D 109.5 . . ?
C50 C51B H51E 109.5 . . ?
H51D C51B H51E 109.5 . . ?
C50 C51B H51F 109.5 . . ?
H51D C51B H51F 109.5 . . ?
H51E C51B H51F 109.5 . . ?
O33 C52 O32 121.0(9) . . ?
O33 C52 C53A 120.1(9) . . ?
O32 C52 C53A 118.4(8) . . ?
O33 C52 C53B 117.4(9) . . ?
O32 C52 C53B 117.8(9) . . ?
O33 C52 Sm3 57.9(5) . . ?
O32 C52 Sm3 64.0(5) . . ?
C53A C52 Sm3 176.6(7) . . ?
C53B C52 Sm3 150.6(10) . . ?
O34 C53A C54A 107.4(11) . . ?
O34 C53A C52 104.2(9) . . ?
C54A C53A C52 111.4(13) . . ?
O34 C53A H53A 111.2 . . ?
C54A C53A H53A 111.2 . . ?
C52 C53A H53A 111.2 . . ?
O34 C53B C54B 109.6(17) . . ?
O34 C53B C52 103.8(14) . . ?
C54B C53B C52 111(2) . . ?
O34 C53B H53B 110.7 . . ?
C54B C53B H53B 110.7 . . ?
C52 C53B H53B 110.7 . . ?
C53B C54B H54D 109.5 . . ?
C53B C54B H54E 109.5 . . ?
H54D C54B H54E 109.5 . . ?
C53B C54B H54F 109.5 . . ?
H54D C54B H54F 109.5 . . ?
H54E C54B H54F 109.5 . . ?
O4 Cl1 O1 113.4(6) . . ?
O4 Cl1 O3 109.3(5) . . ?
O1 Cl1 O3 108.0(5) . . ?
O4 Cl1 O2 110.5(6) . . ?
O1 Cl1 O2 108.7(5) . . ?
O3 Cl1 O2 106.8(5) . . ?
O7 Cl2 O5 110.7(6) . . ?
O7 Cl2 O8 111.1(6) . . ?
O5 Cl2 O8 108.4(6) . . ?
O7 Cl2 O6 109.9(7) . . ?
O5 Cl2 O6 108.8(6) . . ?
O8 Cl2 O6 107.9(6) . . ?
C1 N1 C5 115.7(9) . . ?
C1 N1 Ag1 125.7(7) . . ?
C5 N1 Ag1 118.6(8) . . ?
C7 N2 C11 117.9(9) . . ?
C7 N2 Ag1 119.3(7) . 1_546 ?
C11 N2 Ag1 122.8(7) . 1_546 ?
C17 N3 C16 117.5(9) . . ?
C17 N3 Ag4 119.8(8) . 1_556 ?
C16 N3 Ag4 122.7(8) . 1_556 ?
C23 N4 C22 118.3(9) . . ?
C23 N4 Ag4 121.9(8) . . ?
C22 N4 Ag4 119.6(7) . . ?
C28 N5 C29 115.9(9) . . ?
C28 N5 Ag3 122.3(7) . . ?
C29 N5 Ag3 121.8(7) . . ?
C35 N6 C34 116.0(9) . . ?
C35 N6 Ag3 120.0(7) . 2_676 ?
C34 N6 Ag3 123.9(7) . 2_676 ?
C40 N7 C41 116.5(9) . . ?
C40 N7 Ag2 126.1(8) . . ?
C41 N7 Ag2 117.4(7) . . ?
C47 N8 C43 116.7(9) . . ?
C47 N8 Ag2 117.9(8) . 1_556 ?
C43 N8 Ag2 125.4(8) . 1_556 ?
Cl2 O5 Ag2 150.4(7) . . ?
C12 O13 Sm3 130.9(6) . . ?
C12 O14 Sm2 165.7(7) . 1_545 ?
C6 O16 Sm2 163.1(7) . . ?
C13 O17 Sm3 130.1(6) . . ?
C13 O18 Sm1 143.7(6) . . ?
C19 O19 Sm3 144.1(6) . . ?
C19 O20 Sm1 147.5(6) . . ?
C25 O21 Sm1 132.8(6) . . ?
C25 O22 Sm2 134.9(6) . 2_677 ?
C31 O23 Sm1 145.7(6) . . ?
C31 O24 Sm2 126.7(6) . . ?
C37 O25 Sm2 143.7(6) . 1_545 ?
C37 O26 Sm3 153.7(6) . . ?
C48 O27 Sm3 152.7(7) . . ?
C49 O29 Sm2 98.6(5) . . ?
C49 O30 Sm1 125.6(6) . . ?
C49 O30 Sm2 89.8(5) . . ?
Sm1 O30 Sm2 144.5(3) . . ?
C50 O31 Sm1 122.0(6) . . ?
C52 O32 Sm1 123.1(6) . . ?
C52 O32 Sm3 90.2(5) . . ?
Sm1 O32 Sm3 137.9(2) . . ?
C52 O33 Sm3 97.0(6) . . ?
C53A O34 Sm1 126.5(7) . . ?
C53B O34 Sm1 121.0(9) . . ?
C53A O34 H34A 95.8 . . ?
C53B O34 H34A 99.3 . . ?
Sm1 O34 H34A 137.2 . . ?
Sm2 O1W H1WA 124.5 . . ?
Sm2 O1W H1WB 110.5 . . ?
H1WA O1W H1WB 109.2 . . ?
Sm1 O2W H2WA 121.0 . . ?
Sm1 O2W H2WB 118.0 . . ?
H2WA O2W H2WB 110.6 . . ?
Sm3 O3W H3WA 121.1 . . ?
Sm3 O3W H3WB 116.0 . . ?
H3WA O3W H3WB 112.6 . . ?
Sm3 O4W H4WA 102.6 . . ?
Sm3 O4W H4WB 130.9 . . ?
H4WA O4W H4WB 110.4 . . ?
H5WA O5W H5WB 111.9 . . ?
H6WA O6W H6WB 108.7 . . ?
O18 Sm1 O20 94.5(2) . . ?
O18 Sm1 O23 142.3(2) . . ?
O20 Sm1 O23 80.1(2) . . ?
O18 Sm1 O34 134.1(2) . . ?
O20 Sm1 O34 76.1(2) . . ?
O23 Sm1 O34 81.1(2) . . ?
O18 Sm1 O30 125.3(2) . . ?
O20 Sm1 O30 140.2(2) . . ?
O23 Sm1 O30 69.8(2) . . ?
O34 Sm1 O30 74.1(2) . . ?
O18 Sm1 O32 72.0(2) . . ?
O20 Sm1 O32 67.4(2) . . ?
O23 Sm1 O32 135.6(2) . . ?
O34 Sm1 O32 62.8(2) . . ?
O30 Sm1 O32 118.9(2) . . ?
O18 Sm1 O2W 72.8(2) . . ?
O20 Sm1 O2W 139.6(2) . . ?
O23 Sm1 O2W 87.4(2) . . ?
O34 Sm1 O2W 139.7(2) . . ?
O30 Sm1 O2W 65.6(2) . . ?
O32 Sm1 O2W 136.9(2) . . ?
O18 Sm1 O31 79.3(2) . . ?
O20 Sm1 O31 133.7(2) . . ?
O23 Sm1 O31 130.5(2) . . ?
O34 Sm1 O31 76.3(2) . . ?
O30 Sm1 O31 61.9(2) . . ?
O32 Sm1 O31 67.15(19) . . ?
O2W Sm1 O31 82.6(2) . . ?
O18 Sm1 O21 70.9(2) . . ?
O20 Sm1 O21 69.0(2) . . ?
O23 Sm1 O21 72.4(2) . . ?
O34 Sm1 O21 139.0(2) . . ?
O30 Sm1 O21 122.2(2) . . ?
O32 Sm1 O21 118.8(2) . . ?
O2W Sm1 O21 70.6(2) . . ?
O31 Sm1 O21 144.4(2) . . ?
O16 Sm2 O14 134.2(3) . 1_565 ?
O16 Sm2 O25 72.6(2) . 1_565 ?
O14 Sm2 O25 83.6(2) 1_565 1_565 ?
O16 Sm2 O24 79.2(2) . . ?
O14 Sm2 O24 145.6(2) 1_565 . ?
O25 Sm2 O24 103.8(2) 1_565 . ?
O16 Sm2 O29 84.6(3) . . ?
O14 Sm2 O29 75.8(2) 1_565 . ?
O25 Sm2 O29 122.3(3) 1_565 . ?
O24 Sm2 O29 123.2(2) . . ?
O16 Sm2 O22 142.4(2) . 2_677 ?
O14 Sm2 O22 75.8(2) 1_565 2_677 ?
O25 Sm2 O22 142.7(2) 1_565 2_677 ?
O24 Sm2 O22 78.8(2) . 2_677 ?
O29 Sm2 O22 82.4(2) . 2_677 ?
O16 Sm2 O1W 124.5(2) . . ?
O14 Sm2 O1W 79.8(2) 1_565 . ?
O25 Sm2 O1W 70.0(3) 1_565 . ?
O24 Sm2 O1W 71.8(2) . . ?
O29 Sm2 O1W 150.6(2) . . ?
O22 Sm2 O1W 75.9(2) 2_677 . ?
O16 Sm2 O30 74.1(2) . . ?
O14 Sm2 O30 118.9(2) 1_565 . ?
O25 Sm2 O30 146.5(2) 1_565 . ?
O24 Sm2 O30 72.3(2) . . ?
O29 Sm2 O30 51.0(2) . . ?
O22 Sm2 O30 70.33(19) 2_677 . ?
O1W Sm2 O30 134.4(2) . . ?
O16 Sm2 C49 79.4(2) . . ?
O14 Sm2 C49 96.9(2) 1_565 . ?
O25 Sm2 C49 140.3(3) 1_565 . ?
O24 Sm2 C49 97.8(2) . . ?
O29 Sm2 C49 25.5(2) . . ?
O22 Sm2 C49 73.8(2) 2_677 . ?
O1W Sm2 C49 149.4(3) . . ?
O30 Sm2 C49 25.5(2) . . ?
O26 Sm3 O17 140.8(2) . . ?
O26 Sm3 O27 134.9(2) . . ?
O17 Sm3 O27 78.1(2) . . ?
O26 Sm3 O13 86.2(2) . . ?
O17 Sm3 O13 78.1(2) . . ?
O27 Sm3 O13 81.4(2) . . ?
O26 Sm3 O19 77.7(2) . . ?
O17 Sm3 O19 87.6(2) . . ?
O27 Sm3 O19 138.6(2) . . ?
O13 Sm3 O19 133.6(2) . . ?
O26 Sm3 O33 85.4(2) . . ?
O17 Sm3 O33 125.7(2) . . ?
O27 Sm3 O33 82.4(2) . . ?
O13 Sm3 O33 147.2(2) . . ?
O19 Sm3 O33 74.8(2) . . ?
O26 Sm3 O4W 67.4(2) . . ?
O17 Sm3 O4W 138.6(2) . . ?
O27 Sm3 O4W 67.5(2) . . ?
O13 Sm3 O4W 74.6(2) . . ?
O19 Sm3 O4W 133.6(2) . . ?
O33 Sm3 O4W 72.8(2) . . ?
O26 Sm3 O32 128.5(2) . . ?
O17 Sm3 O32 75.2(2) . . ?
O27 Sm3 O32 71.8(2) . . ?
O13 Sm3 O32 145.25(19) . . ?
O19 Sm3 O32 66.99(19) . . ?
O33 Sm3 O32 50.64(19) . . ?
O4W Sm3 O32 112.9(2) . . ?
O26 Sm3 O3W 73.2(2) . . ?
O17 Sm3 O3W 67.8(2) . . ?
O27 Sm3 O3W 139.8(2) . . ?
O13 Sm3 O3W 71.7(2) . . ?
O19 Sm3 O3W 62.1(2) . . ?
O33 Sm3 O3W 134.8(2) . . ?
O4W Sm3 O3W 129.0(2) . . ?
O32 Sm3 O3W 116.69(19) . . ?
O26 Sm3 C52 105.8(2) . . ?
O17 Sm3 C52 100.9(2) . . ?
O27 Sm3 C52 78.3(3) . . ?
O13 Sm3 C52 159.4(2) . . ?
O19 Sm3 C52 66.4(2) . . ?
O33 Sm3 C52 25.1(2) . . ?
O4W Sm3 C52 94.2(2) . . ?
O32 Sm3 C52 25.8(2) . . ?
O3W Sm3 C52 127.5(2) . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        26.50
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         1.623
_refine_diff_density_min         -1.894
_refine_diff_density_rms         0.194

# start Validation Reply Form
_vrf_PLAT220_7                   
;
PROBLEM:
RESPONSE: The oxygen atoms in question belong to a disordered
perchlorate anion.
;

_vrf_PLAT242_7                   
;
PROBLEM:
RESPONSE: The oxygen atoms in question belong to a disordered
perchlorate anion.
;
_vrf_PLAT241_7                   
;
PROBLEM:
RESPONSE: The oxygen atoms in question belong to a disordered
perchlorate anion.
;
# end Validation Reply Form

data_8
_database_code_depnum_ccdc_archive 'CCDC 713255'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C39 H36 Ag3 Eu2 N6 O19, 2(Cl O4), 4(H2 O)'
_chemical_formula_sum            'C39 H44 Ag3 Cl2 Eu2 N6 O31'
_chemical_formula_weight         1791.23

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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 '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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'

_cell_length_a                   8.0578(2)
_cell_length_b                   10.6254(2)
_cell_length_c                   17.1987(3)
_cell_angle_alpha                82.343(1)
_cell_angle_beta                 78.997(1)
_cell_angle_gamma                71.053(1)
_cell_volume                     1363.09(5)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    12120
_cell_measurement_theta_min      1.36
_cell_measurement_theta_max      28.00

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.182
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             869
_exptl_absorpt_coefficient_mu    3.524
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4110
_exptl_absorpt_correction_T_max  0.5335
_exptl_absorpt_process_details   'Apex2 v2.1-4 (Bruker, 2007)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker AXS SMART APEX CCD diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            22332
_diffrn_reflns_av_R_equivalents  0.0264
_diffrn_reflns_av_sigmaI/netI    0.0449
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.03
_diffrn_reflns_theta_max         28.08
_reflns_number_total             11794
_reflns_number_gt                10763
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Apex2 v2.1-4 (Bruker, 2007)'
_computing_cell_refinement       'Apex2 v2.1-4'
_computing_data_reduction        'Apex2 v2.1-4'
_computing_structure_solution    'SHELXTL 6.14 (Bruker, 2000-2003)'
_computing_structure_refinement  'SHELXTL 6.14'
_computing_molecular_graphics    'SHELXTL 6.14'
_computing_publication_material  'SHELXTL 6.14'

_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)+(0.0152P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.035(6)
_refine_ls_number_reflns         11794
_refine_ls_number_parameters     786
_refine_ls_number_restraints     201
_refine_ls_R_factor_all          0.0300
_refine_ls_R_factor_gt           0.0259
_refine_ls_wR_factor_ref         0.0527
_refine_ls_wR_factor_gt          0.0510
_refine_ls_goodness_of_fit_ref   0.977
_refine_ls_restrained_S_all      0.976
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_chemical_absolute_configuration rm

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
Ag2 Ag 0.32581(7) 0.66006(5) -0.03712(2) 0.06810(15) Uani 1 1 d . . .
Ag3 Ag 0.70151(7) 0.36828(5) 0.02163(2) 0.06507(14) Uani 1 1 d . . .
C1 C -0.0706(5) 0.8464(4) 0.5444(2) 0.0308(8) Uani 1 1 d . . .
C2 C 0.0406(5) 0.7033(4) 0.5576(2) 0.0327(9) Uani 1 1 d . . .
H2 H 0.0009 0.6466 0.5295 0.039 Uiso 1 1 calc R . .
C3 C 0.0198(8) 0.6599(7) 0.6458(3) 0.0640(17) Uani 1 1 d . . .
H3A H 0.0550 0.5642 0.6530 0.096 Uiso 1 1 calc R . .
H3B H -0.1021 0.6958 0.6695 0.096 Uiso 1 1 calc R . .
H3C H 0.0934 0.6922 0.6708 0.096 Uiso 1 1 calc R . .
C4 C -0.6570(6) 0.9913(5) 0.6319(2) 0.0268(10) Uani 1 1 d . . .
C5A C 0.2811(6) 0.9914(5) -0.2784(2) 0.0269(10) Uani 0.594(2) 1 d PGU . 1
C6A C 0.3175(8) 1.0791(5) -0.2359(3) 0.0314(13) Uani 0.594(2) 1 d PGU . 1
H6A H 0.3847 1.1334 -0.2614 0.038 Uiso 0.594(2) 1 calc PR . 1
C7A C 0.2533(9) 1.0857(6) -0.1550(3) 0.0435(16) Uani 0.594(2) 1 d PGU . 1
H7A H 0.2776 1.1444 -0.1266 0.052 Uiso 0.594(2) 1 calc PR . 1
N1A N 0.1528(8) 1.0045(6) -0.1168(2) 0.0452(15) Uani 0.594(2) 1 d PGDU . 1
C8A C 0.1164(7) 0.9168(6) -0.1594(3) 0.0301(14) Uani 0.594(2) 1 d PGU . 1
H8A H 0.0491 0.8625 -0.1338 0.036 Uiso 0.594(2) 1 calc PR . 1
C9A C 0.1806(7) 0.9102(5) -0.2402(3) 0.0279(12) Uani 0.594(2) 1 d PGU . 1
H9A H 0.1562 0.8515 -0.2686 0.034 Uiso 0.594(2) 1 calc PR . 1
Ag1A Ag 0.01017(15) 1.03284(14) 0.00227(5) 0.0673(3) Uani 0.594(2) 1 d PDU . 1
C11A C -0.2773(7) 1.0253(6) 0.2814(2) 0.0256(9) Uani 0.594(2) 1 d PGU . 1
C12A C -0.1627(9) 1.1013(6) 0.2558(3) 0.0313(12) Uani 0.594(2) 1 d PGU . 1
H12A H -0.1340 1.1451 0.2922 0.038 Uiso 0.594(2) 1 calc PR . 1
C13A C -0.0912(9) 1.1119(7) 0.1759(3) 0.0396(16) Uani 0.594(2) 1 d PGU . 1
H13A H -0.0146 1.1628 0.1588 0.048 Uiso 0.594(2) 1 calc PR . 1
N2A N -0.1342(8) 1.0464(6) 0.1215(2) 0.0339(16) Uani 0.594(2) 1 d PGDU . 1
C14A C -0.2488(8) 0.9704(5) 0.1471(3) 0.0303(14) Uani 0.594(2) 1 d PGU . 1
H14A H -0.2775 0.9266 0.1107 0.036 Uiso 0.594(2) 1 calc PR . 1
C15A C -0.3203(8) 0.9599(6) 0.2270(3) 0.0275(12) Uani 0.594(2) 1 d PGU . 1
H15A H -0.3969 0.9090 0.2441 0.033 Uiso 0.594(2) 1 calc PR . 1
C10 C -0.3379(6) 1.0151(5) 0.3700(3) 0.0254(10) Uani 1 1 d U . .
C5B C 0.2748(11) 0.9861(9) -0.2810(4) 0.0269(10) Uani 0.406(2) 1 d PG . 2
C6B C 0.3397(12) 1.0386(9) -0.2277(5) 0.0314(13) Uani 0.406(2) 1 d PG . 2
H6B H 0.4292 1.0777 -0.2459 0.038 Uiso 0.406(2) 1 calc PR . 2
C7B C 0.2709(13) 1.0326(10) -0.1473(4) 0.0435(16) Uani 0.406(2) 1 d PG . 2
H7B H 0.3143 1.0677 -0.1117 0.052 Uiso 0.406(2) 1 calc PR . 2
N1B N 0.1371(12) 0.9741(10) -0.1201(4) 0.0452(15) Uani 0.406(2) 1 d PGD . 2
C8B C 0.0722(11) 0.9215(10) -0.1734(5) 0.0301(14) Uani 0.406(2) 1 d PG . 2
H8B H -0.0173 0.8824 -0.1552 0.036 Uiso 0.406(2) 1 calc PR . 2
C9B C 0.1411(11) 0.9275(9) -0.2538(4) 0.0279(12) Uani 0.406(2) 1 d PG . 2
H9B H 0.0976 0.8924 -0.2894 0.034 Uiso 0.406(2) 1 calc PR . 2
Ag1B Ag -0.0107(3) 0.9823(2) -0.00182(9) 0.0673(3) Uani 0.406(2) 1 d PD . 2
C11B C -0.2655(13) 1.0195(9) 0.2812(3) 0.0256(9) Uani 0.406(2) 1 d PG . 2
C12B C -0.1714(16) 1.1034(10) 0.2403(5) 0.0313(12) Uani 0.406(2) 1 d PG . 2
H12B H -0.1465 1.1636 0.2674 0.038 Uiso 0.406(2) 1 calc PR . 2
C13B C -0.1144(16) 1.0973(11) 0.1590(5) 0.0396(16) Uani 0.406(2) 1 d PG . 2
H13B H -0.0514 1.1534 0.1316 0.048 Uiso 0.406(2) 1 calc PR . 2
N2B N -0.1515(14) 1.0072(10) 0.1185(4) 0.0339(16) Uani 0.406(2) 1 d PGD . 2
C14B C -0.2456(15) 0.9233(9) 0.1593(4) 0.0303(14) Uani 0.406(2) 1 d PG . 2
H14B H -0.2705 0.8631 0.1322 0.036 Uiso 0.406(2) 1 calc PR . 2
C15B C -0.3026(13) 0.9294(9) 0.2407(4) 0.0275(12) Uani 0.406(2) 1 d PG . 2
H15B H -0.3655 0.8733 0.2680 0.033 Uiso 0.406(2) 1 calc PR . 2
C16 C 0.1668(7) 0.8578(5) 0.3148(3) 0.0416(13) Uani 1 1 d . . .
C17 C 0.1934(7) 0.8185(5) 0.2293(3) 0.0330(12) Uani 1 1 d . . .
C18 C 0.2920(7) 0.8756(5) 0.1678(3) 0.0411(13) Uani 1 1 d . . .
H18 H 0.3345 0.9432 0.1767 0.049 Uiso 1 1 calc R . .
C19 C 0.3253(7) 0.8286(5) 0.0925(3) 0.0431(13) Uani 1 1 d . . .
H19 H 0.3930 0.8650 0.0513 0.052 Uiso 1 1 calc R . .
C20 C 0.1675(8) 0.6835(6) 0.1357(3) 0.0517(14) Uani 1 1 d . . .
H20 H 0.1225 0.6186 0.1247 0.062 Uiso 1 1 calc R . .
C21 C 0.1300(7) 0.7218(5) 0.2121(3) 0.0438(13) Uani 1 1 d . . .
H21 H 0.0624 0.6825 0.2516 0.053 Uiso 1 1 calc R . .
C22 C 0.5609(7) 0.4256(5) -0.3797(3) 0.0371(12) Uani 1 1 d . . .
C23 C 0.4903(6) 0.4925(5) -0.3010(3) 0.0331(11) Uani 1 1 d . . .
C24 C 0.5484(7) 0.5907(5) -0.2835(3) 0.0418(13) Uani 1 1 d . . .
H24 H 0.6224 0.6262 -0.3219 0.050 Uiso 1 1 calc R . .
C25 C 0.4985(8) 0.6372(6) -0.2097(3) 0.0534(15) Uani 1 1 d . . .
H25 H 0.5437 0.7016 -0.1982 0.064 Uiso 1 1 calc R . .
C26 C 0.3247(8) 0.5019(6) -0.1716(3) 0.0537(16) Uani 1 1 d . . .
H26 H 0.2437 0.4732 -0.1333 0.064 Uiso 1 1 calc R . .
C27 C 0.3726(8) 0.4478(5) -0.2429(3) 0.0482(14) Uani 1 1 d . . .
H27 H 0.3274 0.3822 -0.2526 0.058 Uiso 1 1 calc R . .
C28 C 0.4548(7) 0.5802(5) 0.3695(3) 0.0320(11) Uani 1 1 d . . .
C29 C 0.5263(7) 0.5222(5) 0.2900(3) 0.0325(11) Uani 1 1 d . . .
C30 C 0.6381(7) 0.5699(6) 0.2350(3) 0.0444(13) Uani 1 1 d . . .
H30 H 0.6805 0.6352 0.2474 0.053 Uiso 1 1 calc R . .
C31 C 0.6911(8) 0.5226(6) 0.1599(3) 0.0472(14) Uani 1 1 d . . .
H31 H 0.7699 0.5564 0.1231 0.057 Uiso 1 1 calc R . .
C32 C 0.5252(8) 0.3805(6) 0.1940(3) 0.0504(14) Uani 1 1 d . . .
H32 H 0.4869 0.3136 0.1807 0.060 Uiso 1 1 calc R . .
C33 C 0.4682(8) 0.4232(5) 0.2699(3) 0.0460(14) Uani 1 1 d . . .
H33 H 0.3927 0.3863 0.3066 0.055 Uiso 1 1 calc R . .
C34 C 0.8246(8) 0.1331(6) -0.3164(3) 0.0441(15) Uani 1 1 d . . .
C35 C 0.8084(7) 0.1849(6) -0.2371(3) 0.0446(14) Uani 1 1 d . . .
C36 C 0.8773(8) 0.2849(6) -0.2288(3) 0.0471(14) Uani 1 1 d . . .
H36 H 0.9426 0.3189 -0.2721 0.056 Uiso 1 1 calc R . .
C37 C 0.8471(8) 0.3342(6) -0.1540(3) 0.0534(15) Uani 1 1 d . . .
H37 H 0.8928 0.4019 -0.1486 0.064 Uiso 1 1 calc R . .
C38 C 0.6916(8) 0.1897(6) -0.1002(3) 0.0549(16) Uani 1 1 d . . .
H38 H 0.6283 0.1554 -0.0562 0.066 Uiso 1 1 calc R . .
C39 C 0.7150(7) 0.1378(6) -0.1710(3) 0.0460(14) Uani 1 1 d . . .
H39 H 0.6675 0.0702 -0.1745 0.055 Uiso 1 1 calc R . .
Cl1 Cl 0.2265(2) 0.29567(17) 0.04625(10) 0.0639(4) Uani 1 1 d . . .
Cl3 Cl 0.7830(2) 0.72121(19) -0.06038(10) 0.0693(5) Uani 1 1 d . . .
Eu1 Eu -0.317571(18) 1.120867(14) 0.544037(9) 0.02698(5) Uani 1 1 d . . .
Eu2 Eu 0.316297(17) 0.876101(14) 0.457871(9) 0.02516(5) Uani 1 1 d . . .
N3 N 0.2644(6) 0.7346(5) 0.0773(2) 0.0486(12) Uani 1 1 d . . .
N4 N 0.3879(7) 0.5937(5) -0.1539(3) 0.0508(13) Uani 1 1 d . . .
N5 N 0.6325(7) 0.4306(5) 0.1389(2) 0.0473(12) Uani 1 1 d . . .
N6 N 0.7549(7) 0.2875(5) -0.0903(3) 0.0515(13) Uani 1 1 d . . .
O1 O 0.0020(3) 0.9366(2) 0.51906(14) 0.0294(6) Uani 1 1 d . . .
O2 O -0.2349(4) 0.8732(3) 0.5603(2) 0.0375(8) Uani 1 1 d . . .
O3 O 0.2247(4) 0.6894(3) 0.52747(19) 0.0351(8) Uani 1 1 d . . .
O4 O -0.5798(5) 1.2615(3) 0.4815(2) 0.0444(9) Uani 1 1 d . . .
H4A H -0.5662 1.3321 0.4633 0.067 Uiso 1 1 d R . .
H4B H -0.6847 1.2820 0.4963 0.067 Uiso 1 1 d R . .
O5 O -0.2030(6) 1.2877(4) 0.4673(2) 0.0525(11) Uani 1 1 d . . .
H5A H -0.1353 1.3032 0.4301 0.079 Uiso 1 1 d R . .
H5B H -0.2394 1.3531 0.4945 0.079 Uiso 1 1 d R . .
O6 O 0.1969(5) 1.1165(3) 0.4564(2) 0.0450(9) Uani 1 1 d . . .
H6C H 0.0949 1.1621 0.4646 0.068 Uiso 1 1 d R . .
H6D H 0.2598 1.1579 0.4614 0.068 Uiso 1 1 d R . .
O7 O 0.5893(4) 0.7332(3) 0.5061(2) 0.0365(8) Uani 1 1 d . . .
H7C H 0.6345 0.7737 0.5275 0.055 Uiso 1 1 d R . .
H7D H 0.6126 0.6610 0.5360 0.055 Uiso 1 1 d R . .
O8 O -0.5708(4) 1.0697(3) 0.60325(19) 0.0397(8) Uani 1 1 d . . .
O9 O -0.6978(5) 0.9187(4) 0.5930(2) 0.0445(9) Uani 1 1 d . . .
O10 O -0.2712(5) 1.0678(4) 0.4104(2) 0.0435(9) Uani 1 1 d . . .
O11 O -0.4544(5) 0.9604(3) 0.39421(19) 0.0399(8) Uani 1 1 d . . .
O12 O 0.2356(5) 0.9450(4) 0.3257(2) 0.0516(10) Uani 1 1 d . . .
O13 O 0.0955(6) 0.7946(4) 0.3678(2) 0.0562(11) Uani 1 1 d . . .
O14 O 0.6474(6) 0.4810(4) -0.4331(2) 0.0563(11) Uani 1 1 d . . .
O15 O 0.5319(5) 0.3181(3) -0.3818(2) 0.0404(9) Uani 1 1 d . . .
O16 O 0.4731(5) 0.6919(3) 0.37524(19) 0.0365(8) Uani 1 1 d . . .
O17 O 0.3801(6) 0.5177(4) 0.4229(2) 0.0492(10) Uani 1 1 d . . .
O18 O 0.9058(6) 0.1798(4) -0.3761(2) 0.0537(11) Uani 1 1 d . . .
O19 O 0.7448(6) 0.0522(4) -0.3195(2) 0.0532(11) Uani 1 1 d . . .
O20 O 0.1086(9) 0.3433(7) 0.1148(4) 0.132(3) Uani 1 1 d . . .
O21 O 0.3480(11) 0.1747(7) 0.0691(5) 0.169(4) Uani 1 1 d . . .
O22 O 0.3278(7) 0.3802(6) 0.0142(3) 0.0938(17) Uani 1 1 d . . .
O23 O 0.1323(11) 0.2750(9) -0.0084(4) 0.173(3) Uani 1 1 d . . .
O24A O 0.7178(18) 0.6198(12) -0.0239(9) 0.129(5) Uani 0.594(2) 1 d PD . 1
O25A O 0.8978(18) 0.6712(17) -0.1295(8) 0.134(6) Uani 0.594(2) 1 d PD . 1
O26A O 0.6338(15) 0.8279(10) -0.0874(6) 0.109(3) Uani 0.594(2) 1 d PD . 1
O27A O 0.8588(15) 0.7630(11) -0.0114(6) 0.099(3) Uani 0.594(2) 1 d PD . 1
O24B O 0.6731(19) 0.6464(18) -0.0335(11) 0.091(6) Uani 0.406(2) 1 d PD . 2
O25B O 0.847(2) 0.721(2) -0.1398(8) 0.126(7) Uani 0.406(2) 1 d PD . 2
O26B O 0.723(3) 0.8473(14) -0.0360(11) 0.158(9) Uani 0.406(2) 1 d PD . 2
O27B O 0.9332(17) 0.659(3) -0.0169(11) 0.201(12) Uani 0.406(2) 1 d PD . 2
O28 O 0.0785(7) 0.3720(6) 0.5704(4) 0.131(2) Uani 1 1 d . . .
H28A H 0.0424 0.3044 0.5860 0.197 Uiso 1 1 d R . .
H28B H -0.0105 0.4377 0.5671 0.197 Uiso 1 1 d R . .
O29 O 0.8912(8) 0.6208(7) 0.3816(4) 0.139(2) Uani 1 1 d . . .
H29A H 0.9545 0.6708 0.3703 0.209 Uiso 1 1 d R . .
H29B H 0.7946 0.6623 0.4063 0.209 Uiso 1 1 d R . .
O30 O 0.2588(6) 0.1963(4) 0.2636(3) 0.0972(15) Uani 1 1 d . . .
H30A H 0.1491 0.2208 0.2786 0.146 Uiso 1 1 d R . .
H30B H 0.2774 0.2061 0.2143 0.146 Uiso 1 1 d R . .
O31A O 0.9351(9) 0.3732(7) 0.3279(4) 0.0566(17) Uani 0.594(2) 1 d P . 1
H31A H 0.9304 0.4452 0.3404 0.085 Uiso 0.594(2) 1 d PR . 1
H31B H 1.0383 0.3270 0.3140 0.085 Uiso 0.594(2) 1 d PR . 1
O31B O 1.029(2) 0.3669(16) 0.3637(13) 0.174(10) Uani 0.406(2) 1 d P . 2
H31C H 0.9637 0.4193 0.3954 0.261 Uiso 0.406(2) 1 d PR . 2
H31D H 0.9727 0.3456 0.3358 0.261 Uiso 0.406(2) 1 d PR . 2


_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
Ag2 N3 2.129(4) . ?
Ag2 N4 2.131(4) . ?
Ag3 N5 2.122(4) . ?
Ag3 N6 2.125(4) . ?
C1 O2 1.244(5) . ?
C1 O1 1.267(4) . ?
C1 C2 1.506(5) . ?
C1 Eu1 2.949(4) . ?
C2 O3 1.441(5) . ?
C2 C3 1.520(7) . ?
C2 H2 0.9800 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 O9 1.240(6) . ?
C4 O8 1.247(6) . ?
C4 C5B 1.494(7) 1_456 ?
C4 C5A 1.528(5) 1_456 ?
C5A C6A 1.3900 . ?
C5A C9A 1.3900 . ?
C5A C4 1.527(5) 1_654 ?
C6A C7A 1.3900 . ?
C6A H6A 0.9300 . ?
C7A N1A 1.3900 . ?
C7A H7A 0.9300 . ?
N1A C8A 1.3900 . ?
N1A Ag1A 2.155(4) . ?
C8A C9A 1.3900 . ?
C8A H8A 0.9300 . ?
C9A H9A 0.9300 . ?
Ag1A N2A 2.154(4) . ?
C11A C12A 1.3900 . ?
C11A C15A 1.3900 . ?
C11A C10 1.511(6) . ?
C12A C13A 1.3900 . ?
C12A H12A 0.9300 . ?
C13A N2A 1.3900 . ?
C13A H13A 0.9300 . ?
N2A C14A 1.3900 . ?
C14A C15A 1.3900 . ?
C14A H14A 0.9300 . ?
C15A H15A 0.9300 . ?
C10 O10 1.235(6) . ?
C10 O11 1.238(6) . ?
C10 C11B 1.529(7) . ?
C5B C6B 1.3900 . ?
C5B C9B 1.3900 . ?
C5B C4 1.494(7) 1_654 ?
C6B C7B 1.3900 . ?
C6B H6B 0.9300 . ?
C7B N1B 1.3900 . ?
C7B H7B 0.9300 . ?
N1B C8B 1.3900 . ?
N1B Ag1B 2.150(6) . ?
C8B C9B 1.3900 . ?
C8B H8B 0.9300 . ?
C9B H9B 0.9300 . ?
Ag1B N2B 2.166(6) . ?
C11B C12B 1.3900 . ?
C11B C15B 1.3900 . ?
C12B C13B 1.3900 . ?
C12B H12B 0.9300 . ?
C13B N2B 1.3900 . ?
C13B H13B 0.9300 . ?
N2B C14B 1.3900 . ?
C14B C15B 1.3900 . ?
C14B H14B 0.9300 . ?
C15B H15B 0.9300 . ?
C16 O13 1.225(6) . ?
C16 O12 1.273(7) . ?
C16 C17 1.539(7) . ?
C16 Eu2 2.993(5) . ?
C17 C21 1.372(8) . ?
C17 C18 1.392(7) . ?
C18 C19 1.398(7) . ?
C18 H18 0.9300 . ?
C19 N3 1.320(7) . ?
C19 H19 0.9300 . ?
C20 N3 1.320(7) . ?
C20 C21 1.376(7) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 O15 1.245(6) . ?
C22 O14 1.247(6) . ?
C22 C23 1.535(6) . ?
C23 C24 1.362(7) . ?
C23 C27 1.389(7) . ?
C24 C25 1.364(7) . ?
C24 H24 0.9300 . ?
C25 N4 1.324(7) . ?
C25 H25 0.9300 . ?
C26 N4 1.329(8) . ?
C26 C27 1.359(8) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 O17 1.238(6) . ?
C28 O16 1.262(6) . ?
C28 C29 1.508(6) . ?
C29 C30 1.344(7) . ?
C29 C33 1.388(7) . ?
C30 C31 1.388(7) . ?
C30 H30 0.9300 . ?
C31 N5 1.330(7) . ?
C31 H31 0.9300 . ?
C32 N5 1.334(7) . ?
C32 C33 1.384(8) . ?
C32 H32 0.9300 . ?
C33 H33 0.9300 . ?
C34 O19 1.241(7) . ?
C34 O18 1.244(6) . ?
C34 C35 1.505(8) . ?
C34 Eu1 2.885(6) 1_644 ?
C35 C39 1.369(8) . ?
C35 C36 1.383(8) . ?
C36 C37 1.402(7) . ?
C36 H36 0.9300 . ?
C37 N6 1.335(7) . ?
C37 H37 0.9300 . ?
C38 N6 1.339(8) . ?
C38 C39 1.359(8) . ?
C38 H38 0.9300 . ?
C39 H39 0.9300 . ?
Cl1 O23 1.393(7) . ?
Cl1 O22 1.397(5) . ?
Cl1 O21 1.400(7) . ?
Cl1 O20 1.403(6) . ?
Cl3 O27A 1.324(10) . ?
Cl3 O24B 1.354(14) . ?
Cl3 O26B 1.363(13) . ?
Cl3 O25B 1.365(13) . ?
Cl3 O24A 1.376(11) . ?
Cl3 O25A 1.408(12) . ?
Cl3 O26A 1.461(10) . ?
Cl3 O27B 1.468(13) . ?
Eu1 O8 2.297(3) . ?
Eu1 O10 2.371(4) . ?
Eu1 O5 2.390(4) . ?
Eu1 O15 2.442(3) 1_466 ?
Eu1 O19 2.459(4) 1_466 ?
Eu1 O2 2.487(3) . ?
Eu1 O4 2.499(3) . ?
Eu1 O1 2.679(2) . ?
Eu1 O18 2.724(4) 1_466 ?
Eu1 C34 2.885(6) 1_466 ?
Eu1 H5B 2.7306 . ?
Eu2 O11 2.336(3) 1_655 ?
Eu2 O9 2.401(3) 1_655 ?
Eu2 O6 2.418(3) . ?
Eu2 O3 2.428(3) . ?
Eu2 O16 2.428(3) . ?
Eu2 O12 2.437(3) . ?
Eu2 O7 2.454(3) . ?
Eu2 O1 2.458(2) . ?
Eu2 O13 2.954(4) . ?
O4 H4A 0.8072 . ?
O4 H4B 0.7996 . ?
O5 H5A 0.7943 . ?
O5 H5B 0.8315 . ?
O6 H6C 0.8033 . ?
O6 H6D 0.7933 . ?
O7 H7C 0.8062 . ?
O7 H7D 0.8528 . ?
O9 Eu2 2.401(3) 1_455 ?
O11 Eu2 2.336(3) 1_455 ?
O15 Eu1 2.442(3) 1_644 ?
O18 Eu1 2.724(4) 1_644 ?
O19 Eu1 2.459(4) 1_644 ?
O28 H28A 0.8520 . ?
O28 H28B 0.8276 . ?
O29 H29A 0.8315 . ?
O29 H29B 0.8258 . ?
O30 H30A 0.8351 . ?
O30 H30B 0.8308 . ?
O31A H31A 0.8096 . ?
O31A H31B 0.8249 . ?
O31B H31C 0.8174 . ?
O31B H31D 0.8184 . ?

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
N3 Ag2 N4 177.52(19) . . ?
N5 Ag3 N6 172.87(19) . . ?
O2 C1 O1 121.3(4) . . ?
O2 C1 C2 118.0(3) . . ?
O1 C1 C2 120.7(3) . . ?
O2 C1 Eu1 56.4(2) . . ?
O1 C1 Eu1 65.27(19) . . ?
C2 C1 Eu1 171.0(3) . . ?
O3 C2 C1 109.9(3) . . ?
O3 C2 C3 109.6(4) . . ?
C1 C2 C3 109.8(4) . . ?
O3 C2 H2 109.2 . . ?
C1 C2 H2 109.2 . . ?
C3 C2 H2 109.2 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
O9 C4 O8 125.0(4) . . ?
O9 C4 C5B 115.8(5) . 1_456 ?
O8 C4 C5B 119.2(5) . 1_456 ?
O9 C4 C5A 119.6(4) . 1_456 ?
O8 C4 C5A 115.5(4) . 1_456 ?
C6A C5A C9A 120.0 . . ?
C6A C5A C4 119.3(4) . 1_654 ?
C9A C5A C4 120.6(4) . 1_654 ?
C5A C6A C7A 120.0 . . ?
C5A C6A H6A 120.0 . . ?
C7A C6A H6A 120.0 . . ?
N1A C7A C6A 120.0 . . ?
N1A C7A H7A 120.0 . . ?
C6A C7A H7A 120.0 . . ?
C7A N1A C8A 120.0 . . ?
C7A N1A Ag1A 122.1(3) . . ?
C8A N1A Ag1A 117.0(3) . . ?
C9A C8A N1A 120.0 . . ?
C9A C8A H8A 120.0 . . ?
N1A C8A H8A 120.0 . . ?
C8A C9A C5A 120.0 . . ?
C8A C9A H9A 120.0 . . ?
C5A C9A H9A 120.0 . . ?
N2A Ag1A N1A 175.7(2) . . ?
C12A C11A C15A 120.0 . . ?
C12A C11A C10 115.0(4) . . ?
C15A C11A C10 124.9(4) . . ?
C13A C12A C11A 120.0 . . ?
C13A C12A H12A 120.0 . . ?
C11A C12A H12A 120.0 . . ?
C12A C13A N2A 120.0 . . ?
C12A C13A H13A 120.0 . . ?
N2A C13A H13A 120.0 . . ?
C13A N2A C14A 120.0 . . ?
C13A N2A Ag1A 120.2(3) . . ?
C14A N2A Ag1A 118.9(3) . . ?
N2A C14A C15A 120.0 . . ?
N2A C14A H14A 120.0 . . ?
C15A C14A H14A 120.0 . . ?
C14A C15A C11A 120.0 . . ?
C14A C15A H15A 120.0 . . ?
C11A C15A H15A 120.0 . . ?
O10 C10 O11 126.9(4) . . ?
O10 C10 C11A 116.2(4) . . ?
O11 C10 C11A 116.8(5) . . ?
O10 C10 C11B 115.0(5) . . ?
O11 C10 C11B 118.2(6) . . ?
C6B C5B C9B 120.0 . . ?
C6B C5B C4 122.0(6) . 1_654 ?
C9B C5B C4 117.9(6) . 1_654 ?
C5B C6B C7B 120.0 . . ?
C5B C6B H6B 120.0 . . ?
C7B C6B H6B 120.0 . . ?
N1B C7B C6B 120.0 . . ?
N1B C7B H7B 120.0 . . ?
C6B C7B H7B 120.0 . . ?
C8B N1B C7B 120.0 . . ?
C8B N1B Ag1B 114.6(5) . . ?
C7B N1B Ag1B 124.8(5) . . ?
C9B C8B N1B 120.0 . . ?
C9B C8B H8B 120.0 . . ?
N1B C8B H8B 120.0 . . ?
C8B C9B C5B 120.0 . . ?
C8B C9B H9B 120.0 . . ?
C5B C9B H9B 120.0 . . ?
N1B Ag1B N2B 174.4(4) . . ?
C12B C11B C15B 120.0 . . ?
C12B C11B C10 126.1(6) . . ?
C15B C11B C10 113.9(6) . . ?
C13B C12B C11B 120.0 . . ?
C13B C12B H12B 120.0 . . ?
C11B C12B H12B 120.0 . . ?
N2B C13B C12B 120.0 . . ?
N2B C13B H13B 120.0 . . ?
C12B C13B H13B 120.0 . . ?
C13B N2B C14B 120.0 . . ?
C13B N2B Ag1B 115.2(5) . . ?
C14B N2B Ag1B 123.6(5) . . ?
C15B C14B N2B 120.0 . . ?
C15B C14B H14B 120.0 . . ?
N2B C14B H14B 120.0 . . ?
C14B C15B C11B 120.0 . . ?
C14B C15B H15B 120.0 . . ?
C11B C15B H15B 120.0 . . ?
O13 C16 O12 124.9(5) . . ?
O13 C16 C17 117.6(5) . . ?
O12 C16 C17 117.2(5) . . ?
O13 C16 Eu2 76.4(3) . . ?
O12 C16 Eu2 52.5(2) . . ?
C17 C16 Eu2 150.4(4) . . ?
C21 C17 C18 118.2(5) . . ?
C21 C17 C16 121.4(4) . . ?
C18 C17 C16 120.2(5) . . ?
C17 C18 C19 118.2(5) . . ?
C17 C18 H18 120.9 . . ?
C19 C18 H18 120.9 . . ?
N3 C19 C18 122.6(5) . . ?
N3 C19 H19 118.7 . . ?
C18 C19 H19 118.7 . . ?
N3 C20 C21 123.0(5) . . ?
N3 C20 H20 118.5 . . ?
C21 C20 H20 118.5 . . ?
C17 C21 C20 119.4(5) . . ?
C17 C21 H21 120.3 . . ?
C20 C21 H21 120.3 . . ?
O15 C22 O14 126.9(5) . . ?
O15 C22 C23 116.0(4) . . ?
O14 C22 C23 117.0(4) . . ?
C24 C23 C27 117.6(5) . . ?
C24 C23 C22 121.9(4) . . ?
C27 C23 C22 120.4(5) . . ?
C23 C24 C25 120.3(5) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
N4 C25 C24 122.2(5) . . ?
N4 C25 H25 118.9 . . ?
C24 C25 H25 118.9 . . ?
N4 C26 C27 123.3(5) . . ?
N4 C26 H26 118.4 . . ?
C27 C26 H26 118.4 . . ?
C26 C27 C23 118.6(6) . . ?
C26 C27 H27 120.7 . . ?
C23 C27 H27 120.7 . . ?
O17 C28 O16 125.2(4) . . ?
O17 C28 C29 118.6(4) . . ?
O16 C28 C29 116.2(4) . . ?
C30 C29 C33 118.1(5) . . ?
C30 C29 C28 121.6(5) . . ?
C33 C29 C28 120.2(5) . . ?
C29 C30 C31 120.7(5) . . ?
C29 C30 H30 119.6 . . ?
C31 C30 H30 119.6 . . ?
N5 C31 C30 121.9(5) . . ?
N5 C31 H31 119.0 . . ?
C30 C31 H31 119.0 . . ?
N5 C32 C33 123.2(5) . . ?
N5 C32 H32 118.4 . . ?
C33 C32 H32 118.4 . . ?
C32 C33 C29 118.5(5) . . ?
C32 C33 H33 120.8 . . ?
C29 C33 H33 120.8 . . ?
O19 C34 O18 123.1(6) . . ?
O19 C34 C35 117.7(5) . . ?
O18 C34 C35 119.0(6) . . ?
O19 C34 Eu1 57.8(3) . 1_644 ?
O18 C34 Eu1 70.0(3) . 1_644 ?
C35 C34 Eu1 152.0(4) . 1_644 ?
C39 C35 C36 117.9(5) . . ?
C39 C35 C34 119.9(6) . . ?
C36 C35 C34 122.1(5) . . ?
C35 C36 C37 118.9(5) . . ?
C35 C36 H36 120.6 . . ?
C37 C36 H36 120.6 . . ?
N6 C37 C36 122.3(6) . . ?
N6 C37 H37 118.8 . . ?
C36 C37 H37 118.8 . . ?
N6 C38 C39 123.5(6) . . ?
N6 C38 H38 118.3 . . ?
C39 C38 H38 118.3 . . ?
C38 C39 C35 120.1(6) . . ?
C38 C39 H39 120.0 . . ?
C35 C39 H39 120.0 . . ?
O23 Cl1 O22 112.4(4) . . ?
O23 Cl1 O21 110.0(6) . . ?
O22 Cl1 O21 105.6(5) . . ?
O23 Cl1 O20 109.5(5) . . ?
O22 Cl1 O20 111.8(4) . . ?
O21 Cl1 O20 107.4(5) . . ?
O27A Cl3 O24B 121.6(10) . . ?
O27A Cl3 O26B 56.4(10) . . ?
O24B Cl3 O26B 115.1(10) . . ?
O27A Cl3 O25B 120.6(9) . . ?
O24B Cl3 O25B 115.5(11) . . ?
O26B Cl3 O25B 111.5(11) . . ?
O27A Cl3 O24A 111.1(8) . . ?
O26B Cl3 O24A 123.6(9) . . ?
O25B Cl3 O24A 118.9(11) . . ?
O27A Cl3 O25A 114.2(8) . . ?
O24B Cl3 O25A 110.2(12) . . ?
O26B Cl3 O25A 129.8(10) . . ?
O24A Cl3 O25A 106.1(9) . . ?
O27A Cl3 O26A 111.8(7) . . ?
O24B Cl3 O26A 89.3(9) . . ?
O26B Cl3 O26A 55.5(10) . . ?
O25B Cl3 O26A 82.6(10) . . ?
O24A Cl3 O26A 107.1(7) . . ?
O25A Cl3 O26A 106.1(7) . . ?
O27A Cl3 O27B 45.1(10) . . ?
O24B Cl3 O27B 103.4(12) . . ?
O26B Cl3 O27B 101.5(13) . . ?
O25B Cl3 O27B 108.2(10) . . ?
O24A Cl3 O27B 85.9(12) . . ?
O25A Cl3 O27B 87.7(10) . . ?
O26A Cl3 O27B 157.0(11) . . ?
O8 Eu1 O10 105.25(13) . . ?
O8 Eu1 O5 145.05(13) . . ?
O10 Eu1 O5 74.81(13) . . ?
O8 Eu1 O15 80.54(12) . 1_466 ?
O10 Eu1 O15 136.60(13) . 1_466 ?
O5 Eu1 O15 77.11(12) . 1_466 ?
O8 Eu1 O19 79.08(13) . 1_466 ?
O10 Eu1 O19 148.68(13) . 1_466 ?
O5 Eu1 O19 119.43(14) . 1_466 ?
O15 Eu1 O19 74.59(12) 1_466 1_466 ?
O8 Eu1 O2 73.47(11) . . ?
O10 Eu1 O2 78.65(13) . . ?
O5 Eu1 O2 137.97(12) . . ?
O15 Eu1 O2 141.42(11) 1_466 . ?
O19 Eu1 O2 72.88(12) 1_466 . ?
O8 Eu1 O4 68.79(11) . . ?
O10 Eu1 O4 71.46(13) . . ?
O5 Eu1 O4 78.64(13) . . ?
O15 Eu1 O4 71.05(12) 1_466 . ?
O19 Eu1 O4 135.88(13) 1_466 . ?
O2 Eu1 O4 122.38(12) . . ?
O8 Eu1 O1 123.01(10) . . ?
O10 Eu1 O1 73.39(11) . . ?
O5 Eu1 O1 91.01(11) . . ?
O15 Eu1 O1 139.55(10) 1_466 . ?
O19 Eu1 O1 78.37(11) 1_466 . ?
O2 Eu1 O1 49.98(9) . . ?
O4 Eu1 O1 144.82(10) . . ?
O8 Eu1 O18 124.52(12) . 1_466 ?
O10 Eu1 O18 129.13(13) . 1_466 ?
O5 Eu1 O18 70.40(13) . 1_466 ?
O15 Eu1 O18 68.22(12) 1_466 1_466 ?
O19 Eu1 O18 49.55(13) 1_466 1_466 ?
O2 Eu1 O18 104.13(12) . 1_466 ?
O4 Eu1 O18 133.00(12) . 1_466 ?
O1 Eu1 O18 71.37(10) . 1_466 ?
O8 Eu1 C34 99.73(15) . 1_466 ?
O10 Eu1 C34 149.75(15) . 1_466 ?
O5 Eu1 C34 94.21(16) . 1_466 ?
O15 Eu1 C34 63.98(14) 1_466 1_466 ?
O19 Eu1 C34 25.27(14) 1_466 1_466 ?
O2 Eu1 C34 92.62(14) . 1_466 ?
O4 Eu1 C34 134.90(14) . 1_466 ?
O1 Eu1 C34 78.83(12) . 1_466 ?
O18 Eu1 C34 25.43(14) 1_466 1_466 ?
O8 Eu1 C1 97.64(11) . . ?
O10 Eu1 C1 76.13(12) . . ?
O5 Eu1 C1 115.68(12) . . ?
O15 Eu1 C1 146.81(11) 1_466 . ?
O19 Eu1 C1 72.56(12) 1_466 . ?
O2 Eu1 C1 24.62(10) . . ?
O4 Eu1 C1 139.37(11) . . ?
O1 Eu1 C1 25.45(9) . . ?
O18 Eu1 C1 86.75(11) 1_466 . ?
C34 Eu1 C1 83.97(13) 1_466 . ?
O8 Eu1 H5B 134.4 . . ?
O10 Eu1 H5B 90.4 . . ?
O5 Eu1 H5B 17.1 . . ?
O15 Eu1 H5B 60.2 1_466 . ?
O19 Eu1 H5B 108.9 1_466 . ?
O2 Eu1 H5B 152.1 . . ?
O4 Eu1 H5B 76.7 . . ?
O1 Eu1 H5B 102.4 . . ?
O18 Eu1 H5B 63.4 1_466 . ?
C34 Eu1 H5B 84.0 1_466 . ?
C1 Eu1 H5B 127.8 . . ?
O11 Eu2 O9 100.86(12) 1_655 1_655 ?
O11 Eu2 O6 73.46(12) 1_655 . ?
O9 Eu2 O6 76.74(12) 1_655 . ?
O11 Eu2 O3 148.74(11) 1_655 . ?
O9 Eu2 O3 79.74(12) 1_655 . ?
O6 Eu2 O3 135.45(11) . . ?
O11 Eu2 O16 83.11(12) 1_655 . ?
O9 Eu2 O16 135.73(12) 1_655 . ?
O6 Eu2 O16 143.84(12) . . ?
O3 Eu2 O16 75.69(11) . . ?
O11 Eu2 O12 78.35(13) 1_655 . ?
O9 Eu2 O12 151.67(12) 1_655 . ?
O6 Eu2 O12 75.94(12) . . ?
O3 Eu2 O12 115.64(13) . . ?
O16 Eu2 O12 72.57(12) . . ?
O11 Eu2 O7 72.99(12) 1_655 . ?
O9 Eu2 O7 71.11(12) 1_655 . ?
O6 Eu2 O7 127.27(12) . . ?
O3 Eu2 O7 77.85(11) . . ?
O16 Eu2 O7 68.07(11) . . ?
O12 Eu2 O7 133.29(12) . . ?
O11 Eu2 O1 144.51(10) 1_655 . ?
O9 Eu2 O1 72.80(11) 1_655 . ?
O6 Eu2 O1 71.10(10) . . ?
O3 Eu2 O1 65.99(9) . . ?
O16 Eu2 O1 126.33(10) . . ?
O12 Eu2 O1 91.30(11) . . ?
O7 Eu2 O1 132.39(10) . . ?
O11 Eu2 O13 121.82(11) 1_655 . ?
O9 Eu2 O13 136.39(12) 1_655 . ?
O6 Eu2 O13 105.40(12) . . ?
O3 Eu2 O13 68.62(11) . . ?
O16 Eu2 O13 64.38(11) . . ?
O12 Eu2 O13 47.32(12) . . ?
O7 Eu2 O13 126.76(11) . . ?
O1 Eu2 O13 67.33(9) . . ?
O11 Eu2 C16 98.67(14) 1_655 . ?
O9 Eu2 C16 155.33(14) 1_655 . ?
O6 Eu2 C16 94.69(13) . . ?
O3 Eu2 C16 91.23(14) . . ?
O16 Eu2 C16 61.61(12) . . ?
O12 Eu2 C16 24.49(14) . . ?
O7 Eu2 C16 129.65(12) . . ?
O1 Eu2 C16 82.55(12) . . ?
O13 Eu2 C16 23.77(12) . . ?
C19 N3 C20 118.6(5) . . ?
C19 N3 Ag2 121.7(4) . . ?
C20 N3 Ag2 119.7(4) . . ?
C25 N4 C26 117.9(5) . . ?
C25 N4 Ag2 121.0(4) . . ?
C26 N4 Ag2 121.0(4) . . ?
C31 N5 C32 117.5(5) . . ?
C31 N5 Ag3 121.5(4) . . ?
C32 N5 Ag3 121.0(4) . . ?
C37 N6 C38 117.3(5) . . ?
C37 N6 Ag3 121.9(4) . . ?
C38 N6 Ag3 120.7(4) . . ?
C1 O1 Eu2 120.1(2) . . ?
C1 O1 Eu1 89.3(2) . . ?
Eu2 O1 Eu1 149.46(11) . . ?
C1 O2 Eu1 99.0(2) . . ?
C2 O3 Eu2 121.3(2) . . ?
Eu1 O4 H4A 110.2 . . ?
Eu1 O4 H4B 133.2 . . ?
H4A O4 H4B 102.0 . . ?
Eu1 O5 H5A 146.0 . . ?
Eu1 O5 H5B 105.4 . . ?
H5A O5 H5B 107.8 . . ?
Eu2 O6 H6C 128.8 . . ?
Eu2 O6 H6D 118.9 . . ?
H6C O6 H6D 109.7 . . ?
Eu2 O7 H7C 112.8 . . ?
Eu2 O7 H7D 132.8 . . ?
H7C O7 H7D 98.0 . . ?
C4 O8 Eu1 153.8(3) . . ?
C4 O9 Eu2 140.5(3) . 1_455 ?
C10 O10 Eu1 137.3(3) . . ?
C10 O11 Eu2 170.8(3) . 1_455 ?
C16 O12 Eu2 103.0(3) . . ?
C16 O13 Eu2 79.9(3) . . ?
C22 O15 Eu1 134.2(3) . 1_644 ?
C28 O16 Eu2 134.6(3) . . ?
C34 O18 Eu1 84.6(4) . 1_644 ?
C34 O19 Eu1 97.0(3) . 1_644 ?
H28A O28 H28B 107.3 . . ?
H29A O29 H29B 108.4 . . ?
H30A O30 H30B 108.2 . . ?
H31A O31A H31B 111.8 . . ?
H31B O31A H31C 97.3 . . ?
H31A O31A H31D 111.1 . . ?
H31B O31B H31C 144.4 . . ?
H31C O31B H31D 111.0 . . ?

_diffrn_measured_fraction_theta_max 0.984
_diffrn_reflns_theta_full        28.08
_diffrn_measured_fraction_theta_full 0.984
_refine_diff_density_max         0.893
_refine_diff_density_min         -0.547
_refine_diff_density_rms         0.081

# end Validation Reply Form

data_6b
_database_code_depnum_ccdc_archive 'CCDC 713256'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H56 Ag4 Cl2 Lu3 N8 O37'
_chemical_formula_weight         2436.36

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Lu Lu -0.4720 5.8584 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   14.3880(2)
_cell_length_b                   15.0923(2)
_cell_length_c                   17.3671(2)
_cell_angle_alpha                86.038(1)
_cell_angle_beta                 83.144(1)
_cell_angle_gamma                84.315(1)
_cell_volume                     3719.58(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    8000
_cell_measurement_theta_min      1.36
_cell_measurement_theta_max      28.00

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.175
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2334
_exptl_absorpt_coefficient_mu    5.141
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4817
_exptl_absorpt_correction_T_max  0.5630
_exptl_absorpt_process_details   'Apex2 v2.1-4 (Bruker, 2007)'

_exptl_special_details           
;
One perchlorate and two crystallographically independent racemic
lactate anions are disordered over two positions; the disorders
refined to 0.638(13):0.362(13). Carbon-bound H atoms were placed
at calculated positions and were treated as riding on the parent
C atoms. The hydroxy and water H atoms were located in a difference
Fourier map, and were refined with distance restraints of O--H
0.85+-0.01 Å and H...H 1.39+-0.01 Å; their temperature factors
were freely refined.
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker AXS SMART APEX CCD diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_reflns_number            42404
_diffrn_reflns_av_R_equivalents  0.0664
_diffrn_reflns_av_sigmaI/netI    0.0885
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.18
_diffrn_reflns_theta_max         25.20
_reflns_number_total             13315
_reflns_number_gt                8812
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Apex2 v2.1-4 (Bruker, 2007)'
_computing_cell_refinement       'Apex2 v2.1-4'
_computing_data_reduction        'Apex2 v2.1-4'
_computing_structure_solution    'SHELXTL 6.14 (Bruker, 2000-2003)'
_computing_structure_refinement  'SHELXTL 6.14'
_computing_molecular_graphics    'SHELXTL 6.14'
_computing_publication_material  'SHELXTL 6.14'

_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)+(0.1582P)²] 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         13315
_refine_ls_number_parameters     1018
_refine_ls_number_restraints     336
_refine_ls_R_factor_all          0.1124
_refine_ls_R_factor_gt           0.0796
_refine_ls_wR_factor_ref         0.2603
_refine_ls_wR_factor_gt          0.2356
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_restrained_S_all      1.068
_refine_ls_shift/su_max          0.002
_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
Lu1 Lu 0.68221(5) 0.80546(4) 0.95025(4) 0.0297(2) Uani 1 1 d . A .
Lu2 Lu 0.73848(5) 1.13148(5) 0.94320(4) 0.0318(2) Uani 1 1 d . . .
Lu3 Lu 0.77613(5) 0.48720(4) 0.98356(4) 0.0312(2) Uani 1 1 d . A .
Ag1 Ag 0.84374(11) 1.11392(10) 0.42989(7) 0.0448(4) Uani 1 1 d . . .
Ag2 Ag 0.87195(12) 0.51586(10) 0.49558(7) 0.0472(4) Uani 1 1 d . . .
Ag3 Ag 0.41251(12) 0.89659(12) 0.53481(7) 0.0548(5) Uani 1 1 d . . .
Ag4 Ag 0.64294(12) 0.61465(12) 0.45809(7) 0.0584(5) Uani 1 1 d . . .
C1 C 0.8933(12) 0.9899(10) 0.5751(8) 0.030(3) Uani 1 1 d U . .
H1 H 0.9132 0.9476 0.5387 0.036 Uiso 1 1 calc R . .
C2 C 0.8992(12) 0.9657(10) 0.6515(8) 0.030(3) Uani 1 1 d U . .
H2 H 0.9194 0.9073 0.6667 0.036 Uiso 1 1 calc R . .
C3 C 0.8752(11) 1.0281(9) 0.7057(8) 0.022(2) Uani 1 1 d U . .
C4 C 0.8405(12) 1.1158(10) 0.6794(9) 0.032(3) Uani 1 1 d U . .
H4 H 0.8223 1.1603 0.7140 0.038 Uiso 1 1 calc R . .
C5 C 0.8353(13) 1.1315(10) 0.6024(9) 0.035(3) Uani 1 1 d U . .
H5 H 0.8123 1.1884 0.5857 0.042 Uiso 1 1 calc R . .
C6 C 0.8818(10) 1.0062(9) 0.7896(7) 0.020(2) Uani 1 1 d U . .
C7 C 0.7719(12) 0.2536(10) 1.3126(8) 0.031(3) Uani 1 1 d U . .
H7 H 0.7566 0.2847 1.3575 0.037 Uiso 1 1 calc R . .
C8 C 0.7471(11) 0.2946(10) 1.2436(8) 0.026(3) Uani 1 1 d U . .
H8 H 0.7161 0.3517 1.2421 0.032 Uiso 1 1 calc R . .
C9 C 0.7698(10) 0.2479(9) 1.1759(8) 0.019(2) Uani 1 1 d U . .
C10 C 0.8143(12) 0.1644(10) 1.1833(9) 0.033(3) Uani 1 1 d U . .
H10 H 0.8284 0.1302 1.1402 0.040 Uiso 1 1 calc R . .
C11 C 0.8382(13) 0.1308(11) 1.2535(9) 0.035(3) Uani 1 1 d U . .
H11 H 0.8721 0.0751 1.2557 0.042 Uiso 1 1 calc R . .
C12 C 0.7416(10) 0.2868(9) 1.0987(8) 0.019(2) Uani 1 1 d U . .
C13 C 0.6207(10) 0.6308(9) 1.0886(8) 0.018(2) Uani 1 1 d U . .
C14 C 0.6175(11) 0.6281(10) 1.1771(8) 0.025(2) Uani 1 1 d U . .
C15 C 0.6102(13) 0.5504(11) 1.2196(9) 0.035(3) Uani 1 1 d U . .
H15 H 0.6009 0.4992 1.1957 0.042 Uiso 1 1 calc R . .
C16 C 0.6165(13) 0.5468(12) 1.2977(9) 0.041(3) Uani 1 1 d U . .
H16 H 0.6140 0.4922 1.3257 0.049 Uiso 1 1 calc R . .
C17 C 0.6340(14) 0.6986(13) 1.2913(9) 0.044(3) Uani 1 1 d U . .
H17 H 0.6420 0.7501 1.3152 0.053 Uiso 1 1 calc R . .
C18 C 0.6302(13) 0.7012(11) 1.2150(9) 0.039(3) Uani 1 1 d U . .
H18 H 0.6364 0.7552 1.1865 0.046 Uiso 1 1 calc R . .
C19 C 0.6885(10) 0.6258(9) 0.8203(8) 0.017(2) Uani 1 1 d U . .
C20 C 0.6806(10) 0.6202(9) 0.7356(8) 0.020(2) Uani 1 1 d U . .
C21 C 0.7191(11) 0.6851(10) 0.6824(8) 0.027(3) Uani 1 1 d U . .
H21 H 0.7490 0.7313 0.6985 0.033 Uiso 1 1 calc R . .
C22 C 0.7102(11) 0.6761(11) 0.6045(9) 0.029(3) Uani 1 1 d U . .
H22 H 0.7393 0.7155 0.5680 0.035 Uiso 1 1 calc R . .
C23 C 0.6270(11) 0.5543(11) 0.6307(8) 0.029(3) Uani 1 1 d U . .
H23 H 0.5952 0.5100 0.6136 0.035 Uiso 1 1 calc R . .
C24 C 0.6359(10) 0.5557(10) 0.7091(8) 0.023(2) Uani 1 1 d U . .
H24 H 0.6111 0.5120 0.7437 0.028 Uiso 1 1 calc R . .
C25 C 0.4494(9) 0.8575(8) 0.9036(8) 0.015(2) Uani 1 1 d U . .
C26 C 0.4420(10) 0.8659(9) 0.8172(8) 0.018(2) Uani 1 1 d U . .
C27 C 0.3909(12) 0.9383(11) 0.7830(9) 0.035(3) Uani 1 1 d U . .
H27 H 0.3597 0.9825 0.8139 0.042 Uiso 1 1 calc R . .
C28 C 0.3863(13) 0.9448(12) 0.7070(9) 0.041(3) Uani 1 1 d U . .
H28 H 0.3520 0.9944 0.6863 0.049 Uiso 1 1 calc R . .
C29 C 0.4771(11) 0.8131(10) 0.6908(8) 0.028(3) Uani 1 1 d U . .
H29 H 0.5064 0.7687 0.6594 0.033 Uiso 1 1 calc R . .
C30 C 0.4857(11) 0.8035(9) 0.7677(8) 0.022(2) Uani 1 1 d U . .
H30 H 0.5214 0.7541 0.7873 0.027 Uiso 1 1 calc R . .
C31 C 0.6323(10) 1.0042(9) 0.8267(8) 0.018(2) Uani 1 1 d U . .
C32 C 0.6216(11) 1.0266(9) 0.7437(8) 0.021(2) Uani 1 1 d U . .
C33 C 0.5858(12) 1.1127(10) 0.7175(8) 0.029(3) Uani 1 1 d U . .
H33 H 0.5679 1.1561 0.7532 0.035 Uiso 1 1 calc R . .
C34 C 0.5774(13) 1.1325(11) 0.6440(9) 0.040(3) Uani 1 1 d U . .
H34 H 0.5551 1.1902 0.6287 0.048 Uiso 1 1 calc R . .
C35 C 0.6358(13) 0.9894(11) 0.6099(9) 0.040(3) Uani 1 1 d U . .
H35 H 0.6546 0.9478 0.5727 0.048 Uiso 1 1 calc R . .
C36 C 0.6446(12) 0.9662(10) 0.6875(8) 0.029(3) Uani 1 1 d U . .
H36 H 0.6667 0.9081 0.7018 0.035 Uiso 1 1 calc R . .
C37 C 0.8020(10) 0.3301(9) 0.8378(7) 0.016(2) Uani 1 1 d U . .
C38 C 0.8189(9) 0.3765(8) 0.7600(7) 0.014(2) Uani 1 1 d U . .
C39 C 0.8713(9) 0.4471(9) 0.7475(8) 0.017(2) Uani 1 1 d U . .
H39 H 0.8974 0.4681 0.7884 0.020 Uiso 1 1 calc R . .
C40 C 0.8862(10) 0.4885(10) 0.6727(8) 0.023(2) Uani 1 1 d U . .
H40 H 0.9221 0.5370 0.6646 0.028 Uiso 1 1 calc R A .
C41 C 0.8031(12) 0.3874(10) 0.6256(8) 0.029(3) Uani 1 1 d U . .
H41 H 0.7837 0.3627 0.5833 0.034 Uiso 1 1 calc R A .
C42 C 0.7821(11) 0.3476(9) 0.6954(8) 0.023(2) Uani 1 1 d U . .
H42 H 0.7434 0.3011 0.7015 0.027 Uiso 1 1 calc R . .
C43 C 0.8950(12) 0.6306(11) 1.3401(8) 0.033(3) Uani 1 1 d U . .
H43 H 0.9073 0.6756 1.3705 0.039 Uiso 1 1 calc R . .
C44 C 0.8972(12) 0.6472(10) 1.2616(8) 0.030(3) Uani 1 1 d U . .
H44 H 0.9105 0.7033 1.2399 0.036 Uiso 1 1 calc R . .
C45 C 0.8799(11) 0.5824(9) 1.2134(8) 0.023(2) Uani 1 1 d U . .
C46 C 0.8601(12) 0.4986(10) 1.2507(9) 0.030(3) Uani 1 1 d U . .
H46 H 0.8490 0.4524 1.2212 0.036 Uiso 1 1 calc R . .
C47 C 0.8572(13) 0.4852(11) 1.3281(9) 0.039(3) Uani 1 1 d U . .
H47 H 0.8424 0.4302 1.3511 0.046 Uiso 1 1 calc R . .
C48 C 0.8808(11) 0.5984(9) 1.1288(8) 0.020(2) Uani 1 1 d U . .
C49 C 0.7954(11) 0.9593(9) 1.0337(8) 0.022(2) Uani 1 1 d U . .
C50A C 0.843(2) 0.8731(16) 1.0773(14) 0.023(2) Uani 0.49(2) 1 d PDU A 1
H50A H 0.9112 0.8627 1.0623 0.028 Uiso 0.49(2) 1 calc PR A 1
C51A C 0.818(3) 0.886(2) 1.1603(15) 0.030(3) Uani 0.49(2) 1 d PDU A 1
H51A H 0.8402 0.9404 1.1730 0.045 Uiso 0.49(2) 1 calc PR A 1
H51B H 0.8468 0.8368 1.1901 0.045 Uiso 0.49(2) 1 calc PR A 1
H51C H 0.7511 0.8887 1.1723 0.045 Uiso 0.49(2) 1 calc PR A 1
C50B C 0.801(2) 0.8834(13) 1.0941(18) 0.023(2) Uani 0.51(2) 1 d PDU A 2
H50B H 0.7437 0.8930 1.1300 0.028 Uiso 0.51(2) 1 calc PR A 2
C51B C 0.878(2) 0.889(2) 1.1413(19) 0.030(3) Uani 0.51(2) 1 d PDU A 2
H51D H 0.9337 0.9017 1.1081 0.045 Uiso 0.51(2) 1 calc PR A 2
H51E H 0.8893 0.8328 1.1700 0.045 Uiso 0.51(2) 1 calc PR A 2
H51F H 0.8608 0.9351 1.1769 0.045 Uiso 0.51(2) 1 calc PR A 2
C52 C 0.8676(10) 0.6470(8) 0.9133(8) 0.017(2) Uani 1 1 d U . .
C53A C 0.9142(16) 0.7278(14) 0.8703(12) 0.024(2) Uani 0.638(13) 1 d PDU A 1
H53A H 0.9639 0.7445 0.8990 0.036 Uiso 0.638(13) 1 calc PR A 1
C54A C 0.9526(18) 0.7088(16) 0.7907(12) 0.030(3) Uani 0.638(13) 1 d PDU A 1
H54A H 1.0078 0.6676 0.7915 0.046 Uiso 0.638(13) 1 calc PR A 1
H54B H 0.9687 0.7632 0.7625 0.046 Uiso 0.638(13) 1 calc PR A 1
H54C H 0.9064 0.6832 0.7657 0.046 Uiso 0.638(13) 1 calc PR A 1
C53B C 0.894(2) 0.7185(17) 0.844(3) 0.024(2) Uani 0.362(13) 1 d PDU A 2
H53B H 0.8722 0.7012 0.7964 0.028 Uiso 0.362(13) 1 calc PR A 2
C54B C 0.995(2) 0.729(3) 0.830(3) 0.030(3) Uani 0.362(13) 1 d PDU A 2
H54D H 1.0167 0.7423 0.8780 0.046 Uiso 0.362(13) 1 calc PR A 2
H54E H 1.0056 0.7769 0.7921 0.046 Uiso 0.362(13) 1 calc PR A 2
H54F H 1.0279 0.6747 0.8122 0.046 Uiso 0.362(13) 1 calc PR A 2
Cl1 Cl 0.3859(4) 0.6499(4) 0.5144(3) 0.0535(13) Uani 1 1 d . . .
N1 N 0.8598(10) 1.0733(8) 0.5490(7) 0.033(3) Uani 1 1 d U . .
N2 N 0.8167(10) 0.1719(8) 1.3189(7) 0.032(3) Uani 1 1 d U . .
N3 N 0.6260(12) 0.6189(10) 1.3349(8) 0.045(3) Uani 1 1 d U . .
N4 N 0.6630(9) 0.6153(9) 0.5790(7) 0.031(2) Uani 1 1 d U . .
N5 N 0.4290(9) 0.8829(9) 0.6573(7) 0.031(3) Uani 1 1 d U . .
N6 N 0.6008(12) 1.0703(10) 0.5883(8) 0.044(3) Uani 1 1 d U . .
N7 N 0.8490(9) 0.4588(9) 0.6118(7) 0.029(2) Uani 1 1 d U A .
N8 N 0.8755(11) 0.5504(9) 1.3747(7) 0.037(3) Uani 1 1 d U . .
O1 O 0.4359(15) 0.6626(19) 0.5759(15) 0.144(10) Uani 1 1 d . . .
O2 O 0.3273(14) 0.7322(12) 0.4992(11) 0.103(7) Uani 1 1 d . . .
O3 O 0.3216(14) 0.5870(12) 0.5404(10) 0.091(6) Uani 1 1 d . . .
O4 O 0.4349(17) 0.6360(15) 0.4369(12) 0.125(9) Uani 1 1 d . . .
Cl2 Cl 1.0006(10) 0.7183(8) 0.5370(6) 0.038(2) Uani 0.638(13) 1 d PD A 1
O5 O 0.971(3) 0.6330(16) 0.5484(17) 0.122(12) Uani 0.638(13) 1 d PDU A 1
O6 O 0.991(2) 0.7530(16) 0.4624(11) 0.103(9) Uani 0.638(13) 1 d PDU A 1
O7 O 0.953(2) 0.773(2) 0.5918(14) 0.133(10) Uani 0.638(13) 1 d PDU A 1
O8 O 1.0977(15) 0.711(2) 0.5466(17) 0.091(7) Uani 0.638(13) 1 d PDU A 1
Cl2B Cl 1.000(2) 0.7081(17) 0.5646(11) 0.038(2) Uani 0.362(13) 1 d PD A 2
O5B O 0.956(5) 0.646(3) 0.530(3) 0.128(14) Uani 0.362(13) 1 d PDU A 2
O6B O 0.976(4) 0.794(3) 0.534(3) 0.122(10) Uani 0.362(13) 1 d PDU A 2
O7B O 0.975(4) 0.703(3) 0.6444(15) 0.139(14) Uani 0.362(13) 1 d PDU A 2
O8B O 1.098(2) 0.689(4) 0.549(3) 0.091(7) Uani 0.362(13) 1 d PDU A 2
O13 O 0.7277(7) 0.3709(6) 1.0917(5) 0.023(2) Uani 1 1 d U . .
O14 O 0.7326(8) 0.2361(6) 1.0508(6) 0.028(2) Uani 1 1 d U . .
O15 O 0.9296(7) 0.9369(6) 0.8084(5) 0.021(2) Uani 1 1 d U . .
O16 O 0.8358(8) 1.0601(7) 0.8363(5) 0.028(2) Uani 1 1 d U . .
O17 O 0.6382(7) 0.5604(6) 1.0559(5) 0.020(2) Uani 1 1 d U . .
O18 O 0.6101(7) 0.7091(6) 1.0534(5) 0.022(2) Uani 1 1 d U . .
O19 O 0.7089(7) 0.5548(6) 0.8597(5) 0.0173(19) Uani 1 1 d U . .
O20 O 0.6710(7) 0.7017(6) 0.8454(5) 0.022(2) Uani 1 1 d U . .
O21 O 0.5086(6) 0.8006(6) 0.9278(5) 0.0179(19) Uani 1 1 d U . .
O22 O 0.3937(6) 0.9069(6) 0.9464(5) 0.0165(19) Uani 1 1 d U . .
O23 O 0.6481(7) 0.9206(6) 0.8451(5) 0.024(2) Uani 1 1 d U . .
O24 O 0.6227(7) 1.0635(6) 0.8733(5) 0.022(2) Uani 1 1 d U . .
O25 O 0.7699(7) 0.2568(6) 0.8411(5) 0.021(2) Uani 1 1 d U . .
O26 O 0.8244(7) 0.3667(6) 0.8945(5) 0.020(2) Uani 1 1 d U . .
O27 O 0.8437(7) 0.5418(6) 1.0955(5) 0.026(2) Uani 1 1 d U . .
O28 O 0.9185(7) 0.6636(6) 1.0962(5) 0.024(2) Uani 1 1 d U . .
O29 O 0.8224(7) 1.0335(5) 1.0455(5) 0.0183(14) Uani 1 1 d U A .
O30 O 0.7490(7) 0.9491(5) 0.9772(5) 0.0183(14) Uani 1 1 d U A .
O31 O 0.7919(7) 0.8028(6) 1.0592(6) 0.025(2) Uani 1 1 d DU . .
H31A H 0.8299 0.7623 1.0730 0.038 Uiso 1 1 d R A .
O32 O 0.7948(6) 0.6632(5) 0.9582(5) 0.0137(17) Uani 1 1 d U A .
O33 O 0.9111(6) 0.5711(6) 0.9064(5) 0.0171(19) Uani 1 1 d U A .
O34 O 0.8408(7) 0.7987(6) 0.8687(6) 0.028(2) Uani 1 1 d DU . .
H34A H 0.8561 0.8465 0.8483 0.042 Uiso 1 1 d R A .
O1W O 0.5947(6) 1.2463(6) 0.9255(5) 0.021(2) Uani 1 1 d . . .
H1WA H 0.5723 1.2759 0.9623 0.032 Uiso 1 1 d R A .
H1WB H 0.5546 1.2392 0.8974 0.032 Uiso 1 1 d R . .
O2W O 0.5738(7) 0.9092(7) 1.0477(6) 0.028(2) Uani 1 1 d . . .
H2WA H 0.5806 0.9521 1.0724 0.042 Uiso 1 1 d R A .
H2WB H 0.5201 0.8944 1.0575 0.042 Uiso 1 1 d R . .
O3W O 0.6147(7) 0.4301(6) 0.9465(6) 0.024(2) Uani 1 1 d . . .
H3WA H 0.5652 0.4477 0.9713 0.037 Uiso 1 1 d R A .
H3WB H 0.6239 0.4600 0.9057 0.037 Uiso 1 1 d R . .
O4W O 0.9333(7) 0.3959(6) 1.0099(6) 0.023(2) Uani 1 1 d . . .
H4WA H 0.9070 0.3498 1.0165 0.035 Uiso 1 1 d R A .
H4WB H 0.9668 0.3970 0.9682 0.035 Uiso 1 1 d R . .
O5W O 0.4902(8) 0.6009(8) 0.9040(7) 0.045(3) Uani 1 1 d . . .
H5WA H 0.5089 0.6451 0.8791 0.068 Uiso 1 1 d R . .
H5WB H 0.4676 0.6133 0.9480 0.068 Uiso 1 1 d R . .
O6W O 0.9038(8) 1.1841(7) 0.9481(7) 0.042(3) Uani 1 1 d . . .
H6WA H 0.8866 1.1754 0.9945 0.063 Uiso 1 1 d R A .
H6WB H 0.9400 1.2232 0.9408 0.063 Uiso 1 1 d R . .
O7W O 0.9929(9) 0.9171(9) 0.9508(7) 0.052(4) Uani 1 1 d . . .
H7WB H 0.9592 0.9340 0.9166 0.077 Uiso 1 1 d R . .
H7WA H 1.0228 0.8694 0.9406 0.077 Uiso 0.49(2) 1 d PR A 1
H7WC H 0.9713 0.8753 0.9776 0.077 Uiso 0.51(2) 1 d PR A 2


_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
Lu1 O18 2.429(10) . ?
Lu1 O23 2.490(9) . ?
Lu1 O20 2.512(9) . ?
Lu1 O34 2.535(10) . ?
Lu1 O30 2.550(9) . ?
Lu1 O32 2.564(8) . ?
Lu1 O21 2.583(9) . ?
Lu1 O31 2.600(9) . ?
Lu1 O2W 2.647(10) . ?
Lu2 O16 2.434(10) . ?
Lu2 O24 2.509(10) . ?
Lu2 O14 2.516(10) 1_565 ?
Lu2 O25 2.538(9) 1_565 ?
Lu2 O29 2.568(8) . ?
Lu2 O6W 2.594(10) . ?
Lu2 O1W 2.597(9) . ?
Lu2 O22 2.612(9) 2_677 ?
Lu2 O30 2.768(8) . ?
Lu3 O17 2.429(9) . ?
Lu3 O26 2.462(9) . ?
Lu3 O27 2.498(9) . ?
Lu3 O13 2.563(9) . ?
Lu3 O19 2.569(8) . ?
Lu3 O4W 2.601(9) . ?
Lu3 O33 2.608(9) . ?
Lu3 O32 2.697(8) . ?
Lu3 O3W 2.717(10) . ?
Lu3 C52 2.980(13) . ?
Ag1 N2 2.124(12) 1_564 ?
Ag1 N1 2.149(12) . ?
Ag2 N8 2.125(12) 1_554 ?
Ag2 N7 2.140(12) . ?
Ag2 O5B 2.55(3) . ?
Ag3 N5 2.162(12) . ?
Ag3 N6 2.189(13) 2_676 ?
Ag4 N4 2.154(12) . ?
Ag4 N3 2.177(13) 1_554 ?
C1 C2 1.36(2) . ?
C1 N1 1.369(19) . ?
C1 H1 0.9300 . ?
C2 C3 1.369(19) . ?
C2 H2 0.9300 . ?
C3 C4 1.432(19) . ?
C3 C6 1.483(18) . ?
C4 C5 1.35(2) . ?
C4 H4 0.9300 . ?
C5 N1 1.315(19) . ?
C5 H5 0.9300 . ?
C6 O15 1.239(15) . ?
C6 O16 1.271(16) . ?
C7 N2 1.337(19) . ?
C7 C8 1.38(2) . ?
C7 H7 0.9300 . ?
C8 C9 1.402(19) . ?
C8 H8 0.9300 . ?
C9 C10 1.362(19) . ?
C9 C12 1.509(17) . ?
C10 C11 1.36(2) . ?
C10 H10 0.9300 . ?
C11 N2 1.320(19) . ?
C11 H11 0.9300 . ?
C12 O14 1.195(16) . ?
C12 O13 1.266(15) . ?
C13 O17 1.229(16) . ?
C13 O18 1.296(16) . ?
C13 C14 1.530(18) . ?
C14 C15 1.35(2) . ?
C14 C18 1.36(2) . ?
C15 C16 1.37(2) . ?
C15 H15 0.9300 . ?
C16 N3 1.33(2) . ?
C16 H16 0.9300 . ?
C17 C18 1.33(2) . ?
C17 N3 1.38(2) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 O20 1.245(16) . ?
C19 O19 1.260(15) . ?
C19 C20 1.498(18) . ?
C20 C24 1.35(2) . ?
C20 C21 1.41(2) . ?
C21 C22 1.39(2) . ?
C21 H21 0.9300 . ?
C22 N4 1.32(2) . ?
C22 H22 0.9300 . ?
C23 N4 1.34(2) . ?
C23 C24 1.38(2) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 O21 1.238(15) . ?
C25 O22 1.252(16) . ?
C25 C26 1.513(18) . ?
C26 C30 1.373(19) . ?
C26 C27 1.394(18) . ?
C27 C28 1.33(2) . ?
C27 H27 0.9300 . ?
C28 N5 1.37(2) . ?
C28 H28 0.9300 . ?
C29 N5 1.341(18) . ?
C29 C30 1.352(19) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 O24 1.235(16) . ?
C31 O23 1.285(15) . ?
C31 C32 1.479(18) . ?
C32 C36 1.37(2) . ?
C32 C33 1.415(18) . ?
C33 C34 1.31(2) . ?
C33 H33 0.9300 . ?
C34 N6 1.38(2) . ?
C34 H34 0.9300 . ?
C35 N6 1.32(2) . ?
C35 C36 1.39(2) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 O25 1.236(16) . ?
C37 O26 1.251(16) . ?
C37 C38 1.483(18) . ?
C38 C39 1.357(19) . ?
C38 C42 1.409(18) . ?
C39 C40 1.404(18) . ?
C39 H39 0.9300 . ?
C40 N7 1.360(19) . ?
C40 H40 0.9300 . ?
C41 N7 1.31(2) . ?
C41 C42 1.33(2) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C43 N8 1.35(2) . ?
C43 C44 1.37(2) . ?
C43 H43 0.9300 . ?
C44 C45 1.390(19) . ?
C44 H44 0.9300 . ?
C45 C46 1.42(2) . ?
C45 C48 1.471(18) . ?
C46 C47 1.34(2) . ?
C46 H46 0.9300 . ?
C47 N8 1.38(2) . ?
C47 H47 0.9300 . ?
C48 O28 1.239(17) . ?
C48 O27 1.258(16) . ?
C49 O29 1.258(16) . ?
C49 O30 1.276(16) . ?
C49 C50B 1.50(3) . ?
C49 C50A 1.60(3) . ?
C50A O31 1.424(19) . ?
C50A C51A 1.466(19) . ?
C50A H50A 0.9800 . ?
C51A H51A 0.9600 . ?
C51A H51B 0.9600 . ?
C51A H51C 0.9600 . ?
C50B O31 1.420(19) . ?
C50B C51B 1.462(18) . ?
C50B H50B 0.9800 . ?
C51B H51D 0.9600 . ?
C51B H51E 0.9600 . ?
C51B H51F 0.9600 . ?
C52 O32 1.244(16) . ?
C52 O33 1.256(15) . ?
C52 C53A 1.55(3) . ?
C52 C53B 1.59(4) . ?
C53A O34 1.428(19) . ?
C53A C54A 1.464(18) . ?
C53A H53A 0.9800 . ?
C54A H54A 0.9600 . ?
C54A H54B 0.9600 . ?
C54A H54C 0.9600 . ?
C53B O34 1.43(2) . ?
C53B C54B 1.465(19) . ?
C53B H53B 0.9800 . ?
C54B H54D 0.9600 . ?
C54B H54E 0.9600 . ?
C54B H54F 0.9600 . ?
Cl1 O1 1.39(2) . ?
Cl1 O3 1.406(18) . ?
Cl1 O2 1.457(16) . ?
Cl1 O4 1.461(19) . ?
N2 Ag1 2.124(12) 1_546 ?
N3 Ag4 2.177(13) 1_556 ?
N6 Ag3 2.189(13) 2_676 ?
N8 Ag2 2.125(12) 1_556 ?
Cl2 O7 1.377(17) . ?
Cl2 O6 1.381(15) . ?
Cl2 O5 1.392(15) . ?
Cl2 O8 1.419(16) . ?
Cl2B O5B 1.388(17) . ?
Cl2B O6B 1.388(17) . ?
Cl2B O7B 1.389(17) . ?
Cl2B O8B 1.402(17) . ?
O14 Lu2 2.516(10) 1_545 ?
O22 Lu2 2.612(9) 2_677 ?
O25 Lu2 2.538(9) 1_545 ?
O31 H31A 0.8212 . ?
O34 H34A 0.8193 . ?
O1W H1WA 0.8197 . ?
O1W H1WB 0.8180 . ?
O2W H2WA 0.8207 . ?
O2W H2WB 0.8200 . ?
O3W H3WA 0.8175 . ?
O3W H3WB 0.8178 . ?
O4W H4WA 0.8186 . ?
O4W H4WB 0.8203 . ?
O5W H5WA 0.8204 . ?
O5W H5WB 0.8194 . ?
O6W H6WA 0.8196 . ?
O6W H6WB 0.8182 . ?
O7W H7WB 0.8221 . ?
O7W H7WA 0.8208 . ?
O7W H7WC 0.8210 . ?

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
O18 Lu1 O23 143.8(3) . . ?
O18 Lu1 O20 94.3(3) . . ?
O23 Lu1 O20 82.2(3) . . ?
O18 Lu1 O34 134.1(3) . . ?
O23 Lu1 O34 79.8(3) . . ?
O20 Lu1 O34 74.3(3) . . ?
O18 Lu1 O30 122.2(3) . . ?
O23 Lu1 O30 71.2(3) . . ?
O20 Lu1 O30 143.2(3) . . ?
O34 Lu1 O30 76.2(3) . . ?
O18 Lu1 O32 73.9(3) . . ?
O23 Lu1 O32 134.4(3) . . ?
O20 Lu1 O32 66.8(3) . . ?
O34 Lu1 O32 60.6(3) . . ?
O30 Lu1 O32 115.6(3) . . ?
O18 Lu1 O21 72.3(3) . . ?
O23 Lu1 O21 72.7(3) . . ?
O20 Lu1 O21 70.0(3) . . ?
O34 Lu1 O21 137.2(3) . . ?
O30 Lu1 O21 122.4(3) . . ?
O32 Lu1 O21 121.7(3) . . ?
O18 Lu1 O31 76.3(3) . . ?
O23 Lu1 O31 131.0(3) . . ?
O20 Lu1 O31 133.1(3) . . ?
O34 Lu1 O31 80.0(3) . . ?
O30 Lu1 O31 60.8(3) . . ?
O32 Lu1 O31 66.4(3) . . ?
O21 Lu1 O31 142.5(3) . . ?
O18 Lu1 O2W 72.6(3) . . ?
O23 Lu1 O2W 87.4(3) . . ?
O20 Lu1 O2W 140.7(3) . . ?
O34 Lu1 O2W 140.7(3) . . ?
O30 Lu1 O2W 64.4(3) . . ?
O32 Lu1 O2W 137.5(3) . . ?
O21 Lu1 O2W 70.7(3) . . ?
O31 Lu1 O2W 80.8(3) . . ?
O16 Lu2 O24 76.3(3) . . ?
O16 Lu2 O14 145.9(4) . 1_565 ?
O24 Lu2 O14 137.1(3) . 1_565 ?
O16 Lu2 O25 75.0(3) . 1_565 ?
O24 Lu2 O25 95.8(3) . 1_565 ?
O14 Lu2 O25 91.3(3) 1_565 1_565 ?
O16 Lu2 O29 92.4(3) . . ?
O24 Lu2 O29 118.3(3) . . ?
O14 Lu2 O29 78.1(3) 1_565 . ?
O25 Lu2 O29 140.0(3) 1_565 . ?
O16 Lu2 O6W 75.7(4) . . ?
O24 Lu2 O6W 150.9(4) . . ?
O14 Lu2 O6W 70.2(4) 1_565 . ?
O25 Lu2 O6W 69.3(3) 1_565 . ?
O29 Lu2 O6W 70.7(3) . . ?
O16 Lu2 O1W 123.9(3) . . ?
O24 Lu2 O1W 70.3(3) . . ?
O14 Lu2 O1W 74.6(3) 1_565 . ?
O25 Lu2 O1W 65.4(3) 1_565 . ?
O29 Lu2 O1W 143.1(3) . . ?
O6W Lu2 O1W 120.7(3) . . ?
O16 Lu2 O22 139.1(3) . 2_677 ?
O24 Lu2 O22 76.5(3) . 2_677 ?
O14 Lu2 O22 70.2(3) 1_565 2_677 ?
O25 Lu2 O22 137.8(3) 1_565 2_677 ?
O29 Lu2 O22 74.6(3) . 2_677 ?
O6W Lu2 O22 131.4(3) . 2_677 ?
O1W Lu2 O22 73.1(3) . 2_677 ?
O16 Lu2 O30 72.2(3) . . ?
O24 Lu2 O30 70.3(3) . . ?
O14 Lu2 O30 119.9(3) 1_565 . ?
O25 Lu2 O30 146.6(3) 1_565 . ?
O29 Lu2 O30 48.9(3) . . ?
O6W Lu2 O30 108.1(3) . . ?
O1W Lu2 O30 130.8(3) . . ?
O22 Lu2 O30 70.1(3) 2_677 . ?
O17 Lu3 O26 141.8(3) . . ?
O17 Lu3 O27 77.9(3) . . ?
O26 Lu3 O27 134.3(3) . . ?
O17 Lu3 O13 75.9(3) . . ?
O26 Lu3 O13 89.6(3) . . ?
O27 Lu3 O13 78.9(3) . . ?
O17 Lu3 O19 87.0(3) . . ?
O26 Lu3 O19 79.0(3) . . ?
O27 Lu3 O19 137.4(3) . . ?
O13 Lu3 O19 135.6(3) . . ?
O17 Lu3 O4W 139.1(3) . . ?
O26 Lu3 O4W 66.3(3) . . ?
O27 Lu3 O4W 68.1(3) . . ?
O13 Lu3 O4W 75.8(3) . . ?
O19 Lu3 O4W 133.7(3) . . ?
O17 Lu3 O33 124.2(3) . . ?
O26 Lu3 O33 86.2(3) . . ?
O27 Lu3 O33 81.2(3) . . ?
O13 Lu3 O33 147.6(3) . . ?
O19 Lu3 O33 74.9(3) . . ?
O4W Lu3 O33 73.2(3) . . ?
O17 Lu3 O32 75.0(3) . . ?
O26 Lu3 O32 128.6(3) . . ?
O27 Lu3 O32 70.8(3) . . ?
O13 Lu3 O32 141.5(3) . . ?
O19 Lu3 O32 66.9(3) . . ?
O4W Lu3 O32 112.4(3) . . ?
O33 Lu3 O32 49.3(3) . . ?
O17 Lu3 O3W 68.3(3) . . ?
O26 Lu3 O3W 73.9(3) . . ?
O27 Lu3 O3W 140.8(3) . . ?
O13 Lu3 O3W 74.3(3) . . ?
O19 Lu3 O3W 61.3(3) . . ?
O4W Lu3 O3W 129.6(3) . . ?
O33 Lu3 O3W 134.3(3) . . ?
O32 Lu3 O3W 116.4(3) . . ?
O17 Lu3 C52 99.6(3) . . ?
O26 Lu3 C52 106.7(3) . . ?
O27 Lu3 C52 77.2(3) . . ?
O13 Lu3 C52 156.1(3) . . ?
O19 Lu3 C52 66.4(3) . . ?
O4W Lu3 C52 94.5(3) . . ?
O33 Lu3 C52 24.9(3) . . ?
O32 Lu3 C52 24.7(3) . . ?
O3W Lu3 C52 126.5(3) . . ?
N2 Ag1 N1 171.3(5) 1_564 . ?
N8 Ag2 N7 167.2(6) 1_554 . ?
N8 Ag2 O5B 97.1(13) 1_554 . ?
N7 Ag2 O5B 95.6(13) . . ?
N5 Ag3 N6 172.1(5) . 2_676 ?
N4 Ag4 N3 177.6(6) . 1_554 ?
C2 C1 N1 123.5(14) . . ?
C2 C1 H1 118.2 . . ?
N1 C1 H1 118.2 . . ?
C1 C2 C3 119.3(14) . . ?
C1 C2 H2 120.3 . . ?
C3 C2 H2 120.4 . . ?
C2 C3 C4 117.8(13) . . ?
C2 C3 C6 121.9(12) . . ?
C4 C3 C6 120.3(12) . . ?
C5 C4 C3 117.6(14) . . ?
C5 C4 H4 121.2 . . ?
C3 C4 H4 121.2 . . ?
N1 C5 C4 125.8(14) . . ?
N1 C5 H5 117.1 . . ?
C4 C5 H5 117.1 . . ?
O15 C6 O16 125.5(12) . . ?
O15 C6 C3 118.0(12) . . ?
O16 C6 C3 116.4(11) . . ?
N2 C7 C8 124.0(14) . . ?
N2 C7 H7 118.0 . . ?
C8 C7 H7 118.0 . . ?
C7 C8 C9 118.2(13) . . ?
C7 C8 H8 120.9 . . ?
C9 C8 H8 120.9 . . ?
C10 C9 C8 117.1(13) . . ?
C10 C9 C12 121.4(12) . . ?
C8 C9 C12 121.4(12) . . ?
C11 C10 C9 120.2(14) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
N2 C11 C10 124.5(15) . . ?
N2 C11 H11 117.8 . . ?
C10 C11 H11 117.8 . . ?
O14 C12 O13 126.1(12) . . ?
O14 C12 C9 117.8(12) . . ?
O13 C12 C9 116.1(12) . . ?
O17 C13 O18 124.9(12) . . ?
O17 C13 C14 118.6(12) . . ?
O18 C13 C14 116.4(12) . . ?
C15 C14 C18 117.5(14) . . ?
C15 C14 C13 120.3(13) . . ?
C18 C14 C13 121.9(13) . . ?
C14 C15 C16 120.1(16) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
N3 C16 C15 122.2(16) . . ?
N3 C16 H16 118.9 . . ?
C15 C16 H16 118.9 . . ?
C18 C17 N3 119.8(16) . . ?
C18 C17 H17 120.1 . . ?
N3 C17 H17 120.1 . . ?
C17 C18 C14 122.7(17) . . ?
C17 C18 H18 118.7 . . ?
C14 C18 H18 118.7 . . ?
O20 C19 O19 126.2(12) . . ?
O20 C19 C20 115.3(11) . . ?
O19 C19 C20 118.4(12) . . ?
C24 C20 C21 119.2(13) . . ?
C24 C20 C19 121.8(13) . . ?
C21 C20 C19 118.9(13) . . ?
C22 C21 C20 116.3(15) . . ?
C22 C21 H21 121.8 . . ?
C20 C21 H21 121.8 . . ?
N4 C22 C21 124.3(15) . . ?
N4 C22 H22 117.8 . . ?
C21 C22 H22 117.8 . . ?
N4 C23 C24 121.5(15) . . ?
N4 C23 H23 119.3 . . ?
C24 C23 H23 119.3 . . ?
C20 C24 C23 120.4(15) . . ?
C20 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
O21 C25 O22 124.0(12) . . ?
O21 C25 C26 117.9(12) . . ?
O22 C25 C26 118.0(11) . . ?
C30 C26 C27 116.1(13) . . ?
C30 C26 C25 122.3(12) . . ?
C27 C26 C25 121.6(13) . . ?
C28 C27 C26 120.6(15) . . ?
C28 C27 H27 119.7 . . ?
C26 C27 H27 119.7 . . ?
C27 C28 N5 123.8(15) . . ?
C27 C28 H28 118.1 . . ?
N5 C28 H28 118.1 . . ?
N5 C29 C30 123.8(14) . . ?
N5 C29 H29 118.1 . . ?
C30 C29 H29 118.1 . . ?
C29 C30 C26 120.6(13) . . ?
C29 C30 H30 119.7 . . ?
C26 C30 H30 119.7 . . ?
O24 C31 O23 124.5(12) . . ?
O24 C31 C32 120.3(11) . . ?
O23 C31 C32 115.2(12) . . ?
C36 C32 C33 115.6(13) . . ?
C36 C32 C31 122.9(12) . . ?
C33 C32 C31 121.5(13) . . ?
C34 C33 C32 121.3(15) . . ?
C34 C33 H33 119.4 . . ?
C32 C33 H33 119.4 . . ?
C33 C34 N6 122.1(15) . . ?
C33 C34 H34 119.0 . . ?
N6 C34 H34 119.0 . . ?
N6 C35 C36 120.4(16) . . ?
N6 C35 H35 119.8 . . ?
C36 C35 H35 119.8 . . ?
C32 C36 C35 121.8(14) . . ?
C32 C36 H36 119.1 . . ?
C35 C36 H36 119.1 . . ?
O25 C37 O26 125.2(12) . . ?
O25 C37 C38 117.3(12) . . ?
O26 C37 C38 117.5(12) . . ?
C39 C38 C42 117.1(13) . . ?
C39 C38 C37 121.9(12) . . ?
C42 C38 C37 121.0(12) . . ?
C38 C39 C40 120.0(13) . . ?
C38 C39 H39 120.0 . . ?
C40 C39 H39 120.0 . . ?
N7 C40 C39 121.1(14) . . ?
N7 C40 H40 119.5 . . ?
C39 C40 H40 119.5 . . ?
N7 C41 C42 125.1(15) . . ?
N7 C41 H41 117.4 . . ?
C42 C41 H41 117.4 . . ?
C41 C42 C38 119.4(14) . . ?
C41 C42 H42 120.3 . . ?
C38 C42 H42 120.3 . . ?
N8 C43 C44 121.6(15) . . ?
N8 C43 H43 119.2 . . ?
C44 C43 H43 119.2 . . ?
C43 C44 C45 121.6(15) . . ?
C43 C44 H44 119.2 . . ?
C45 C44 H44 119.2 . . ?
C44 C45 C46 116.0(13) . . ?
C44 C45 C48 122.9(13) . . ?
C46 C45 C48 121.1(13) . . ?
C47 C46 C45 120.7(15) . . ?
C47 C46 H46 119.6 . . ?
C45 C46 H46 119.6 . . ?
C46 C47 N8 122.2(15) . . ?
C46 C47 H47 118.9 . . ?
N8 C47 H47 118.9 . . ?
O28 C48 O27 125.6(12) . . ?
O28 C48 C45 119.1(12) . . ?
O27 C48 C45 115.3(13) . . ?
O29 C49 O30 122.1(11) . . ?
O29 C49 C50B 120.4(12) . . ?
O30 C49 C50B 116.6(13) . . ?
O29 C49 C50A 117.1(12) . . ?
O30 C49 C50A 119.0(12) . . ?
O31 C50A C51A 106(2) . . ?
O31 C50A C49 103.6(17) . . ?
C51A C50A C49 105(2) . . ?
O31 C50A H50A 113.5 . . ?
C51A C50A H50A 113.5 . . ?
C49 C50A H50A 113.5 . . ?
O31 C50B C51B 120(2) . . ?
O31 C50B C49 108.8(18) . . ?
C51B C50B C49 112(2) . . ?
O31 C50B H50B 104.8 . . ?
C51B C50B H50B 104.8 . . ?
C49 C50B H50B 104.8 . . ?
C50B C51B H51D 109.5 . . ?
C50B C51B H51E 109.5 . . ?
H51D C51B H51E 109.5 . . ?
C50B C51B H51F 109.5 . . ?
H51D C51B H51F 109.5 . . ?
H51E C51B H51F 109.5 . . ?
O32 C52 O33 124.5(12) . . ?
O32 C52 C53A 117.4(12) . . ?
O33 C52 C53A 117.7(13) . . ?
O32 C52 C53B 118.6(12) . . ?
O33 C52 C53B 114.8(13) . . ?
O32 C52 Lu3 64.8(7) . . ?
O33 C52 Lu3 60.8(7) . . ?
C53A C52 Lu3 175.5(11) . . ?
C53B C52 Lu3 153.7(15) . . ?
O34 C53A C54A 109.3(16) . . ?
O34 C53A C52 105.6(15) . . ?
C54A C53A C52 111.7(19) . . ?
O34 C53A H53A 110.1 . . ?
C54A C53A H53A 110.1 . . ?
C52 C53A H53A 110.1 . . ?
O34 C53B C54B 112(3) . . ?
O34 C53B C52 103(2) . . ?
C54B C53B C52 113(3) . . ?
O34 C53B H53B 109.5 . . ?
C54B C53B H53B 109.5 . . ?
C52 C53B H53B 109.5 . . ?
C53B C54B H54D 109.5 . . ?
C53B C54B H54E 109.5 . . ?
H54D C54B H54E 109.5 . . ?
C53B C54B H54F 109.5 . . ?
H54D C54B H54F 109.5 . . ?
H54E C54B H54F 109.5 . . ?
O1 Cl1 O3 107.7(15) . . ?
O1 Cl1 O2 107.8(14) . . ?
O3 Cl1 O2 104.5(12) . . ?
O1 Cl1 O4 120.4(14) . . ?
O3 Cl1 O4 114.2(11) . . ?
O2 Cl1 O4 100.6(13) . . ?
C5 N1 C1 115.9(13) . . ?
C5 N1 Ag1 118.9(10) . . ?
C1 N1 Ag1 125.2(10) . . ?
C11 N2 C7 115.9(13) . . ?
C11 N2 Ag1 124.1(10) . 1_546 ?
C7 N2 Ag1 120.0(10) . 1_546 ?
C16 N3 C17 117.7(14) . . ?
C16 N3 Ag4 123.2(12) . 1_556 ?
C17 N3 Ag4 118.9(11) . 1_556 ?
C22 N4 C23 118.1(13) . . ?
C22 N4 Ag4 121.3(11) . . ?
C23 N4 Ag4 120.6(11) . . ?
C29 N5 C28 115.1(13) . . ?
C29 N5 Ag3 123.8(10) . . ?
C28 N5 Ag3 121.1(10) . . ?
C35 N6 C34 118.8(14) . . ?
C35 N6 Ag3 119.0(12) . 2_676 ?
C34 N6 Ag3 122.1(10) . 2_676 ?
C41 N7 C40 116.9(13) . . ?
C41 N7 Ag2 119.6(10) . . ?
C40 N7 Ag2 123.3(10) . . ?
C43 N8 C47 117.9(13) . . ?
C43 N8 Ag2 125.2(11) . 1_556 ?
C47 N8 Ag2 117.0(10) . 1_556 ?
O7 Cl2 O6 111.8(11) . . ?
O7 Cl2 O5 110.4(11) . . ?
O6 Cl2 O5 111.1(11) . . ?
O7 Cl2 O8 108.6(11) . . ?
O6 Cl2 O8 107.6(11) . . ?
O5 Cl2 O8 107.2(11) . . ?
O5B Cl2B O6B 110.5(12) . . ?
O5B Cl2B O7B 109.7(12) . . ?
O6B Cl2B O7B 109.9(12) . . ?
O5B Cl2B O8B 108.9(12) . . ?
O6B Cl2B O8B 108.8(12) . . ?
O7B Cl2B O8B 109.0(12) . . ?
Cl2B O5B Ag2 168(3) . . ?
C12 O13 Lu3 133.3(9) . . ?
C12 O14 Lu2 171.6(11) . 1_545 ?
C6 O16 Lu2 166.6(10) . . ?
C13 O17 Lu3 135.0(9) . . ?
C13 O18 Lu1 142.7(9) . . ?
C19 O19 Lu3 145.4(8) . . ?
C19 O20 Lu1 148.6(8) . . ?
C25 O21 Lu1 132.6(8) . . ?
C25 O22 Lu2 130.9(8) . 2_677 ?
C31 O23 Lu1 146.2(9) . . ?
C31 O24 Lu2 132.1(9) . . ?
C37 O25 Lu2 137.0(8) . 1_545 ?
C37 O26 Lu3 143.8(9) . . ?
C48 O27 Lu3 153.5(9) . . ?
C49 O29 Lu2 99.2(7) . . ?
C49 O30 Lu1 125.6(8) . . ?
C49 O30 Lu2 89.4(7) . . ?
Lu1 O30 Lu2 143.8(3) . . ?
C50B O31 Lu1 119.2(10) . . ?
C50A O31 Lu1 127.4(12) . . ?
C50B O31 H31A 111.6 . . ?
C50A O31 H31A 95.4 . . ?
Lu1 O31 H31A 128.5 . . ?
C52 O32 Lu1 125.1(8) . . ?
C52 O32 Lu3 90.5(7) . . ?
Lu1 O32 Lu3 135.7(4) . . ?
C52 O33 Lu3 94.4(8) . . ?
C53A O34 Lu1 126.6(10) . . ?
C53B O34 Lu1 124.8(15) . . ?
C53A O34 H34A 116.0 . . ?
C53B O34 H34A 118.7 . . ?
Lu1 O34 H34A 115.3 . . ?
Lu2 O1W H1WA 118.6 . . ?
Lu2 O1W H1WB 123.3 . . ?
H1WA O1W H1WB 111.0 . . ?
Lu1 O2W H2WA 136.0 . . ?
Lu1 O2W H2WB 113.3 . . ?
H2WA O2W H2WB 110.6 . . ?
Lu3 O3W H3WA 118.1 . . ?
Lu3 O3W H3WB 86.2 . . ?
H3WA O3W H3WB 111.1 . . ?
Lu3 O4W H4WA 90.7 . . ?
Lu3 O4W H4WB 105.6 . . ?
H4WA O4W H4WB 110.7 . . ?
H5WA O5W H5WB 110.8 . . ?
Lu2 O6W H6WA 79.0 . . ?
Lu2 O6W H6WB 150.2 . . ?
H6WA O6W H6WB 111.2 . . ?
H7WB O7W H7WA 110.4 . . ?
H7WB O7W H7WC 110.4 . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        25.20
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         1.501
_refine_diff_density_min         -1.259
_refine_diff_density_rms         0.342

# start Validation Reply Form
_vrf_PLAT220_6b                  
;
PROBLEM:
RESPONSE: The oxygen atoms in question belong to a disordered
perchlorate anion.
;

# end Validation Reply Form

data_3
_database_code_depnum_ccdc_archive 'CCDC 713257'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C37 H30 Ag3 Eu2 N7 O20, Cl O4, 2(H2 O)'
_chemical_formula_sum            'C37 H34 Ag3 Cl Eu2 N7 O26'
_chemical_formula_weight         1655.69

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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 '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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   8.3624(5)
_cell_length_b                   16.903(1)
_cell_length_c                   17.3261(10)
_cell_angle_alpha                93.234(4)
_cell_angle_beta                 97.017(4)
_cell_angle_gamma                100.010(4)
_cell_volume                     2386.1(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    6798
_cell_measurement_theta_min      1.26
_cell_measurement_theta_max      28.00

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.304
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1594
_exptl_absorpt_coefficient_mu    3.955
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4196
_exptl_absorpt_correction_T_max  0.4827
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
In the initial refinement with disorder not taken into
account, one of pyridine moiety showed
significantly elongated thermal ellipsoids indicating
disorder, and was thus refined as being disordered
over two positions in a one to one ratio.
The ADPs of the disordered atoms were restrained to be
close to isotropic and those of equivalent atoms were
set to be identical.
Carbon-bound H atoms were placed at calculated
positions and were treated as riding on the parent C
atoms. The
water H atoms were located in a difference Fourier map,
and were refined with
distance restraints of O--H 0.83+-0.01 Å and H...H
1.35+-0.01 Å, and finally were refined with a riding model.
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II area-detector diffractometer'
_diffrn_measurement_method       'φ and ω scan'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            28848
_diffrn_reflns_av_R_equivalents  0.0720
_diffrn_reflns_av_sigmaI/netI    0.0844
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.19
_diffrn_reflns_theta_max         25.20
_reflns_number_total             8501
_reflns_number_gt                6200
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Apex2 v2.1-4 (Bruker, 2007)'
_computing_cell_refinement       'Apex2 v2.1-4'
_computing_data_reduction        'Apex2 v2.1-4'
_computing_structure_solution    'SHELXTL 6.14 (Bruker, 2000-2003)'
_computing_structure_refinement  'SHELXTL 6.14'
_computing_molecular_graphics    'SHELXTL 6.14'
_computing_publication_material  'SHELXTL 6.14'

_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)+(0.0482P)²+31.9763P] 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         8501
_refine_ls_number_parameters     667
_refine_ls_number_restraints     63
_refine_ls_R_factor_all          0.1267
_refine_ls_R_factor_gt           0.1008
_refine_ls_wR_factor_ref         0.2664
_refine_ls_wR_factor_gt          0.2539
_refine_ls_goodness_of_fit_ref   1.131
_refine_ls_restrained_S_all      1.130
_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 0.32922(11) 0.01684(5) 0.11256(5) 0.0237(2) Uani 1 1 d . . .
Eu2 Eu 0.15437(11) 0.00246(6) 0.39749(5) 0.0239(2) Uani 1 1 d . . .
Ag1 Ag -0.2273(3) 0.48392(11) 0.40783(15) 0.0655(6) Uani 1 1 d . . .
Ag2 Ag 0.4402(3) 0.51553(12) 0.26425(16) 0.0792(8) Uani 1 1 d . . .
Ag3 Ag 0.8452(3) 0.49032(12) -0.08270(16) 0.0751(7) Uani 1 1 d . . .
C1 C -0.278(4) 0.3125(14) 0.4681(18) 0.075(9) Uani 1 1 d . . .
H1 H -0.3242 0.3397 0.5053 0.090 Uiso 1 1 calc R . .
C2 C -0.268(4) 0.2334(16) 0.477(2) 0.0791(15) Uani 1 1 d . . .
H2 H -0.3202 0.2055 0.5141 0.095 Uiso 1 1 calc R . .
C3 C -0.182(2) 0.1972(11) 0.4304(12) 0.030(4) Uani 1 1 d . . .
C4 C -0.118(3) 0.2400(12) 0.3702(14) 0.047(6) Uani 1 1 d . . .
H4 H -0.0581 0.2161 0.3366 0.057 Uiso 1 1 calc R . .
C5 C -0.144(3) 0.3175(13) 0.3619(14) 0.054(7) Uani 1 1 d . . .
H5 H -0.1024 0.3453 0.3218 0.065 Uiso 1 1 calc R . .
C6 C -0.138(2) 0.1133(11) 0.4457(10) 0.026(4) Uani 1 1 d . . .
C7 C -0.327(3) 0.6458(13) 0.4556(15) 0.052(4) Uani 1 1 d . . .
H7 H -0.3952 0.6123 0.4836 0.062 Uiso 1 1 calc R . .
C8 C -0.316(3) 0.7280(13) 0.4692(15) 0.052(4) Uani 1 1 d . . .
H8 H -0.3738 0.7494 0.5054 0.062 Uiso 1 1 calc R . .
C9 C -0.217(3) 0.7764(13) 0.4270(15) 0.052(4) Uani 1 1 d . . .
C10 C -0.143(4) 0.7424(15) 0.3734(17) 0.077(9) Uani 1 1 d . . .
H10 H -0.0775 0.7750 0.3438 0.092 Uiso 1 1 calc R . .
C11 C -0.162(4) 0.6607(16) 0.3613(19) 0.076(9) Uani 1 1 d . . .
H11 H -0.1143 0.6389 0.3213 0.092 Uiso 1 1 calc R . .
C12 C -0.192(2) 0.8683(12) 0.4472(12) 0.030(5) Uani 1 1 d . . .
C13 C 0.033(2) 0.1393(12) 0.1565(11) 0.031(5) Uani 1 1 d . . .
C14 C 0.053(2) 0.2263(12) 0.1360(13) 0.033(5) Uani 1 1 d . . .
C15 C -0.038(3) 0.2787(13) 0.1644(14) 0.046(6) Uani 1 1 d . . .
H15A H -0.1182 0.2601 0.1949 0.055 Uiso 1 1 calc R . .
C16 C -0.012(3) 0.3567(14) 0.1488(16) 0.054(7) Uani 1 1 d . . .
H16 H -0.0748 0.3910 0.1696 0.064 Uiso 1 1 calc R . .
C17 C 0.183(4) 0.3348(15) 0.0751(19) 0.070(8) Uani 1 1 d . . .
H17 H 0.2608 0.3547 0.0438 0.084 Uiso 1 1 calc R . .
C18 C 0.164(3) 0.2549(14) 0.0868(16) 0.052(7) Uani 1 1 d . . .
H18 H 0.2233 0.2212 0.0629 0.063 Uiso 1 1 calc R . .
C19 C 0.371(2) 0.1304(11) 0.2780(11) 0.027(4) Uani 1 1 d . . .
C20 C 0.403(2) 0.2212(10) 0.2770(11) 0.025(4) Uani 1 1 d . . .
C21 C 0.328(4) 0.2683(14) 0.3234(17) 0.068(5) Uani 1 1 d . . .
H21 H 0.2662 0.2446 0.3599 0.082 Uiso 1 1 calc R . .
C22 C 0.343(4) 0.3472(14) 0.3168(17) 0.068(5) Uani 1 1 d . . .
H22 H 0.2828 0.3764 0.3454 0.082 Uiso 1 1 calc R . .
C23 C 0.522(4) 0.3434(14) 0.2266(17) 0.068(5) Uani 1 1 d . . .
H23 H 0.5930 0.3694 0.1948 0.082 Uiso 1 1 calc R . .
C24 C 0.502(3) 0.2605(13) 0.2277(13) 0.041(5) Uani 1 1 d . . .
H24 H 0.5547 0.2313 0.1952 0.049 Uiso 1 1 calc R . .
C25 C 0.579(2) 0.1361(11) 0.0143(11) 0.027(4) Uani 1 1 d . . .
C26 C 0.648(2) 0.2197(11) -0.0055(12) 0.030(5) Uani 1 1 d . . .
C27 C 0.578(3) 0.2849(13) 0.0120(15) 0.045(6) Uani 1 1 d . . .
H27 H 0.4897 0.2788 0.0406 0.054 Uiso 1 1 calc R . .
C28 C 0.636(3) 0.3591(13) -0.0123(17) 0.057(7) Uani 1 1 d . . .
H28 H 0.5828 0.4016 -0.0014 0.068 Uiso 1 1 calc R . .
C29 C 0.836(3) 0.3092(14) -0.0664(14) 0.048(6) Uani 1 1 d . . .
H29 H 0.9276 0.3181 -0.0926 0.058 Uiso 1 1 calc R . .
C30 C 0.786(2) 0.2334(12) -0.0472(12) 0.034(5) Uani 1 1 d . . .
H30 H 0.8392 0.1917 -0.0607 0.041 Uiso 1 1 calc R . .
C31 C 0.279(2) -0.1229(12) 0.2569(12) 0.033(5) Uani 1 1 d . . .
C32 C 0.327(2) -0.2049(13) 0.2566(10) 0.038(5) Uani 1 1 d D . .
C37 C -0.046(2) -0.0320(11) 0.0267(12) 0.031(5) Uani 1 1 d . . .
Cl1 Cl 0.7518(10) 0.5550(5) 0.1362(5) 0.080(2) Uani 1 1 d . . .
N1 N -0.225(2) 0.3531(11) 0.4085(13) 0.049(5) Uani 1 1 d . . .
N2 N -0.247(3) 0.6113(12) 0.4054(13) 0.056(6) Uani 1 1 d . . .
N3 N 0.443(3) 0.3868(11) 0.2699(13) 0.056(6) Uani 1 1 d . . .
N4 N 0.101(3) 0.3863(10) 0.1040(13) 0.052(5) Uani 1 1 d . . .
N6 N 0.402(3) -0.3608(12) 0.2567(13) 0.070(7) Uani 1 1 d D . .
N5 N 0.765(3) 0.3728(10) -0.0510(12) 0.050(5) Uani 1 1 d . . .
N7 N 0.176(2) 0.5005(11) 0.3947(11) 0.066(4) Uani 1 1 d DU . .
O1 O -0.210(2) 0.0792(9) 0.4968(9) 0.045(4) Uani 1 1 d . . .
O2 O -0.0428(18) 0.0895(9) 0.4079(9) 0.043(4) Uani 1 1 d . . .
O3 O -0.2643(17) 0.8938(8) 0.4967(8) 0.035(3) Uani 1 1 d . . .
O4 O -0.0893(16) 0.9108(8) 0.4099(9) 0.037(4) Uani 1 1 d . . .
O5 O 0.1432(18) 0.1022(9) 0.1408(9) 0.041(4) Uani 1 1 d . . .
O6 O -0.0883(18) 0.1115(9) 0.1873(10) 0.047(4) Uani 1 1 d . . .
O7 O 0.4900(17) 0.1328(8) 0.0689(8) 0.034(3) Uani 1 1 d . . .
O8 O 0.617(2) 0.0777(10) -0.0211(9) 0.049(4) Uani 1 1 d . . .
O9 O 0.2731(18) 0.1032(9) 0.3213(9) 0.042(4) Uani 1 1 d . . .
O10 O 0.4417(17) 0.0914(8) 0.2321(8) 0.036(3) Uani 1 1 d . . .
O11 O 0.2192(18) -0.1014(8) 0.3166(8) 0.036(3) Uani 1 1 d . . .
O12 O 0.3005(18) -0.0864(8) 0.1982(8) 0.039(4) Uani 1 1 d . . .
O13 O 0.095(3) 0.5208(15) 0.4425(14) 0.102(6) Uani 1 1 d DU . .
O14 O 0.109(3) 0.4803(11) 0.3262(12) 0.083(5) Uani 1 1 d DU . .
O15 O 0.329(2) 0.5166(12) 0.4127(14) 0.081(5) Uani 1 1 d DU . .
O16 O 0.586(3) 0.5144(17) 0.1028(18) 0.129(11) Uani 1 1 d . . .
O17 O 0.794(7) 0.5170(16) 0.206(2) 0.22(2) Uani 1 1 d . . .
O18 O 0.840(4) 0.5309(16) 0.0817(18) 0.142(12) Uani 1 1 d . . .
O19 O 0.782(4) 0.6392(15) 0.140(3) 0.192(16) Uani 1 1 d . . .
O21 O 0.0495(16) -0.0615(8) 0.0744(8) 0.034(3) Uani 1 1 d . . .
O22 O -0.1915(17) -0.0476(10) 0.0137(9) 0.045(4) Uani 1 1 d . . .
O1W O 0.6196(15) -0.0014(8) 0.1444(7) 0.031(3) Uani 1 1 d . . .
H1W H 0.6598 -0.0167 0.1065 0.046 Uiso 1 1 d R . .
H2W H 0.6948 0.0261 0.1761 0.046 Uiso 1 1 d R . .
O2W O 0.4476(14) 0.0129(10) 0.4217(9) 0.044(4) Uani 1 1 d . . .
H3W H 0.4679 -0.0170 0.3860 0.066 Uiso 1 1 d R . .
H4W H 0.3989 -0.0120 0.4528 0.066 Uiso 1 1 d R . .
O3W O -0.020(3) -0.0101(10) 0.2737(8) 0.078(7) Uani 1 1 d . . .
H6W H 0.0729 0.0204 0.2674 0.118 Uiso 1 1 d R . .
H5W H -0.0282 -0.0540 0.2469 0.118 Uiso 1 1 d R . .
O4W O 0.6256(19) 0.9644(12) 0.3146(9) 0.061(5) Uani 1 1 d . . .
H8W H 0.6358 1.0119 0.3013 0.092 Uiso 1 1 d R . .
H7W H 0.7194 0.9547 0.3269 0.092 Uiso 1 1 d R . .
O5W O 0.887(4) 0.8365(17) 0.1717(16) 0.126(11) Uani 1 1 d . . .
H9W H 0.8438 0.8597 0.1327 0.189 Uiso 1 1 d R . .
H10W H 0.8481 0.7872 0.1665 0.189 Uiso 1 1 d R . .
C33 C 0.204(5) -0.269(2) 0.2661(15) 0.053(9) Uani 0.50 1 d PDU . .
H33 H 0.0997 -0.2604 0.2739 0.064 Uiso 0.50 1 calc PR . .
C34 C 0.241(3) -0.346(3) 0.2635(19) 0.055(9) Uani 0.50 1 d PDU . .
H34 H 0.1581 -0.3892 0.2664 0.067 Uiso 0.50 1 calc PR . .
C35 C 0.505(3) -0.3007(14) 0.242(2) 0.030(6) Uani 0.50 1 d PDU . .
H35 H 0.6065 -0.3094 0.2312 0.036 Uiso 0.50 1 calc PR . .
C36 C 0.473(3) -0.2207(18) 0.2420(19) 0.029(6) Uani 0.50 1 d PDU . .
H36 H 0.5536 -0.1790 0.2316 0.035 Uiso 0.50 1 calc PR . .
C33' C 0.261(4) -0.261(2) 0.3050(19) 0.053(9) Uani 0.50 1 d PD . .
H33' H 0.1868 -0.2465 0.3368 0.064 Uiso 0.50 1 calc PR . .
C34' C 0.297(4) -0.335(3) 0.308(2) 0.055(9) Uani 0.50 1 d PD . .
H34' H 0.2543 -0.3693 0.3433 0.067 Uiso 0.50 1 calc PR . .
C35' C 0.471(4) -0.3070(16) 0.2173(19) 0.030(6) Uani 0.50 1 d PD . .
H35' H 0.5491 -0.3207 0.1878 0.036 Uiso 0.50 1 calc PR . .
C36' C 0.438(3) -0.2273(18) 0.2144(19) 0.029(6) Uani 0.50 1 d PD . .
H36' H 0.4926 -0.1913 0.1835 0.035 Uiso 0.50 1 calc PR . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O8 2.324(15) 2_655 ?
Eu1 O12 2.353(13) . ?
Eu1 O10 2.362(13) . ?
Eu1 O5 2.372(13) . ?
Eu1 O7 2.391(13) . ?
Eu1 O22 2.470(15) 2 ?
Eu1 O21 2.472(12) . ?
Eu1 O1W 2.499(12) . ?
Eu1 C37 3.22(2) 2 ?
Eu2 O11 2.362(13) . ?
Eu2 O9 2.369(13) . ?
Eu2 O4 2.376(13) 1_545 ?
Eu2 O1 2.405(14) 2_556 ?
Eu2 O2 2.409(14) . ?
Eu2 O2W 2.410(12) . ?
Eu2 O3W 2.417(15) . ?
Eu2 O3 2.438(13) 2_566 ?
Ag1 N2 2.190(19) . ?
Ag1 N1 2.216(18) . ?
Ag2 N6 2.177(19) 1_565 ?
Ag2 N3 2.188(18) . ?
Ag3 N5 2.108(17) . ?
Ag3 N4 2.119(17) 2_665 ?
C1 N1 1.35(3) . ?
C1 C2 1.37(3) . ?
C1 H1 0.9300 . ?
C2 C3 1.33(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.41(3) . ?
C3 C6 1.56(3) . ?
C4 C5 1.38(3) . ?
C4 H4 0.9300 . ?
C5 N1 1.30(3) . ?
C5 H5 0.9300 . ?
C6 O2 1.20(2) . ?
C6 O1 1.24(2) . ?
C7 N2 1.33(3) . ?
C7 C8 1.38(3) . ?
C7 H7 0.9300 . ?
C8 C9 1.37(3) . ?
C8 H8 0.9300 . ?
C9 C10 1.34(3) . ?
C9 C12 1.54(3) . ?
C10 C11 1.36(4) . ?
C10 H10 0.9300 . ?
C11 N2 1.34(3) . ?
C11 H11 0.9300 . ?
C12 O3 1.21(2) . ?
C12 O4 1.29(2) . ?
C13 O6 1.23(2) . ?
C13 O5 1.25(2) . ?
C13 C14 1.52(3) . ?
C14 C15 1.37(3) . ?
C14 C18 1.38(3) . ?
C15 C16 1.35(3) . ?
C15 H15A 0.9300 . ?
C16 N4 1.35(3) . ?
C16 H16 0.9300 . ?
C17 N4 1.31(3) . ?
C17 C18 1.36(3) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 O9 1.23(2) . ?
C19 O10 1.27(2) . ?
C19 C20 1.51(3) . ?
C20 C21 1.37(3) . ?
C20 C24 1.38(3) . ?
C21 C22 1.33(3) . ?
C21 H21 0.9300 . ?
C22 N3 1.36(3) . ?
C22 H22 0.9300 . ?
C23 N3 1.33(3) . ?
C23 C24 1.38(3) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 O8 1.24(2) . ?
C25 O7 1.27(2) . ?
C25 C26 1.51(2) . ?
C26 C27 1.37(3) . ?
C26 C30 1.43(3) . ?
C27 C28 1.37(3) . ?
C27 H27 0.9300 . ?
C28 N5 1.34(3) . ?
C28 H28 0.9300 . ?
C29 N5 1.34(3) . ?
C29 C30 1.35(3) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 O12 1.23(2) . ?
C31 O11 1.26(2) . ?
C31 C32 1.51(3) . ?
C32 C36' 1.34(3) . ?
C32 C36 1.34(3) . ?
C32 C33' 1.39(4) . ?
C32 C33 1.39(4) . ?
C37 O22 1.19(2) . ?
C37 O21 1.26(2) . ?
C37 C37 1.62(4) 2 ?
C37 Eu1 3.22(2) 2 ?
Cl1 O18 1.35(3) . ?
Cl1 O19 1.40(3) . ?
Cl1 O17 1.44(4) . ?
Cl1 O16 1.47(3) . ?
N4 Ag3 2.119(17) 2_665 ?
N6 C35 1.27(3) . ?
N6 C35' 1.27(3) . ?
N6 C34' 1.43(3) . ?
N6 C34 1.43(3) . ?
N6 Ag2 2.177(19) 1_545 ?
N7 O13 1.204(17) . ?
N7 O14 1.251(17) . ?
N7 O15 1.257(16) . ?
O1 Eu2 2.405(14) 2_556 ?
O3 Eu2 2.438(13) 2_566 ?
O4 Eu2 2.376(13) 1_565 ?
O8 Eu1 2.324(15) 2_655 ?
O22 Eu1 2.470(15) 2 ?
O1W H1W 0.8223 . ?
O1W H2W 0.8358 . ?
O2W H3W 0.8294 . ?
O2W H4W 0.8101 . ?
O3W H6W 0.8749 . ?
O3W H5W 0.8403 . ?
O4W H8W 0.8412 . ?
O4W H7W 0.8335 . ?
O5W H9W 0.8711 . ?
O5W H10W 0.8360 . ?
C33 C34 1.39(6) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
C35 C36 1.42(3) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C33' C34' 1.34(6) . ?
C33' H33' 0.9300 . ?
C34' H34' 0.9300 . ?
C35' C36' 1.42(3) . ?
C35' H35' 0.9300 . ?
C36' H36' 0.9300 . ?

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
O8 Eu1 O12 87.4(5) 2_655 . ?
O8 Eu1 O10 142.3(6) 2_655 . ?
O12 Eu1 O10 79.9(5) . . ?
O8 Eu1 O5 144.3(5) 2_655 . ?
O12 Eu1 O5 106.7(5) . . ?
O10 Eu1 O5 73.3(5) . . ?
O8 Eu1 O7 97.2(5) 2_655 . ?
O12 Eu1 O7 150.1(5) . . ?
O10 Eu1 O7 78.5(5) . . ?
O5 Eu1 O7 86.5(5) . . ?
O8 Eu1 O22 74.8(5) 2_655 2 ?
O12 Eu1 O22 138.0(5) . 2 ?
O10 Eu1 O22 135.3(5) . 2 ?
O5 Eu1 O22 72.9(5) . 2 ?
O7 Eu1 O22 71.1(5) . 2 ?
O8 Eu1 O21 80.2(5) 2_655 . ?
O12 Eu1 O21 74.3(5) . . ?
O10 Eu1 O21 128.6(5) . . ?
O5 Eu1 O21 72.8(5) . . ?
O7 Eu1 O21 135.6(5) . . ?
O22 Eu1 O21 65.5(5) 2 . ?
O8 Eu1 O1W 71.2(5) 2_655 . ?
O12 Eu1 O1W 78.7(5) . . ?
O10 Eu1 O1W 71.5(5) . . ?
O5 Eu1 O1W 142.8(5) . . ?
O7 Eu1 O1W 75.0(5) . . ?
O22 Eu1 O1W 127.6(4) 2 . ?
O21 Eu1 O1W 141.3(5) . . ?
O8 Eu1 C37 81.1(5) 2_655 2 ?
O12 Eu1 C37 122.5(5) . 2 ?
O10 Eu1 C37 135.3(5) . 2 ?
O5 Eu1 C37 63.5(5) . 2 ?
O7 Eu1 C37 87.4(5) . 2 ?
O22 Eu1 C37 18.8(5) 2 2 ?
O21 Eu1 C37 48.3(5) . 2 ?
O1W Eu1 C37 144.6(5) . 2 ?
O11 Eu2 O9 92.0(5) . . ?
O11 Eu2 O4 86.2(5) . 1_545 ?
O9 Eu2 O4 144.2(5) . 1_545 ?
O11 Eu2 O1 85.8(5) . 2_556 ?
O9 Eu2 O1 144.4(5) . 2_556 ?
O4 Eu2 O1 71.2(5) 1_545 2_556 ?
O11 Eu2 O2 142.8(5) . . ?
O9 Eu2 O2 83.3(5) . . ?
O4 Eu2 O2 77.0(5) 1_545 . ?
O1 Eu2 O2 118.5(5) 2_556 . ?
O11 Eu2 O2W 73.6(5) . . ?
O9 Eu2 O2W 72.3(5) . . ?
O4 Eu2 O2W 139.9(5) 1_545 . ?
O1 Eu2 O2W 73.1(5) 2_556 . ?
O2 Eu2 O2W 137.7(6) . . ?
O11 Eu2 O3W 71.3(5) . . ?
O9 Eu2 O3W 72.7(6) . . ?
O4 Eu2 O3W 72.9(6) 1_545 . ?
O1 Eu2 O3W 138.4(6) 2_556 . ?
O2 Eu2 O3W 72.1(6) . . ?
O2W Eu2 O3W 128.5(6) . . ?
O11 Eu2 O3 144.3(5) . 2_566 ?
O9 Eu2 O3 82.2(5) . 2_566 ?
O4 Eu2 O3 118.4(5) 1_545 2_566 ?
O1 Eu2 O3 79.3(5) 2_556 2_566 ?
O2 Eu2 O3 71.7(5) . 2_566 ?
O2W Eu2 O3 71.1(5) . 2_566 ?
O3W Eu2 O3 137.7(5) . 2_566 ?
N2 Ag1 N1 176.2(8) . . ?
N6 Ag2 N3 172.5(8) 1_565 . ?
N5 Ag3 N4 171.3(8) . 2_665 ?
N1 C1 C2 124(2) . . ?
N1 C1 H1 118.2 . . ?
C2 C1 H1 118.2 . . ?
C3 C2 C1 119(3) . . ?
C3 C2 H2 120.6 . . ?
C1 C2 H2 120.6 . . ?
C2 C3 C4 118(2) . . ?
C2 C3 C6 122(2) . . ?
C4 C3 C6 119.5(18) . . ?
C5 C4 C3 119(2) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
N1 C5 C4 122(2) . . ?
N1 C5 H5 119.0 . . ?
C4 C5 H5 119.0 . . ?
O2 C6 O1 128.4(19) . . ?
O2 C6 C3 117.9(17) . . ?
O1 C6 C3 113.7(17) . . ?
N2 C7 C8 125(2) . . ?
N2 C7 H7 117.7 . . ?
C8 C7 H7 117.7 . . ?
C9 C8 C7 117(2) . . ?
C9 C8 H8 121.5 . . ?
C7 C8 H8 121.5 . . ?
C10 C9 C8 119(2) . . ?
C10 C9 C12 124(2) . . ?
C8 C9 C12 117(2) . . ?
C9 C10 C11 121(2) . . ?
C9 C10 H10 119.4 . . ?
C11 C10 H10 119.4 . . ?
N2 C11 C10 122(3) . . ?
N2 C11 H11 119.2 . . ?
C10 C11 H11 119.2 . . ?
O3 C12 O4 125.9(18) . . ?
O3 C12 C9 119.3(18) . . ?
O4 C12 C9 114.8(18) . . ?
O6 C13 O5 125.7(19) . . ?
O6 C13 C14 118.3(18) . . ?
O5 C13 C14 115.9(18) . . ?
C15 C14 C18 117.7(19) . . ?
C15 C14 C13 122.0(18) . . ?
C18 C14 C13 120.3(19) . . ?
C16 C15 C14 121(2) . . ?
C16 C15 H15A 119.4 . . ?
C14 C15 H15A 119.4 . . ?
N4 C16 C15 122(2) . . ?
N4 C16 H16 119.2 . . ?
C15 C16 H16 119.2 . . ?
N4 C17 C18 126(3) . . ?
N4 C17 H17 117.0 . . ?
C18 C17 H17 117.0 . . ?
C17 C18 C14 117(2) . . ?
C17 C18 H18 121.6 . . ?
C14 C18 H18 121.6 . . ?
O9 C19 O10 127.8(18) . . ?
O9 C19 C20 115.1(17) . . ?
O10 C19 C20 117.1(16) . . ?
C21 C20 C24 116.8(18) . . ?
C21 C20 C19 121.2(18) . . ?
C24 C20 C19 122.0(17) . . ?
C22 C21 C20 121(2) . . ?
C22 C21 H21 119.5 . . ?
C20 C21 H21 119.5 . . ?
C21 C22 N3 123(2) . . ?
C21 C22 H22 118.7 . . ?
N3 C22 H22 118.7 . . ?
N3 C23 C24 122(2) . . ?
N3 C23 H23 119.2 . . ?
C24 C23 H23 119.2 . . ?
C20 C24 C23 120(2) . . ?
C20 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
O8 C25 O7 126.1(17) . . ?
O8 C25 C26 118.4(17) . . ?
O7 C25 C26 115.4(17) . . ?
C27 C26 C30 117.1(18) . . ?
C27 C26 C25 122.0(18) . . ?
C30 C26 C25 120.8(18) . . ?
C28 C27 C26 121(2) . . ?
C28 C27 H27 119.7 . . ?
C26 C27 H27 119.7 . . ?
N5 C28 C27 123(2) . . ?
N5 C28 H28 118.6 . . ?
C27 C28 H28 118.6 . . ?
N5 C29 C30 126(2) . . ?
N5 C29 H29 117.2 . . ?
C30 C29 H29 117.2 . . ?
C29 C30 C26 118(2) . . ?
C29 C30 H30 121.2 . . ?
C26 C30 H30 121.2 . . ?
O12 C31 O11 128.9(19) . . ?
O12 C31 C32 115.5(18) . . ?
O11 C31 C32 115.6(18) . . ?
C36' C32 C33' 116(3) . . ?
C36 C32 C33' 109(3) . . ?
C36' C32 C33 113(3) . . ?
C36 C32 C33 119(3) . . ?
C36' C32 C31 124(2) . . ?
C36 C32 C31 125(2) . . ?
C33' C32 C31 120(3) . . ?
C33 C32 C31 116(3) . . ?
O22 C37 O21 129(2) . . ?
O22 C37 C37 117(2) . 2 ?
O21 C37 C37 114(2) . 2 ?
O21 C37 Eu1 161.6(13) . 2 ?
C37 C37 Eu1 76.5(14) 2 2 ?
O18 Cl1 O19 105.8(18) . . ?
O18 Cl1 O17 108(2) . . ?
O19 Cl1 O17 118(2) . . ?
O18 Cl1 O16 101(2) . . ?
O19 Cl1 O16 116(2) . . ?
O17 Cl1 O16 107(2) . . ?
C5 N1 C1 117.6(19) . . ?
C5 N1 Ag1 121.3(16) . . ?
C1 N1 Ag1 119.7(16) . . ?
C7 N2 C11 116(2) . . ?
C7 N2 Ag1 121.2(17) . . ?
C11 N2 Ag1 122.0(18) . . ?
C23 N3 C22 118(2) . . ?
C23 N3 Ag2 125.7(17) . . ?
C22 N3 Ag2 116.2(16) . . ?
C17 N4 C16 116(2) . . ?
C17 N4 Ag3 120.3(17) . 2_665 ?
C16 N4 Ag3 123.2(15) . 2_665 ?
C35 N6 C34' 110(3) . . ?
C35' N6 C34' 116(2) . . ?
C35 N6 C34 115(2) . . ?
C35' N6 C34 108(3) . . ?
C35 N6 Ag2 127.4(18) . 1_545 ?
C35' N6 Ag2 128.7(19) . 1_545 ?
C34' N6 Ag2 115(2) . 1_545 ?
C34 N6 Ag2 117(2) . 1_545 ?
C28 N5 C29 116.3(18) . . ?
C28 N5 Ag3 118.9(15) . . ?
C29 N5 Ag3 124.8(16) . . ?
O13 N7 O14 119(2) . . ?
O13 N7 O15 117(2) . . ?
O14 N7 O15 122(2) . . ?
C6 O1 Eu2 138.9(14) . 2_556 ?
C6 O2 Eu2 147.6(13) . . ?
C12 O3 Eu2 127.7(13) . 2_566 ?
C12 O4 Eu2 155.2(13) . 1_565 ?
C13 O5 Eu1 172.8(14) . . ?
C25 O7 Eu1 128.5(12) . . ?
C25 O8 Eu1 166.8(14) . 2_655 ?
C19 O9 Eu2 153.2(14) . . ?
C19 O10 Eu1 128.5(12) . . ?
C31 O11 Eu2 149.3(13) . . ?
C31 O12 Eu1 161.9(14) . . ?
C37 O21 Eu1 117.3(12) . . ?
C37 O22 Eu1 119.1(14) . 2 ?
H1W O1W H2W 108.2 . . ?
H3W O2W H4W 112.0 . . ?
H6W O3W H5W 108.0 . . ?
H8W O4W H7W 107.7 . . ?
H9W O5W H10W 109.2 . . ?
C34 C33 C32 118(3) . . ?
C34 C33 H33 121.2 . . ?
C32 C33 H33 121.2 . . ?
C33 C34 N6 123(3) . . ?
C33 C34 H34 118.5 . . ?
N6 C34 H34 118.5 . . ?
N6 C35 C36 124(3) . . ?
N6 C35 H35 118.0 . . ?
C36 C35 H35 118.0 . . ?
C32 C36 C35 121(3) . . ?
C32 C36 H36 119.7 . . ?
C35 C36 H36 119.7 . . ?
C34' C33' C32 123(4) . . ?
C34' C33' H33' 118.4 . . ?
C32 C33' H33' 118.4 . . ?
C33' C34' N6 120(3) . . ?
C33' C34' H34' 120.1 . . ?
N6 C34' H34' 120.1 . . ?
N6 C35' C36' 126(3) . . ?
N6 C35' H35' 117.2 . . ?
C36' C35' H35' 117.2 . . ?
C32 C36' C35' 119(3) . . ?
C32 C36' H36' 120.5 . . ?
C35' C36' H36' 120.5 . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        25.20
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         1.950
_refine_diff_density_min         -1.413
_refine_diff_density_rms         0.340

data_9
_database_code_depnum_ccdc_archive 'CCDC 725765'

#====================================================================

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C12 H9 Ag N2 O4, 4(H2 O)'
_chemical_formula_sum            'C12 H17 Ag N2 O8'
_chemical_formula_weight         425.15

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

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   5.8629(2)
_cell_length_b                   8.4880(3)
_cell_length_c                   8.8740(3)
_cell_angle_alpha                108.550(2)
_cell_angle_beta                 103.457(2)
_cell_angle_gamma                102.463(2)
_cell_volume                     386.53(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    1345
_cell_measurement_theta_min      1.36
_cell_measurement_theta_max      28.00

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.826
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             214
_exptl_absorpt_coefficient_mu    1.347
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7469
_exptl_absorpt_correction_T_max  0.7935
_exptl_absorpt_process_details   'Apex2 v2.1-4 (Bruker, 2007)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker AXS SMART APEX CCD diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            5334
_diffrn_reflns_av_R_equivalents  0.0264
_diffrn_reflns_av_sigmaI/netI    0.0256
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         2.56
_diffrn_reflns_theta_max         26.00
_reflns_number_total             1509
_reflns_number_gt                1447
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Apex2 v2.1-4 (Bruker, 2007)'
_computing_cell_refinement       'Apex2 v2.1-4'
_computing_data_reduction        'Apex2 v2.1-4'
_computing_structure_solution    'SHELXTL 6.14 (Bruker, 2000-2003)'
_computing_structure_refinement  'SHELXTL 6.14'
_computing_molecular_graphics    'SHELXTL 6.14'
_computing_publication_material  'SHELXTL 6.14'

_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)+(0.0288P)²+0.0698P] 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       0.057(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         1509
_refine_ls_number_parameters     120
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0209
_refine_ls_R_factor_gt           0.0199
_refine_ls_wR_factor_ref         0.0523
_refine_ls_wR_factor_gt          0.0516
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 1.5000 0.5000 0.5000 0.05323(13) Uani 1 2 d S . .
C1 C 0.9621(4) 0.3675(2) 0.2708(2) 0.0382(4) Uani 1 1 d . . .
H1 H 1.0282 0.4475 0.2288 0.046 Uiso 1 1 calc R . .
C2 C 0.7143(3) 0.2763(2) 0.2011(2) 0.0353(4) Uani 1 1 d . . .
H2 H 0.6160 0.2957 0.1145 0.042 Uiso 1 1 calc R . .
C3 C 0.6111(3) 0.1550(2) 0.26015(19) 0.0306(3) Uani 1 1 d . . .
C4 C 0.7663(4) 0.1346(2) 0.3919(2) 0.0394(4) Uani 1 1 d . . .
H4 H 0.7041 0.0562 0.4367 0.047 Uiso 1 1 calc R . .
C5 C 1.0114(4) 0.2308(2) 0.4556(2) 0.0424(4) Uani 1 1 d . . .
H5 H 1.1127 0.2154 0.5439 0.051 Uiso 1 1 calc R . .
C6 C 0.3426(3) 0.0476(2) 0.1819(2) 0.0334(4) Uani 1 1 d . . .
N1 N 1.1134(3) 0.34668(19) 0.39680(18) 0.0368(3) Uani 1 1 d . . .
O1 O 0.2195(3) 0.08779(17) 0.06982(17) 0.0463(3) Uani 1 1 d . . .
H1A H 0.0779 0.0200 0.0280 0.069 Uiso 0.50 1 calc PR . .
O2 O 0.2594(3) -0.06934(18) 0.22721(19) 0.0508(3) Uani 1 1 d . . .
O1W O 0.4327(3) 0.6366(2) 0.2285(2) 0.0575(4) Uani 1 1 d D . .
H1W H 0.554(4) 0.656(4) 0.193(4) 0.086 Uiso 1 1 d D . .
H2W H 0.374(5) 0.719(3) 0.229(4) 0.086 Uiso 1 1 d D . .
O2W O 0.8191(3) 0.6399(2) 0.1001(2) 0.0607(4) Uani 1 1 d D . .
H3W H 0.759(6) 0.591(3) -0.0043(13) 0.091 Uiso 1 1 d D . .
H4W H 0.923(5) 0.736(2) 0.125(3) 0.091 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
Ag1 N1 2.1614(15) 2_866 ?
Ag1 N1 2.1614(15) . ?
C1 N1 1.342(2) . ?
C1 C2 1.373(3) . ?
C1 H1 0.9300 . ?
C2 C3 1.387(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.388(2) . ?
C3 C6 1.503(2) . ?
C4 C5 1.369(3) . ?
C4 H4 0.9300 . ?
C5 N1 1.347(3) . ?
C5 H5 0.9300 . ?
C6 O2 1.233(2) . ?
C6 O1 1.271(2) . ?
O1 H1A 0.8200 . ?
O1W H1W 0.845(10) . ?
O1W H2W 0.846(10) . ?
O2W H3W 0.834(10) . ?
O2W H4W 0.830(10) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N1 180.0 2_866 . ?
N1 C1 C2 123.06(16) . . ?
N1 C1 H1 118.5 . . ?
C2 C1 H1 118.5 . . ?
C1 C2 C3 119.74(15) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 H2 120.1 . . ?
C4 C3 C2 117.39(16) . . ?
C4 C3 C6 121.49(15) . . ?
C2 C3 C6 121.11(15) . . ?
C5 C4 C3 119.57(16) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
N1 C5 C4 123.27(16) . . ?
N1 C5 H5 118.4 . . ?
C4 C5 H5 118.4 . . ?
O2 C6 O1 125.40(17) . . ?
O2 C6 C3 120.00(15) . . ?
O1 C6 C3 114.60(15) . . ?
C1 N1 C5 116.96(15) . . ?
C1 N1 Ag1 120.04(12) . . ?
C5 N1 Ag1 122.99(12) . . ?
C6 O1 H1A 109.5 . . ?
H1W O1W H2W 104.9(15) . . ?
H3W O2W H4W 108.4(15) . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         0.248
_refine_diff_density_min         -0.281
_refine_diff_density_rms         0.052


