#------------------------------------------------------------------------------
#$Date: 2019-11-28 15:29:13 +0100 (jue 28 de nov de 2019) $
#$Revision: 244108 $
#$URL: svn://www.crystallography.net/cod/cif/7/23/82/7238296.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7238296
loop_
_publ_author_name
'Chen, Man-Sheng'
'Su, Zhi'
'Chen, Min'
'Chen, Shui-Sheng'
'Li, Yi-Zhi'
'Sun, Wei-Yin'
_publ_section_title
;
 Three-dimensional lanthanide--silver heterometallic coordination
 polymers: syntheses, structures and properties
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              3267
_journal_paper_doi               10.1039/c005207h
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C28 H22 Ag N4 O13 Sm'
_chemical_formula_weight         880.72
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.706(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.543(3)
_cell_length_b                   10.8090(11)
_cell_length_c                   20.637(2)
_cell_measurement_temperature    293(2)
_cell_volume                     5747.0(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0523
_diffrn_reflns_av_sigmaI/netI    0.0479
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13921
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    2.784
_exptl_absorpt_correction_T_max  0.7682
_exptl_absorpt_correction_T_min  0.5795
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_density_diffrn    2.036
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3448
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.268
_refine_diff_density_min         -1.932
_refine_diff_density_rms         0.157
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     429
_refine_ls_number_reflns         5064
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0461
_refine_ls_R_factor_gt           0.0401
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0737P)²+12.3585P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1140
_refine_ls_wR_factor_ref         0.1180
_reflns_number_gt                4344
_reflns_number_total             5064
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c005207h.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        5747.1(11)
_cod_original_sg_symbol_H-M      'C2/c '
_cod_database_code               7238296
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'
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
Ag1 Ag 0.51774(2) 0.94937(8) 0.33570(3) 0.0623(2) Uani 1 1 d .
Sm1 Sm 0.051271(10) 0.87494(3) 0.468847(13) 0.01556(12) Uani 1 1 d .
C1 C 0.0955(2) 0.8869(5) 0.3627(3) 0.0233(13) Uani 1 1 d .
C2 C 0.1191(2) 0.9045(5) 0.3074(3) 0.0220(13) Uani 1 1 d .
C3 C 0.1725(2) 0.9088(6) 0.3254(3) 0.0257(13) Uani 1 1 d .
H3 H 0.1938 0.8896 0.3704 0.031 Uiso 1 1 calc R
C4 C 0.1943(2) 0.9411(6) 0.2774(3) 0.0238(13) Uani 1 1 d .
C5 C 0.1627(2) 0.9692(5) 0.2107(3) 0.0233(13) Uani 1 1 d .
H5 H 0.1773 0.9965 0.1790 0.028 Uiso 1 1 calc R
C6 C 0.1096(2) 0.9571(5) 0.1907(3) 0.0204(12) Uani 1 1 d .
C7 C 0.0775(2) 0.9792(5) 0.1171(3) 0.0222(13) Uani 1 1 d .
C8 C 0.0872(2) 0.9243(6) 0.2390(3) 0.0237(13) Uani 1 1 d .
H8 H 0.0514 0.9157 0.2257 0.028 Uiso 1 1 calc R
C9 C 0.2758(2) 1.0271(7) 0.2760(3) 0.0318(15) Uani 1 1 d .
C10 C 0.3336(2) 1.0043(6) 0.2993(3) 0.0273(14) Uani 1 1 d .
C11 C 0.3550(3) 0.8875(7) 0.3075(3) 0.0364(16) Uani 1 1 d .
H11 H 0.3342 0.8176 0.3020 0.044 Uiso 1 1 calc R
C12 C 0.4079(3) 0.8764(7) 0.3240(4) 0.0406(18) Uani 1 1 d .
H12 H 0.4223 0.7975 0.3301 0.049 Uiso 1 1 calc R
C13 C 0.4182(3) 1.0858(7) 0.3252(4) 0.0403(17) Uani 1 1 d .
H13 H 0.4399 1.1544 0.3324 0.048 Uiso 1 1 calc R
C14 C 0.3660(3) 1.1040(7) 0.3085(4) 0.0367(16) Uani 1 1 d .
H14 H 0.3526 1.1838 0.3034 0.044 Uiso 1 1 calc R
C15 C 0.0904(2) 0.6303(5) 0.4914(3) 0.0220(13) Uani 1 1 d .
C16 C 0.1075(2) 0.5002(5) 0.5069(3) 0.0224(12) Uani 1 1 d .
C17 C 0.1594(2) 0.4679(5) 0.5338(3) 0.0224(12) Uani 1 1 d .
H17 H 0.1847 0.5292 0.5456 0.027 Uiso 1 1 calc R
C18 C 0.1739(2) 0.3447(6) 0.5432(3) 0.0240(13) Uani 1 1 d .
C19 C 0.1362(2) 0.2513(6) 0.5238(3) 0.0264(13) Uani 1 1 d .
H19 H 0.1459 0.1684 0.5284 0.032 Uiso 1 1 calc R
C20 C 0.0832(2) 0.2850(5) 0.4973(3) 0.0222(12) Uani 1 1 d .
C21 C 0.0429(2) 0.1883(6) 0.4718(3) 0.0250(13) Uani 1 1 d .
C22 C 0.0696(2) 0.4083(5) 0.4912(3) 0.0212(12) Uani 1 1 d .
H22 H 0.0347 0.4304 0.4764 0.025 Uiso 1 1 calc R
C23 C 0.2467(2) 0.2115(6) 0.6080(3) 0.0322(15) Uani 1 1 d .
C24 C 0.3035(2) 0.1831(6) 0.6250(3) 0.0290(14) Uani 1 1 d .
C25 C 0.3419(2) 0.2709(7) 0.6349(4) 0.0381(16) Uani 1 1 d .
H25 H 0.3340 0.3548 0.6300 0.046 Uiso 1 1 calc R
C26 C 0.3925(3) 0.2302(8) 0.6522(4) 0.0465(19) Uani 1 1 d .
H26 H 0.4186 0.2892 0.6608 0.056 Uiso 1 1 calc R
C27 C 0.3692(3) 0.0296(7) 0.6483(3) 0.0378(17) Uani 1 1 d .
H27 H 0.3782 -0.0537 0.6525 0.045 Uiso 1 1 calc R
C28 C 0.3180(2) 0.0599(6) 0.6330(3) 0.0337(15) Uani 1 1 d .
H28 H 0.2933 -0.0016 0.6280 0.040 Uiso 1 1 calc R
N1 N 0.4390(2) 0.9725(6) 0.3315(3) 0.0420(15) Uani 1 1 d .
N2 N 0.24891(18) 0.9427(5) 0.2978(2) 0.0281(12) Uani 1 1 d .
H2 H 0.2661 0.8863 0.3260 0.034 Uiso 1 1 calc R
N3 N 0.4060(2) 0.1113(6) 0.6573(3) 0.0377(14) Uani 1 1 d .
N4 N 0.22714(17) 0.3124(5) 0.5695(3) 0.0272(11) Uani 1 1 d .
H4 H 0.2485 0.3608 0.5602 0.033 Uiso 1 1 calc R
O1 O 0.04790(16) 0.8700(4) 0.3455(2) 0.0350(11) Uani 1 1 d .
O2 O 0.12447(16) 0.8908(4) 0.4249(2) 0.0322(11) Uani 1 1 d .
O3 O 0.03420(15) 0.9262(4) 0.0938(2) 0.0309(10) Uani 1 1 d .
O4 O 0.09514(16) 1.0468(4) 0.0816(2) 0.0301(10) Uani 1 1 d .
O5 O 0.25678(18) 1.1161(4) 0.2394(3) 0.0433(13) Uani 1 1 d .
O6 O 0.05101(17) 0.6525(4) 0.4385(2) 0.0323(11) Uani 1 1 d .
O7 O 0.11509(15) 0.7158(4) 0.5304(2) 0.0276(9) Uani 1 1 d .
O8 O -0.00214(15) 0.2120(4) 0.4687(2) 0.0297(10) Uani 1 1 d .
O9 O 0.05731(17) 0.0875(4) 0.4528(2) 0.0339(10) Uani 1 1 d .
O10 O 0.2214(2) 0.1408(6) 0.6285(4) 0.072(2) Uani 1 1 d .
O1W O 0.2194(2) 0.0090(5) 0.4873(3) 0.0555(15) Uani 1 1 d .
H1WC H 0.1903 -0.0270 0.4686 0.067 Uiso 1 1 d R
H1WD H 0.2196 0.0433 0.5245 0.067 Uiso 1 1 d R
O3W O 0.5000 0.1720(7) 0.2500 0.058(2) Uani 1 2 d S
H3WD H 0.4806 0.2308 0.2534 0.069 Uiso 0.50 1 d PR
H3WB H 0.5287 0.1746 0.2839 0.069 Uiso 0.50 1 d PR
O4W O -0.0080(6) 0.1563(15) 0.3054(9) 0.113(6) Uani 0.50 1 d P
H4WB H -0.0163 0.1112 0.2694 0.135 Uiso 0.50 1 d PR
H4WC H 0.0007 0.1106 0.3413 0.135 Uiso 0.50 1 d PR
O2W O 0.21660(18) 0.7670(5) 0.6101(3) 0.0518(14) Uani 1 1 d .
H2WA H 0.2231 0.8035 0.6488 0.062 Uiso 1 1 d R
H2WB H 0.1840 0.7573 0.5914 0.062 Uiso 1 1 d R
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'
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
N3 Ag1 N1 168.8(2) 5_666 .
N3 Ag1 Ag1 89.09(15) 5_666 2_655
N1 Ag1 Ag1 92.51(15) . 2_655
O3 Sm1 O9 78.17(16) 2 1_565
O3 Sm1 O4 121.87(15) 2 6_576
O9 Sm1 O4 75.55(16) 1_565 6_576
O3 Sm1 O8 74.66(14) 2 5_566
O9 Sm1 O8 123.39(15) 1_565 5_566
O4 Sm1 O8 78.35(15) 6_576 5_566
O3 Sm1 O7 148.49(15) 2 .
O9 Sm1 O7 133.28(14) 1_565 .
O4 Sm1 O7 73.73(14) 6_576 .
O8 Sm1 O7 83.29(14) 5_566 .
O3 Sm1 O6 100.31(15) 2 .
O9 Sm1 O6 155.59(17) 1_565 .
O4 Sm1 O6 123.27(14) 6_576 .
O8 Sm1 O6 78.56(16) 5_566 .
O7 Sm1 O6 52.60(13) . .
O3 Sm1 O2 124.99(14) 2 .
O9 Sm1 O2 76.92(16) 1_565 .
O4 Sm1 O2 97.82(14) 6_576 .
O8 Sm1 O2 156.47(14) 5_566 .
O7 Sm1 O2 73.42(14) . .
O6 Sm1 O2 84.57(15) . .
O3 Sm1 O1 76.91(14) 2 .
O9 Sm1 O1 81.76(16) 1_565 .
O4 Sm1 O1 145.70(14) 6_576 .
O8 Sm1 O1 135.95(14) 5_566 .
O7 Sm1 O1 105.72(14) . .
O6 Sm1 O1 74.25(15) . .
O2 Sm1 O1 51.53(14) . .
O1 C1 O2 121.6(5) . .
O1 C1 C2 119.6(5) . .
O2 C1 C2 118.8(5) . .
C3 C2 C8 119.8(5) . .
C3 C2 C1 120.1(5) . .
C8 C2 C1 119.9(5) . .
C4 C3 C2 120.6(5) . .
C4 C3 H3 119.7 . .
C2 C3 H3 119.7 . .
C3 C4 C5 119.7(5) . .
C3 C4 N2 118.7(5) . .
C5 C4 N2 121.6(5) . .
C6 C5 C4 120.5(5) . .
C6 C5 H5 119.8 . .
C4 C5 H5 119.8 . .
C5 C6 C8 120.1(5) . .
C5 C6 C7 118.6(5) . .
C8 C6 C7 121.2(5) . .
O4 C7 O3 123.8(5) . .
O4 C7 C6 118.6(5) . .
O3 C7 C6 117.5(5) . .
C6 C8 C2 119.0(5) . .
C6 C8 H8 120.5 . .
C2 C8 H8 120.5 . .
O5 C9 N2 124.9(6) . .
O5 C9 C10 119.9(6) . .
N2 C9 C10 115.2(6) . .
C14 C10 C11 118.4(6) . .
C14 C10 C9 118.5(6) . .
C11 C10 C9 122.9(6) . .
C12 C11 C10 118.5(6) . .
C12 C11 H11 120.7 . .
C10 C11 H11 120.7 . .
N1 C12 C11 123.0(7) . .
N1 C12 H12 118.5 . .
C11 C12 H12 118.5 . .
N1 C13 C14 122.0(7) . .
N1 C13 H13 119.0 . .
C14 C13 H13 119.0 . .
C10 C14 C13 119.8(7) . .
C10 C14 H14 120.1 . .
C13 C14 H14 120.1 . .
O7 C15 O6 121.3(5) . .
O7 C15 C16 120.1(5) . .
O6 C15 C16 118.6(5) . .
C17 C16 C22 119.8(5) . .
C17 C16 C15 122.0(5) . .
C22 C16 C15 118.2(5) . .
C16 C17 C18 120.3(5) . .
C16 C17 H17 119.9 . .
C18 C17 H17 119.9 . .
C17 C18 C19 120.4(5) . .
C17 C18 N4 119.9(5) . .
C19 C18 N4 119.6(5) . .
C18 C19 C20 118.9(5) . .
C18 C19 H19 120.5 . .
C20 C19 H19 120.5 . .
C22 C20 C19 119.7(5) . .
C22 C20 C21 120.3(5) . .
C19 C20 C21 119.9(5) . .
O8 C21 O9 125.1(6) . .
O8 C21 C20 118.8(6) . .
O9 C21 C20 116.1(5) . .
C20 C22 C16 120.7(5) . .
C20 C22 H22 119.6 . .
C16 C22 H22 119.6 . .
O10 C23 N4 124.0(6) . .
O10 C23 C24 118.0(6) . .
N4 C23 C24 117.9(5) . .
C25 C24 C28 118.0(6) . .
C25 C24 C23 124.9(6) . .
C28 C24 C23 117.1(6) . .
C24 C25 C26 118.0(7) . .
C24 C25 H25 121.0 . .
C26 C25 H25 121.0 . .
N3 C26 C25 123.8(7) . .
N3 C26 H26 118.1 . .
C25 C26 H26 118.1 . .
N3 C27 C28 123.7(7) . .
N3 C27 H27 118.2 . .
C28 C27 H27 118.2 . .
C27 C28 C24 119.2(6) . .
C27 C28 H28 120.4 . .
C24 C28 H28 120.4 . .
C12 N1 C13 118.1(6) . .
C12 N1 Ag1 121.0(5) . .
C13 N1 Ag1 120.0(5) . .
C9 N2 C4 124.2(5) . .
C9 N2 H2 117.9 . .
C4 N2 H2 117.9 . .
C27 N3 C26 117.3(6) . .
C27 N3 Ag1 119.5(5) . 5_666
C26 N3 Ag1 122.5(5) . 5_666
C23 N4 C18 124.8(5) . .
C23 N4 H4 117.6 . .
C18 N4 H4 117.6 . .
C1 O1 Sm1 92.8(3) . .
C1 O2 Sm1 93.8(4) . .
C7 O3 Sm1 164.3(4) . 2
C7 O4 Sm1 128.0(4) . 6_575
C15 O6 Sm1 92.4(3) . .
C15 O7 Sm1 93.3(3) . .
C21 O8 Sm1 129.8(4) . 5_566
C21 O9 Sm1 139.1(4) . 1_545
H1WC O1W H1WD 108.4 . .
H3WD O3W H3WB 109.6 . .
H4WB O4W H4WC 109.5 . .
H2WA O2W H2WB 108.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N3 2.155(5) 5_666
Ag1 N1 2.155(5) .
Ag1 Ag1 3.3201(14) 2_655
Sm1 O3 2.317(4) 2
Sm1 O9 2.335(4) 1_565
Sm1 O4 2.367(4) 6_576
Sm1 O8 2.369(4) 5_566
Sm1 O7 2.467(4) .
Sm1 O6 2.484(4) .
Sm1 O2 2.493(4) .
Sm1 O1 2.515(4) .
C1 O1 1.245(7) .
C1 O2 1.249(7) .
C1 C2 1.512(8) .
C2 C3 1.385(8) .
C2 C8 1.392(8) .
C3 C4 1.371(8) .
C3 H3 0.9300 .
C4 C5 1.378(8) .
C4 N2 1.412(7) .
C5 C6 1.377(8) .
C5 H5 0.9300 .
C6 C8 1.392(8) .
C6 C7 1.482(8) .
C7 O4 1.249(7) .
C7 O3 1.254(7) .
C8 H8 0.9300 .
C9 O5 1.222(8) .
C9 N2 1.350(8) .
C9 C10 1.512(8) .
C10 C14 1.368(9) .
C10 C11 1.378(9) .
C11 C12 1.379(9) .
C11 H11 0.9300 .
C12 N1 1.320(9) .
C12 H12 0.9300 .
C13 N1 1.339(9) .
C13 C14 1.368(9) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 O7 1.256(7) .
C15 O6 1.261(7) .
C15 C16 1.481(8) .
C16 C17 1.384(8) .
C16 C22 1.393(8) .
C17 C18 1.383(8) .
C17 H17 0.9300 .
C18 C19 1.401(8) .
C18 N4 1.417(7) .
C19 C20 1.413(8) .
C19 H19 0.9300 .
C20 C22 1.379(8) .
C20 C21 1.480(8) .
C21 O8 1.247(7) .
C21 O9 1.267(8) .
C22 H22 0.9300 .
C23 O10 1.208(8) .
C23 N4 1.345(8) .
C23 C24 1.508(8) .
C24 C25 1.381(9) .
C24 C28 1.383(10) .
C25 C26 1.383(9) .
C25 H25 0.9300 .
C26 N3 1.331(9) .
C26 H26 0.9300 .
C27 N3 1.309(9) .
C27 C28 1.371(9) .
C27 H27 0.9300 .
C28 H28 0.9300 .
N2 H2 0.8600 .
N3 Ag1 2.155(5) 5_666
N4 H4 0.8600 .
O3 Sm1 2.317(4) 2
O4 Sm1 2.367(4) 6_575
O8 Sm1 2.369(4) 5_566
O9 Sm1 2.335(4) 1_545
O1W H1WC 0.8501 .
O1W H1WD 0.8500 .
O3W H3WD 0.8500 .
O3W H3WB 0.8500 .
O4W H4WB 0.8499 .
O4W H4WC 0.8501 .
O2W H2WA 0.8500 .
O2W H2WB 0.8499 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O1 C1 C2 C3 -172.4(6) . .
O2 C1 C2 C3 8.3(9) . .
O1 C1 C2 C8 11.6(9) . .
O2 C1 C2 C8 -167.7(6) . .
C8 C2 C3 C4 4.7(10) . .
C1 C2 C3 C4 -171.3(6) . .
C2 C3 C4 C5 -0.2(10) . .
C2 C3 C4 N2 -179.2(6) . .
C3 C4 C5 C6 -4.4(9) . .
N2 C4 C5 C6 174.6(6) . .
C4 C5 C6 C8 4.3(9) . .
C4 C5 C6 C7 -175.4(5) . .
C5 C6 C7 O4 -24.4(8) . .
C8 C6 C7 O4 155.8(6) . .
C5 C6 C7 O3 154.1(6) . .
C8 C6 C7 O3 -25.7(8) . .
C5 C6 C8 C2 0.2(9) . .
C7 C6 C8 C2 -180.0(5) . .
C3 C2 C8 C6 -4.7(9) . .
C1 C2 C8 C6 171.3(5) . .
O5 C9 C10 C14 30.5(9) . .
N2 C9 C10 C14 -150.3(6) . .
O5 C9 C10 C11 -145.3(7) . .
N2 C9 C10 C11 33.9(8) . .
C14 C10 C11 C12 -0.5(9) . .
C9 C10 C11 C12 175.3(6) . .
C10 C11 C12 N1 -0.8(11) . .
C11 C10 C14 C13 0.2(10) . .
C9 C10 C14 C13 -175.8(6) . .
N1 C13 C14 C10 1.5(11) . .
O7 C15 C16 C17 -37.0(8) . .
O6 C15 C16 C17 142.9(6) . .
O7 C15 C16 C22 145.4(6) . .
O6 C15 C16 C22 -34.8(8) . .
C22 C16 C17 C18 1.9(8) . .
C15 C16 C17 C18 -175.7(5) . .
C16 C17 C18 C19 1.9(9) . .
C16 C17 C18 N4 178.7(5) . .
C17 C18 C19 C20 -2.7(9) . .
N4 C18 C19 C20 -179.6(5) . .
C18 C19 C20 C22 -0.2(8) . .
C18 C19 C20 C21 175.6(5) . .
C22 C20 C21 O8 -25.9(8) . .
C19 C20 C21 O8 158.3(5) . .
C22 C20 C21 O9 152.2(6) . .
C19 C20 C21 O9 -23.6(8) . .
C19 C20 C22 C16 4.0(8) . .
C21 C20 C22 C16 -171.8(5) . .
C17 C16 C22 C20 -4.9(8) . .
C15 C16 C22 C20 172.8(5) . .
O10 C23 C24 C25 -149.1(8) . .
N4 C23 C24 C25 32.5(10) . .
O10 C23 C24 C28 29.1(10) . .
N4 C23 C24 C28 -149.3(6) . .
C28 C24 C25 C26 -0.1(9) . .
C23 C24 C25 C26 178.1(6) . .
C24 C25 C26 N3 2.6(11) . .
N3 C27 C28 C24 1.4(10) . .
C25 C24 C28 C27 -1.8(9) . .
C23 C24 C28 C27 179.9(6) . .
C11 C12 N1 C13 2.5(11) . .
C11 C12 N1 Ag1 -166.9(5) . .
C14 C13 N1 C12 -2.8(10) . .
C14 C13 N1 Ag1 166.7(5) . .
N3 Ag1 N1 C12 -13.6(14) 5_666 .
Ag1 Ag1 N1 C12 84.5(5) 2_655 .
N3 Ag1 N1 C13 177.2(10) 5_666 .
Ag1 Ag1 N1 C13 -84.7(5) 2_655 .
O5 C9 N2 C4 4.5(10) . .
C10 C9 N2 C4 -174.7(5) . .
C3 C4 N2 C9 -142.5(6) . .
C5 C4 N2 C9 38.5(9) . .
C28 C27 N3 C26 1.1(10) . .
C28 C27 N3 Ag1 -169.9(5) . 5_666
C25 C26 N3 C27 -3.1(11) . .
C25 C26 N3 Ag1 167.6(5) . 5_666
O10 C23 N4 C18 -5.0(11) . .
C24 C23 N4 C18 173.2(5) . .
C17 C18 N4 C23 149.7(6) . .
C19 C18 N4 C23 -33.4(9) . .
O2 C1 O1 Sm1 4.6(6) . .
C2 C1 O1 Sm1 -174.7(5) . .
O3 Sm1 O1 C1 157.0(4) 2 .
O9 Sm1 O1 C1 77.3(4) 1_565 .
O4 Sm1 O1 C1 28.6(5) 6_576 .
O8 Sm1 O1 C1 -152.2(3) 5_566 .
O7 Sm1 O1 C1 -55.5(4) . .
O6 Sm1 O1 C1 -98.2(4) . .
O2 Sm1 O1 C1 -2.5(3) . .
O1 C1 O2 Sm1 -4.7(6) . .
C2 C1 O2 Sm1 174.7(5) . .
O3 Sm1 O2 C1 -22.1(4) 2 .
O9 Sm1 O2 C1 -87.3(4) 1_565 .
O4 Sm1 O2 C1 -160.4(4) 6_576 .
O8 Sm1 O2 C1 120.9(4) 5_566 .
O7 Sm1 O2 C1 129.2(4) . .
O6 Sm1 O2 C1 76.7(4) . .
O1 Sm1 O2 C1 2.5(3) . .
O4 C7 O3 Sm1 -30.2(18) . 2
C6 C7 O3 Sm1 151.4(12) . 2
O3 C7 O4 Sm1 11.0(8) . 6_575
C6 C7 O4 Sm1 -170.6(4) . 6_575
O7 C15 O6 Sm1 -6.4(6) . .
C16 C15 O6 Sm1 173.7(5) . .
O3 Sm1 O6 C15 -158.6(4) 2 .
O9 Sm1 O6 C15 117.3(4) 1_565 .
O4 Sm1 O6 C15 -19.0(4) 6_576 .
O8 Sm1 O6 C15 -86.8(4) 5_566 .
O7 Sm1 O6 C15 3.5(3) . .
O2 Sm1 O6 C15 76.8(4) . .
O1 Sm1 O6 C15 128.3(4) . .
O6 C15 O7 Sm1 6.5(6) . .
C16 C15 O7 Sm1 -173.7(5) . .
O3 Sm1 O7 C15 31.8(5) 2 .
O9 Sm1 O7 C15 -152.2(3) 1_565 .
O4 Sm1 O7 C15 157.0(4) 6_576 .
O8 Sm1 O7 C15 77.2(4) 5_566 .
O6 Sm1 O7 C15 -3.5(3) . .
O2 Sm1 O7 C15 -99.5(4) . .
O1 Sm1 O7 C15 -58.8(4) . .
O9 C21 O8 Sm1 67.5(8) . 5_566
C20 C21 O8 Sm1 -114.6(5) . 5_566
O8 C21 O9 Sm1 -49.9(9) . 1_545
C20 C21 O9 Sm1 132.1(5) . 1_545
