#------------------------------------------------------------------------------
#$Date: 2019-11-28 16:29:13 +0200 (Thu, 28 Nov 2019) $
#$Revision: 244108 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/83/7238302.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_7238302
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 H18 Ag N4 Nd O11'
_chemical_formula_weight         838.57
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                107.747(2)
_cell_angle_beta                 106.8520(10)
_cell_angle_gamma                102.640(2)
_cell_formula_units_Z            2
_cell_length_a                   10.4585(11)
_cell_length_b                   11.0901(12)
_cell_length_c                   13.6890(15)
_cell_measurement_temperature    293(2)
_cell_volume                     1362.6(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_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  0.0509
_diffrn_reflns_av_sigmaI/netI    0.0514
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            6953
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    2.676
_exptl_absorpt_correction_T_max  0.7757
_exptl_absorpt_correction_T_min  0.6445
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_density_diffrn    2.044
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             818
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.766
_refine_diff_density_min         -1.754
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         4847
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0331
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0484P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0829
_refine_ls_wR_factor_ref         0.0843
_reflns_number_gt                4468
_reflns_number_total             4847
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c005207h.txt
_cod_data_source_block           8
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' 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_sg_symbol_H-M      'P-1 '
_cod_database_code               7238302
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 -0.11620(4) -0.26702(6) 0.05076(3) 0.05461(16) Uani 1 1 d .
Nd1 Nd 1.36393(2) 0.04657(2) 0.888277(16) 0.01395(9) Uani 1 1 d .
C1 C 1.3225(4) 0.7433(4) 0.8988(3) 0.0175(8) Uani 1 1 d .
C2 C 1.2937(4) 0.6021(4) 0.8231(3) 0.0194(9) Uani 1 1 d .
C3 C 1.2459(5) 0.5659(4) 0.7094(3) 0.0221(9) Uani 1 1 d .
H3 H 1.2238 0.6271 0.6795 0.027 Uiso 1 1 calc R
C4 C 1.2310(5) 0.4384(4) 0.6401(3) 0.0217(9) Uani 1 1 d .
C5 C 1.2635(5) 0.3475(4) 0.6844(3) 0.0235(9) Uani 1 1 d .
H5 H 1.2557 0.2628 0.6382 0.028 Uiso 1 1 calc R
C6 C 1.3079(4) 0.3830(4) 0.7985(3) 0.0188(9) Uani 1 1 d .
C7 C 1.3232(4) 0.5095(4) 0.8673(3) 0.0203(9) Uani 1 1 d .
H7 H 1.3534 0.5330 0.9436 0.024 Uiso 1 1 calc R
C8 C 1.3439(4) 0.2832(4) 0.8443(3) 0.0194(9) Uani 1 1 d .
C9 C 1.2549(5) 0.4761(5) 0.4802(4) 0.0284(10) Uani 1 1 d .
C10 C 1.2166(5) 0.4224(5) 0.3571(4) 0.0285(10) Uani 1 1 d .
C11 C 1.3245(5) 0.4426(5) 0.3190(4) 0.0342(11) Uani 1 1 d .
H11 H 1.4183 0.4861 0.3689 0.041 Uiso 1 1 calc R
C12 C 1.2926(6) 0.3981(5) 0.2073(4) 0.0374(12) Uani 1 1 d .
H12 H 1.3668 0.4098 0.1828 0.045 Uiso 1 1 calc R
C13 C 1.0558(5) 0.3191(6) 0.1690(4) 0.0383(12) Uani 1 1 d .
H13 H 0.9627 0.2764 0.1176 0.046 Uiso 1 1 calc R
C14 C 1.0794(5) 0.3589(5) 0.2795(4) 0.0330(11) Uani 1 1 d .
H14 H 1.0038 0.3434 0.3021 0.040 Uiso 1 1 calc R
C15 C 0.6730(4) -0.0671(4) 0.9037(3) 0.0186(9) Uani 1 1 d .
C16 C 0.7024(4) -0.0835(4) 0.8008(3) 0.0176(8) Uani 1 1 d .
C17 C 0.8404(4) -0.0553(4) 0.8045(3) 0.0189(9) Uani 1 1 d .
H17 H 0.9163 -0.0242 0.8721 0.023 Uiso 1 1 calc R
C18 C 0.8650(4) -0.0731(4) 0.7080(3) 0.0192(9) Uani 1 1 d .
C19 C 0.7498(4) -0.1194(4) 0.6071(3) 0.0200(9) Uani 1 1 d .
H19 H 0.7652 -0.1312 0.5418 0.024 Uiso 1 1 calc R
C20 C 0.6144(4) -0.1474(4) 0.6043(3) 0.0185(8) Uani 1 1 d .
C21 C 0.5892(4) -0.1326(4) 0.6999(3) 0.0193(9) Uani 1 1 d .
H21 H 0.4966 -0.1555 0.6967 0.023 Uiso 1 1 calc R
C22 C 1.0100(4) -0.0593(4) 0.7072(3) 0.0193(9) Uani 1 1 d .
C23 C 0.4799(4) -0.1532(4) 0.4226(3) 0.0211(9) Uani 1 1 d .
C24 C 0.3323(4) -0.2096(4) 0.3340(3) 0.0225(9) Uani 1 1 d .
C25 C 0.3173(5) -0.2318(6) 0.2266(4) 0.0340(12) Uani 1 1 d .
H25 H 0.3964 -0.2189 0.2079 0.041 Uiso 1 1 calc R
C26 C 0.1830(5) -0.2737(6) 0.1467(4) 0.0403(13) Uani 1 1 d .
H26 H 0.1731 -0.2928 0.0733 0.048 Uiso 1 1 calc R
C27 C 0.0833(5) -0.2678(6) 0.2745(4) 0.0432(14) Uani 1 1 d .
H27 H 0.0029 -0.2799 0.2918 0.052 Uiso 1 1 calc R
C28 C 0.2123(5) -0.2305(6) 0.3573(4) 0.0350(12) Uani 1 1 d .
H28 H 0.2189 -0.2193 0.4290 0.042 Uiso 1 1 calc R
N1 N 1.1593(4) 0.3382(5) 0.1313(3) 0.0358(10) Uani 1 1 d .
N2 N 1.1885(4) 0.4010(4) 0.5223(3) 0.0237(8) Uani 1 1 d .
H2 H 1.1186 0.3284 0.4779 0.028 Uiso 1 1 calc R
N3 N 0.0671(4) -0.2879(5) 0.1696(3) 0.0370(10) Uani 1 1 d .
N4 N 0.4934(4) -0.1999(4) 0.5032(3) 0.0230(8) Uani 1 1 d .
H4 H 0.4238 -0.2665 0.4931 0.028 Uiso 1 1 calc R
O1 O 1.4022(3) 0.7814(3) 0.9990(2) 0.0230(6) Uani 1 1 d .
O2 O 1.2655(3) 0.8144(3) 0.8578(2) 0.0228(6) Uani 1 1 d .
O3 O 1.3336(3) 0.2862(3) 0.9347(2) 0.0217(6) Uani 1 1 d .
O4 O 1.3825(3) 0.1967(3) 0.7896(2) 0.0246(7) Uani 1 1 d .
O5 O 1.3473(5) 0.5857(4) 0.5380(3) 0.0574(13) Uani 1 1 d .
O6 O 0.5538(3) -0.0608(3) 0.9041(2) 0.0197(6) Uani 1 1 d .
O7 O 0.7659(3) -0.0624(3) 0.9874(2) 0.0289(7) Uani 1 1 d .
O8 O 1.0191(3) -0.1319(3) 0.6207(2) 0.0310(8) Uani 1 1 d .
O9 O 1.1140(3) 0.0215(3) 0.7941(2) 0.0240(7) Uani 1 1 d .
O10 O 0.5751(3) -0.0701(3) 0.4207(2) 0.0288(7) Uani 1 1 d .
O1W O 1.3003(3) -0.0811(3) 0.6829(2) 0.0228(6) Uani 1 1 d .
H1WB H 1.3469 -0.0324 0.6589 0.027 Uiso 1 1 d R
H1WA H 1.2125 -0.0989 0.6476 0.027 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'
N N 0.0061 0.0033 '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'
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'
H H 0.0000 0.0000 '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 121.46(15) . 2_655
N3 Ag1 O3 124.61(12) . 2_656
N1 Ag1 O3 106.23(13) 2_655 2_656
O2 Nd1 O1 133.54(9) 1_545 2_867
O2 Nd1 O4 142.20(10) 1_545 .
O1 Nd1 O4 75.81(10) 2_867 .
O2 Nd1 O7 78.19(11) 1_545 2_757
O1 Nd1 O7 105.05(10) 2_867 2_757
O4 Nd1 O7 122.11(10) . 2_757
O2 Nd1 O9 83.60(10) 1_545 .
O1 Nd1 O9 141.36(10) 2_867 .
O4 Nd1 O9 77.38(10) . .
O7 Nd1 O9 67.47(9) 2_757 .
O2 Nd1 O6 69.70(9) 1_545 1_655
O1 Nd1 O6 69.88(9) 2_867 1_655
O4 Nd1 O6 112.81(9) . 1_655
O7 Nd1 O6 121.74(9) 2_757 1_655
O9 Nd1 O6 147.51(10) . 1_655
O2 Nd1 O1W 75.74(10) 1_545 .
O1 Nd1 O1W 119.35(9) 2_867 .
O4 Nd1 O1W 67.75(9) . .
O7 Nd1 O1W 135.20(10) 2_757 .
O9 Nd1 O1W 73.92(9) . .
O6 Nd1 O1W 81.61(9) 1_655 .
O2 Nd1 O3 147.35(9) 1_545 .
O1 Nd1 O3 71.50(9) 2_867 .
O4 Nd1 O3 50.68(9) . .
O7 Nd1 O3 74.17(10) 2_757 .
O9 Nd1 O3 70.02(10) . .
O6 Nd1 O3 140.93(9) 1_655 .
O1W Nd1 O3 113.08(9) . .
O2 Nd1 O6 78.80(9) 1_545 2_757
O1 Nd1 O6 70.07(9) 2_867 2_757
O4 Nd1 O6 139.00(9) . 2_757
O7 Nd1 O6 50.38(9) 2_757 2_757
O9 Nd1 O6 117.52(9) . 2_757
O6 Nd1 O6 76.03(9) 1_655 2_757
O1W Nd1 O6 150.65(9) . 2_757
O3 Nd1 O6 96.23(8) . 2_757
O2 Nd1 C15 77.53(10) 1_545 2_757
O1 Nd1 C15 87.50(11) 2_867 2_757
O4 Nd1 C15 134.91(10) . 2_757
O7 Nd1 C15 24.83(10) 2_757 2_757
O9 Nd1 C15 92.17(11) . 2_757
O6 Nd1 C15 99.49(10) 1_655 2_757
O1W Nd1 C15 151.00(11) . 2_757
O3 Nd1 C15 84.39(10) . 2_757
O6 Nd1 C15 25.55(10) 2_757 2_757
O2 Nd1 Nd1 70.08(7) 1_545 2_857
O1 Nd1 Nd1 64.25(7) 2_867 2_857
O4 Nd1 Nd1 136.98(7) . 2_857
O7 Nd1 Nd1 84.77(7) 2_757 2_857
O9 Nd1 Nd1 145.25(7) . 2_857
O6 Nd1 Nd1 39.24(6) 1_655 2_857
O1W Nd1 Nd1 118.57(6) . 2_857
O3 Nd1 Nd1 123.36(6) . 2_857
O6 Nd1 Nd1 36.78(6) 2_757 2_857
C15 Nd1 Nd1 60.89(8) 2_757 2_857
O2 C1 O1 125.0(4) . .
O2 C1 C2 117.8(3) . .
O1 C1 C2 117.2(4) . .
C3 C2 C7 119.9(4) . .
C3 C2 C1 120.0(4) . .
C7 C2 C1 120.0(4) . .
C2 C3 C4 120.0(4) . .
C2 C3 H3 120.0 . .
C4 C3 H3 120.0 . .
C5 C4 C3 120.0(4) . .
C5 C4 N2 119.0(4) . .
C3 C4 N2 120.9(4) . .
C4 C5 C6 119.8(4) . .
C4 C5 H5 120.1 . .
C6 C5 H5 120.1 . .
C7 C6 C5 120.2(4) . .
C7 C6 C8 121.1(4) . .
C5 C6 C8 118.7(4) . .
C6 C7 C2 120.1(4) . .
C6 C7 H7 120.0 . .
C2 C7 H7 120.0 . .
O4 C8 O3 121.7(4) . .
O4 C8 C6 117.6(4) . .
O3 C8 C6 120.7(4) . .
O5 C9 N2 122.7(4) . .
O5 C9 C10 118.7(4) . .
N2 C9 C10 118.6(4) . .
C11 C10 C14 117.9(4) . .
C11 C10 C9 118.1(4) . .
C14 C10 C9 124.0(4) . .
C12 C11 C10 119.4(5) . .
C12 C11 H11 120.3 . .
C10 C11 H11 120.3 . .
N1 C12 C11 123.1(5) . .
N1 C12 H12 118.5 . .
C11 C12 H12 118.5 . .
N1 C13 C14 123.3(5) . .
N1 C13 H13 118.3 . .
C14 C13 H13 118.3 . .
C13 C14 C10 119.3(5) . .
C13 C14 H14 120.4 . .
C10 C14 H14 120.4 . .
O7 C15 O6 121.1(4) . .
O7 C15 C16 119.1(4) . .
O6 C15 C16 119.8(4) . .
O7 C15 Nd1 55.8(2) . 2_757
O6 C15 Nd1 65.3(2) . 2_757
C16 C15 Nd1 174.5(3) . 2_757
C21 C16 C17 119.9(4) . .
C21 C16 C15 118.9(4) . .
C17 C16 C15 121.2(4) . .
C18 C17 C16 120.2(4) . .
C18 C17 H17 119.9 . .
C16 C17 H17 119.9 . .
C17 C18 C19 119.2(4) . .
C17 C18 C22 121.4(4) . .
C19 C18 C22 119.0(4) . .
C20 C19 C18 120.1(4) . .
C20 C19 H19 119.9 . .
C18 C19 H19 119.9 . .
C19 C20 C21 120.8(4) . .
C19 C20 N4 122.3(4) . .
C21 C20 N4 116.8(4) . .
C20 C21 C16 119.6(4) . .
C20 C21 H21 120.2 . .
C16 C21 H21 120.2 . .
O8 C22 O9 124.7(4) . .
O8 C22 C18 117.7(4) . .
O9 C22 C18 117.5(4) . .
O10 C23 N4 124.2(4) . .
O10 C23 C24 121.6(4) . .
N4 C23 C24 114.1(4) . .
C25 C24 C28 118.4(4) . .
C25 C24 C23 118.7(4) . .
C28 C24 C23 122.8(4) . .
C24 C25 C26 118.9(4) . .
C24 C25 H25 120.6 . .
C26 C25 H25 120.6 . .
N3 C26 C25 123.0(4) . .
N3 C26 H26 118.5 . .
C25 C26 H26 118.5 . .
N3 C27 C28 122.9(5) . .
N3 C27 H27 118.5 . .
C28 C27 H27 118.5 . .
C27 C28 C24 119.4(4) . .
C27 C28 H28 120.3 . .
C24 C28 H28 120.3 . .
C13 N1 C12 117.0(4) . .
C13 N1 Ag1 122.1(3) . 2_655
C12 N1 Ag1 120.8(3) . 2_655
C9 N2 C4 121.7(4) . .
C9 N2 H2 119.2 . .
C4 N2 H2 119.2 . .
C26 N3 C27 117.3(4) . .
C26 N3 Ag1 115.5(3) . .
C27 N3 Ag1 123.2(3) . .
C23 N4 C20 124.9(4) . .
C23 N4 H4 117.6 . .
C20 N4 H4 117.6 . .
C1 O1 Nd1 131.6(3) . 2_867
C1 O2 Nd1 129.5(3) . 1_565
C8 O3 Ag1 118.6(3) . 2_656
C8 O3 Nd1 88.3(2) . .
Ag1 O3 Nd1 108.15(11) 2_656 .
C8 O4 Nd1 98.1(2) . .
C15 O6 Nd1 153.0(3) . 1_455
C15 O6 Nd1 89.1(2) . 2_757
Nd1 O6 Nd1 103.97(9) 1_455 2_757
C15 O7 Nd1 99.4(2) . 2_757
C22 O9 Nd1 137.6(3) . .
Nd1 O1W H1WB 109.4 . .
Nd1 O1W H1WA 109.4 . .
H1WB O1W H1WA 108.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N3 2.235(4) .
Ag1 N1 2.243(4) 2_655
Ag1 O3 2.309(3) 2_656
Nd1 O2 2.409(3) 1_545
Nd1 O1 2.445(3) 2_867
Nd1 O4 2.453(3) .
Nd1 O7 2.457(3) 2_757
Nd1 O9 2.465(3) .
Nd1 O6 2.521(3) 1_655
Nd1 O1W 2.535(3) .
Nd1 O3 2.650(3) .
Nd1 O6 2.663(3) 2_757
Nd1 C15 2.931(4) 2_757
C1 O2 1.254(5) .
C1 O1 1.260(5) .
C1 C2 1.497(6) .
C2 C3 1.384(6) .
C2 C7 1.387(6) .
C3 C4 1.387(6) .
C3 H3 0.9300 .
C4 C5 1.380(6) .
C4 N2 1.436(5) .
C5 C6 1.390(6) .
C5 H5 0.9300 .
C6 C7 1.375(6) .
C6 C8 1.493(5) .
C7 H7 0.9300 .
C8 O4 1.245(5) .
C8 O3 1.264(5) .
C9 O5 1.222(6) .
C9 N2 1.334(6) .
C9 C10 1.499(6) .
C10 C11 1.378(7) .
C10 C14 1.379(7) .
C11 C12 1.365(7) .
C11 H11 0.9300 .
C12 N1 1.342(6) .
C12 H12 0.9300 .
C13 N1 1.332(6) .
C13 C14 1.369(6) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 O7 1.247(5) .
C15 O6 1.264(5) .
C15 C16 1.494(5) .
C15 Nd1 2.931(4) 2_757
C16 C21 1.385(5) .
C16 C17 1.390(6) .
C17 C18 1.382(6) .
C17 H17 0.9300 .
C18 C19 1.399(6) .
C18 C22 1.494(6) .
C19 C20 1.368(6) .
C19 H19 0.9300 .
C20 C21 1.378(6) .
C20 N4 1.424(5) .
C21 H21 0.9300 .
C22 O8 1.255(5) .
C22 O9 1.255(5) .
C23 O10 1.212(5) .
C23 N4 1.339(5) .
C23 C24 1.509(6) .
C24 C25 1.369(6) .
C24 C28 1.371(6) .
C25 C26 1.378(6) .
C25 H25 0.9300 .
C26 N3 1.326(6) .
C26 H26 0.9300 .
C27 N3 1.337(6) .
C27 C28 1.364(6) .
C27 H27 0.9300 .
C28 H28 0.9300 .
N1 Ag1 2.243(4) 2_655
N2 H2 0.8600 .
N4 H4 0.8600 .
O1 Nd1 2.445(3) 2_867
O2 Nd1 2.409(3) 1_565
O3 Ag1 2.309(3) 2_656
O6 Nd1 2.521(3) 1_455
O6 Nd1 2.663(3) 2_757
O7 Nd1 2.457(3) 2_757
O1W H1WB 0.8500 .
O1W H1WA 0.8500 .
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
O2 C1 C2 C3 20.1(6) . .
O1 C1 C2 C3 -160.0(4) . .
O2 C1 C2 C7 -163.9(4) . .
O1 C1 C2 C7 16.0(6) . .
C7 C2 C3 C4 -1.6(6) . .
C1 C2 C3 C4 174.4(4) . .
C2 C3 C4 C5 0.2(7) . .
C2 C3 C4 N2 -176.8(4) . .
C3 C4 C5 C6 1.5(7) . .
N2 C4 C5 C6 178.6(4) . .
C4 C5 C6 C7 -1.8(6) . .
C4 C5 C6 C8 -179.3(4) . .
C5 C6 C7 C2 0.3(6) . .
C8 C6 C7 C2 177.8(4) . .
C3 C2 C7 C6 1.4(6) . .
C1 C2 C7 C6 -174.6(4) . .
C7 C6 C8 O4 -152.0(4) . .
C5 C6 C8 O4 25.5(6) . .
C7 C6 C8 O3 28.8(6) . .
C5 C6 C8 O3 -153.7(4) . .
O5 C9 C10 C11 39.2(7) . .
N2 C9 C10 C11 -139.4(5) . .
O5 C9 C10 C14 -138.0(5) . .
N2 C9 C10 C14 43.3(7) . .
C14 C10 C11 C12 -0.8(8) . .
C9 C10 C11 C12 -178.2(5) . .
C10 C11 C12 N1 2.0(8) . .
N1 C13 C14 C10 0.1(8) . .
C11 C10 C14 C13 -0.2(7) . .
C9 C10 C14 C13 177.1(5) . .
O7 C15 C16 C21 158.8(4) . .
O6 C15 C16 C21 -19.8(6) . .
O7 C15 C16 C17 -18.8(6) . .
O6 C15 C16 C17 162.6(4) . .
C21 C16 C17 C18 1.5(6) . .
C15 C16 C17 C18 179.0(4) . .
C16 C17 C18 C19 0.2(6) . .
C16 C17 C18 C22 -172.7(4) . .
C17 C18 C19 C20 -0.4(6) . .
C22 C18 C19 C20 172.6(4) . .
C18 C19 C20 C21 -1.0(7) . .
C18 C19 C20 N4 -177.4(4) . .
C19 C20 C21 C16 2.7(6) . .
N4 C20 C21 C16 179.2(4) . .
C17 C16 C21 C20 -2.9(6) . .
C15 C16 C21 C20 179.5(4) . .
C17 C18 C22 O8 147.5(4) . .
C19 C18 C22 O8 -25.5(6) . .
C17 C18 C22 O9 -30.6(6) . .
C19 C18 C22 O9 156.5(4) . .
O10 C23 C24 C25 36.9(7) . .
N4 C23 C24 C25 -145.1(4) . .
O10 C23 C24 C28 -138.4(5) . .
N4 C23 C24 C28 39.7(6) . .
C28 C24 C25 C26 0.2(8) . .
C23 C24 C25 C26 -175.2(5) . .
C24 C25 C26 N3 3.1(9) . .
N3 C27 C28 C24 1.3(9) . .
C25 C24 C28 C27 -2.3(8) . .
C23 C24 C28 C27 172.9(5) . .
C14 C13 N1 C12 1.0(8) . .
C14 C13 N1 Ag1 178.6(4) . 2_655
C11 C12 N1 C13 -2.0(8) . .
C11 C12 N1 Ag1 -179.7(4) . 2_655
O5 C9 N2 C4 -6.1(8) . .
C10 C9 N2 C4 172.6(4) . .
C5 C4 N2 C9 -125.3(5) . .
C3 C4 N2 C9 51.7(6) . .
C25 C26 N3 C27 -4.1(9) . .
C25 C26 N3 Ag1 154.1(5) . .
C28 C27 N3 C26 1.8(9) . .
C28 C27 N3 Ag1 -154.5(5) . .
N1 Ag1 N3 C26 34.8(5) 2_655 .
O3 Ag1 N3 C26 179.9(4) 2_656 .
N1 Ag1 N3 C27 -168.5(4) 2_655 .
O3 Ag1 N3 C27 -23.4(5) 2_656 .
O10 C23 N4 C20 8.4(7) . .
C24 C23 N4 C20 -169.6(4) . .
C19 C20 N4 C23 -46.2(6) . .
C21 C20 N4 C23 137.3(4) . .
O2 C1 O1 Nd1 -64.8(5) . 2_867
C2 C1 O1 Nd1 115.3(4) . 2_867
O1 C1 O2 Nd1 42.2(5) . 1_565
C2 C1 O2 Nd1 -137.9(3) . 1_565
O4 C8 O3 Ag1 -121.0(4) . 2_656
C6 C8 O3 Ag1 58.2(4) . 2_656
O4 C8 O3 Nd1 -11.2(4) . .
C6 C8 O3 Nd1 168.0(3) . .
O2 Nd1 O3 C8 -121.7(3) 1_545 .
O1 Nd1 O3 C8 92.8(2) 2_867 .
O4 Nd1 O3 C8 6.2(2) . .
O7 Nd1 O3 C8 -154.9(2) 2_757 .
O9 Nd1 O3 C8 -83.6(2) . .
O6 Nd1 O3 C8 83.9(3) 1_655 .
O1W Nd1 O3 C8 -22.0(3) . .
O6 Nd1 O3 C8 159.3(2) 2_757 .
C15 Nd1 O3 C8 -178.0(2) 2_757 .
Nd1 Nd1 O3 C8 132.5(2) 2_857 .
O2 Nd1 O3 Ag1 -2.1(2) 1_545 2_656
O1 Nd1 O3 Ag1 -147.60(13) 2_867 2_656
O4 Nd1 O3 Ag1 125.84(16) . 2_656
O7 Nd1 O3 Ag1 -35.30(11) 2_757 2_656
O9 Nd1 O3 Ag1 36.00(10) . 2_656
O6 Nd1 O3 Ag1 -156.52(10) 1_655 2_656
O1W Nd1 O3 Ag1 97.62(11) . 2_656
O6 Nd1 O3 Ag1 -81.06(11) 2_757 2_656
C15 Nd1 O3 Ag1 -58.37(12) 2_757 2_656
Nd1 Nd1 O3 Ag1 -107.84(9) 2_857 2_656
O3 C8 O4 Nd1 12.2(4) . .
C6 C8 O4 Nd1 -166.9(3) . .
O2 Nd1 O4 C8 129.7(3) 1_545 .
O1 Nd1 O4 C8 -83.9(3) 2_867 .
O7 Nd1 O4 C8 15.2(3) 2_757 .
O9 Nd1 O4 C8 68.0(3) . .
O6 Nd1 O4 C8 -144.5(2) 1_655 .
O1W Nd1 O4 C8 145.6(3) . .
O3 Nd1 O4 C8 -6.4(2) . .
O6 Nd1 O4 C8 -49.6(3) 2_757 .
C15 Nd1 O4 C8 -12.3(3) 2_757 .
Nd1 Nd1 O4 C8 -105.8(2) 2_857 .
O7 C15 O6 Nd1 119.0(5) . 1_455
C16 C15 O6 Nd1 -62.4(7) . 1_455
Nd1 C15 O6 Nd1 120.1(6) 2_757 1_455
O7 C15 O6 Nd1 -1.1(4) . 2_757
C16 C15 O6 Nd1 177.5(3) . 2_757
O6 C15 O7 Nd1 1.2(4) . 2_757
C16 C15 O7 Nd1 -177.4(3) . 2_757
O8 C22 O9 Nd1 -26.4(7) . .
C18 C22 O9 Nd1 151.5(3) . .
O2 Nd1 O9 C22 -49.1(4) 1_545 .
O1 Nd1 O9 C22 145.0(4) 2_867 .
O4 Nd1 O9 C22 98.0(4) . .
O7 Nd1 O9 C22 -129.0(4) 2_757 .
O6 Nd1 O9 C22 -14.8(5) 1_655 .
O1W Nd1 O9 C22 27.8(4) . .
O3 Nd1 O9 C22 150.4(4) . .
O6 Nd1 O9 C22 -123.0(4) 2_757 .
C15 Nd1 O9 C22 -126.3(4) 2_757 .
Nd1 Nd1 O9 C22 -89.4(4) 2_857 .
