#------------------------------------------------------------------------------
#$Date: 2021-05-26 10:25:05 +0300 (Wed, 26 May 2021) $
#$Revision: 265501 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/28/1562861.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_1562861
loop_
_publ_author_name
'Li, Xinfa'
'Cao, Rong'
_publ_section_title
;
 Syntheses, structure and properties of three-dimensional pillared-layer
 Ag(I)--Ln(III) heterometallic coordination polymers based on mixed
 isonicotinate and hemimellitate ligands
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              182
_journal_page_last               186
_journal_paper_doi               10.1016/j.jssc.2012.06.012
_journal_volume                  196
_journal_year                    2012
_chemical_formula_moiety         'C24 H14 Ag N Nd2 O16, H2 O'
_chemical_formula_sum            'C24 H16 Ag N Nd2 O17'
_chemical_formula_weight         986.73
_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_Hall  '-P 1'
_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                104.411(3)
_cell_angle_beta                 98.115(3)
_cell_angle_gamma                98.833(4)
_cell_formula_units_Z            2
_cell_length_a                   8.5858(4)
_cell_length_b                   11.7937(5)
_cell_length_c                   13.6676(5)
_cell_measurement_reflns_used    4585
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1757
_cell_measurement_theta_min      2.4391
_cell_volume                     1301.04(10)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.2083
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_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  0.0280
_diffrn_reflns_av_sigmaI/netI    0.0460
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10011
_diffrn_reflns_theta_full        26.74
_diffrn_reflns_theta_max         26.74
_diffrn_reflns_theta_min         2.44
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_exptl_absorpt_coefficient_mu    4.768
_exptl_absorpt_correction_T_max  0.5549
_exptl_absorpt_correction_T_min  0.4489
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49. 
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            light-purple
_exptl_crystal_density_diffrn    2.519
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block-shaped
_exptl_crystal_F_000             940
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.606
_refine_diff_density_min         -0.921
_refine_diff_density_rms         0.224
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         5480
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0370
_refine_ls_R_factor_gt           0.0290
_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)+(0.0420P)²+4.8000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0714
_refine_ls_wR_factor_ref         0.0869
_reflns_number_gt                4777
_reflns_number_total             5480
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2012-196-182.cif
_cod_data_source_block           Nd-Ag
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_cell_volume        1301.04(9)
_cod_database_code               1562861
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Nd1 Nd 0.54421(3) 0.37815(3) 0.09762(2) 0.01201(9) Uani 1 1 d . . .
Nd2 Nd 0.81613(3) 0.11711(2) 0.11071(2) 0.01035(8) Uani 1 1 d . . .
Ag1 Ag 0.94874(6) 0.54270(4) 0.81195(3) 0.02730(13) Uani 1 1 d . . .
O1 O 0.6189(5) 0.4442(4) -0.0521(3) 0.0183(9) Uani 1 1 d . . .
O2 O 0.5432(5) 0.4490(4) -0.2106(3) 0.0254(10) Uani 1 1 d . . .
O3 O 0.7767(5) 0.2953(3) 0.0496(3) 0.0144(8) Uani 1 1 d . . .
O4 O 0.9979(5) 0.3900(3) 0.0140(3) 0.0171(8) Uani 1 1 d . . .
O5 O 0.9869(5) 0.1365(4) -0.0131(3) 0.0159(8) Uani 1 1 d . . .
O6 O 1.0277(5) 0.0189(4) -0.1569(3) 0.0224(9) Uani 1 1 d . . .
O7 O 0.2979(5) 0.3031(4) 0.1493(3) 0.0225(9) Uani 1 1 d . . .
O8 O 0.0746(5) 0.2446(4) 0.2025(3) 0.0204(9) Uani 1 1 d . . .
O9 O 0.5391(4) 0.1627(3) 0.0928(3) 0.0137(8) Uani 1 1 d . . .
O10 O 0.3194(5) 0.0204(4) 0.0531(3) 0.0201(9) Uani 1 1 d . . .
O11 O 0.6416(5) -0.0272(4) 0.1666(3) 0.0200(9) Uani 1 1 d . . .
O12 O 0.6714(8) -0.0717(6) 0.3160(4) 0.0539(18) Uani 1 1 d . . .
O13 O 0.6649(6) 0.3899(4) 0.2691(3) 0.0256(10) Uani 1 1 d . . .
O14 O 0.7968(5) 0.2428(4) 0.2752(3) 0.0207(9) Uani 1 1 d . . .
O15 O 0.3316(6) 0.2543(4) -0.0539(3) 0.0284(10) Uani 1 1 d . . .
H15B H 0.3399 0.1854 -0.0882 0.043 Uiso 1 1 d R . .
H15C H 0.2439 0.2459 -0.0320 0.043 Uiso 1 1 d R . .
O16 O 0.7860(5) 0.5524(4) 0.1472(3) 0.0269(10) Uani 1 1 d . . .
H16C H 0.7772 0.6056 0.1999 0.040 Uiso 1 1 d R . .
H16B H 0.7926 0.5839 0.0980 0.040 Uiso 1 1 d R . .
N1 N 0.8730(6) 0.4672(5) 0.6439(4) 0.0214(11) Uani 1 1 d . . .
C1 C 0.6171(7) 0.4056(5) -0.1482(4) 0.0160(11) Uani 1 1 d . . .
C2 C 0.8665(6) 0.3213(5) -0.0135(4) 0.0112(11) Uani 1 1 d . . .
C3 C 0.9701(6) 0.1030(5) -0.1096(4) 0.0130(11) Uani 1 1 d . . .
C4 C 0.7031(7) 0.3072(5) -0.1887(4) 0.0143(11) Uani 1 1 d . . .
C5 C 0.8092(7) 0.2626(5) -0.1269(4) 0.0142(11) Uani 1 1 d . . .
C6 C 0.8745(7) 0.1650(5) -0.1727(4) 0.0144(11) Uani 1 1 d . . .
C7 C 0.8492(7) 0.1221(5) -0.2787(4) 0.0209(13) Uani 1 1 d . . .
H7A H 0.8982 0.0607 -0.3090 0.025 Uiso 1 1 calc R . .
C8 C 0.7512(8) 0.1703(5) -0.3395(4) 0.0238(14) Uani 1 1 d . . .
H8A H 0.7360 0.1421 -0.4108 0.029 Uiso 1 1 calc R . .
C9 C 0.6754(7) 0.2601(5) -0.2955(4) 0.0196(12) Uani 1 1 d . . .
H9A H 0.6056 0.2892 -0.3371 0.024 Uiso 1 1 calc R . .
C10 C 0.2204(7) 0.2464(5) 0.2002(4) 0.0161(12) Uani 1 1 d . . .
C11 C 0.4278(6) 0.0956(5) 0.1167(4) 0.0122(11) Uani 1 1 d . . .
C12 C 0.6155(7) -0.0182(6) 0.2575(5) 0.0233(13) Uani 1 1 d . . .
C13 C 0.3094(7) 0.1847(5) 0.2669(4) 0.0171(12) Uani 1 1 d . . .
C14 C 0.4171(6) 0.1157(5) 0.2284(4) 0.0146(11) Uani 1 1 d . . .
C15 C 0.5047(7) 0.0641(5) 0.2943(4) 0.0174(12) Uani 1 1 d . . .
C16 C 0.4859(8) 0.0869(6) 0.3964(5) 0.0254(14) Uani 1 1 d . . .
H16A H 0.5478 0.0559 0.4409 0.030 Uiso 1 1 calc R . .
C17 C 0.3770(9) 0.1549(6) 0.4338(5) 0.0309(15) Uani 1 1 d . . .
H17A H 0.3656 0.1689 0.5022 0.037 Uiso 1 1 calc R . .
C18 C 0.2864(8) 0.2010(6) 0.3671(5) 0.0257(14) Uani 1 1 d . . .
H18A H 0.2093 0.2432 0.3898 0.031 Uiso 1 1 calc R . .
C19 C 0.7452(7) 0.3335(5) 0.3157(4) 0.0158(11) Uani 1 1 d . . .
C20 C 0.7851(7) 0.3779(5) 0.4314(4) 0.0169(12) Uani 1 1 d . . .
C21 C 0.9093(8) 0.3437(6) 0.4859(4) 0.0231(13) Uani 1 1 d . . .
H21A H 0.9640 0.2883 0.4521 0.028 Uiso 1 1 calc R . .
C22 C 0.9510(8) 0.3928(6) 0.5911(5) 0.0267(14) Uani 1 1 d . . .
H22A H 1.0384 0.3725 0.6265 0.032 Uiso 1 1 calc R . .
C23 C 0.7484(8) 0.4964(6) 0.5916(4) 0.0248(14) Uani 1 1 d . . .
H23A H 0.6895 0.5460 0.6282 0.030 Uiso 1 1 calc R . .
C24 C 0.7035(8) 0.4565(6) 0.4869(4) 0.0232(13) Uani 1 1 d . . .
H24A H 0.6193 0.4819 0.4532 0.028 Uiso 1 1 calc R . .
O17 O 0.7622(8) -0.2791(6) 0.3123(5) 0.0645(18) Uani 1 1 d U . .
H17B H 0.6879 -0.3120 0.3370 0.097 Uiso 1 1 d R . .
H17C H 0.7455 -0.2089 0.3170 0.097 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'
Nd Nd -0.1943 3.0179 '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
O13 Nd1 O7 83.92(15) . .
O13 Nd1 O3 84.74(13) . .
O7 Nd1 O3 135.22(13) . .
O13 Nd1 O1 138.51(15) . .
O7 Nd1 O1 136.72(13) . .
O3 Nd1 O1 71.07(12) . .
O13 Nd1 O2 74.60(13) . 2_665
O7 Nd1 O2 71.40(15) . 2_665
O3 Nd1 O2 144.66(14) . 2_665
O1 Nd1 O2 106.48(13) . 2_665
O13 Nd1 O9 76.91(13) . .
O7 Nd1 O9 72.11(13) . .
O3 Nd1 O9 63.13(12) . .
O1 Nd1 O9 117.58(12) . .
O2 Nd1 O9 135.42(13) 2_665 .
O13 Nd1 O15 143.63(16) . .
O7 Nd1 O15 67.65(15) . .
O3 Nd1 O15 99.41(14) . .
O1 Nd1 O15 75.18(15) . .
O2 Nd1 O15 114.29(14) 2_665 .
O9 Nd1 O15 73.15(13) . .
O13 Nd1 O16 74.42(15) . .
O7 Nd1 O16 143.17(14) . .
O3 Nd1 O16 72.68(13) . .
O1 Nd1 O16 66.53(14) . .
O2 Nd1 O16 74.28(15) 2_665 .
O9 Nd1 O16 128.76(13) . .
O15 Nd1 O16 141.47(15) . .
O13 Nd1 O1 121.83(12) . 2_665
O7 Nd1 O1 84.95(13) . 2_665
O3 Nd1 O1 136.53(12) . 2_665
O1 Nd1 O1 66.59(13) . 2_665
O2 Nd1 O1 47.83(11) 2_665 2_665
O9 Nd1 O1 149.10(12) . 2_665
O15 Nd1 O1 79.18(13) . 2_665
O16 Nd1 O1 81.85(13) . 2_665
O6 Nd2 O14 102.79(13) 2_755 .
O6 Nd2 O5 86.79(13) 2_755 .
O14 Nd2 O5 133.95(14) . .
O6 Nd2 O10 94.33(14) 2_755 2_655
O14 Nd2 O10 148.35(14) . 2_655
O5 Nd2 O10 72.69(14) . 2_655
O6 Nd2 O11 72.50(14) 2_755 .
O14 Nd2 O11 81.09(14) . .
O5 Nd2 O11 143.35(13) . .
O10 Nd2 O11 78.96(14) 2_655 .
O6 Nd2 O8 75.93(15) 2_755 1_655
O14 Nd2 O8 67.77(14) . 1_655
O5 Nd2 O8 71.40(13) . 1_655
O10 Nd2 O8 143.19(13) 2_655 1_655
O11 Nd2 O8 128.72(14) . 1_655
O6 Nd2 O3 153.67(14) 2_755 .
O14 Nd2 O3 83.85(13) . .
O5 Nd2 O3 71.07(12) . .
O10 Nd2 O3 92.51(13) 2_655 .
O11 Nd2 O3 133.82(13) . .
O8 Nd2 O3 83.41(13) 1_655 .
O6 Nd2 O9 143.69(14) 2_755 .
O14 Nd2 O9 73.31(12) . .
O5 Nd2 O9 122.52(12) . .
O10 Nd2 O9 77.12(13) 2_655 .
O11 Nd2 O9 71.24(13) . .
O8 Nd2 O9 130.41(13) 1_655 .
O3 Nd2 O9 62.63(12) . .
N1 Ag1 O4 174.13(18) . 2_766
N1 Ag1 O8 91.22(16) . 2_666
O4 Ag1 O8 90.86(13) 2_766 2_666
C1 O1 Nd1 142.0(4) . .
C1 O1 Nd1 87.7(3) . 2_665
Nd1 O1 Nd1 113.41(13) . 2_665
C1 O2 Nd1 103.7(3) . 2_665
C2 O3 Nd1 128.6(3) . .
C2 O3 Nd2 116.3(3) . .
Nd1 O3 Nd2 114.40(15) . .
C2 O4 Ag1 108.8(3) . 2_766
C3 O5 Nd2 135.5(4) . .
C3 O6 Nd2 136.0(4) . 2_755
C10 O7 Nd1 152.5(4) . .
C10 O8 Nd2 137.6(3) . 1_455
C10 O8 Ag1 101.0(4) . 2_666
Nd2 O8 Ag1 105.09(14) 1_455 2_666
C11 O9 Nd2 118.8(3) . .
C11 O9 Nd1 124.9(3) . .
Nd2 O9 Nd1 111.72(15) . .
C11 O10 Nd2 158.3(4) . 2_655
C12 O11 Nd2 126.9(4) . .
C19 O13 Nd1 139.2(4) . .
C19 O14 Nd2 142.2(4) . .
Nd1 O15 H15B 121.7 . .
Nd1 O15 H15C 106.7 . .
H15B O15 H15C 106.9 . .
Nd1 O16 H16C 110.6 . .
Nd1 O16 H16B 110.4 . .
H16C O16 H16B 108.7 . .
C22 N1 C23 117.5(5) . .
C22 N1 Ag1 121.0(4) . .
C23 N1 Ag1 121.5(4) . .
O2 C1 O1 120.4(5) . .
O2 C1 C4 118.6(5) . .
O1 C1 C4 121.0(5) . .
O2 C1 Nd1 53.0(3) . 2_665
O1 C1 Nd1 67.7(3) . 2_665
C4 C1 Nd1 169.9(4) . 2_665
O4 C2 O3 123.8(5) . .
O4 C2 C5 117.8(5) . .
O3 C2 C5 118.4(5) . .
O6 C3 O5 123.5(5) . .
O6 C3 C6 117.4(5) . .
O5 C3 C6 119.1(4) . .
C9 C4 C5 119.2(5) . .
C9 C4 C1 116.4(5) . .
C5 C4 C1 124.5(5) . .
C6 C5 C4 119.5(5) . .
C6 C5 C2 117.9(5) . .
C4 C5 C2 122.5(4) . .
C7 C6 C5 120.1(5) . .
C7 C6 C3 118.1(5) . .
C5 C6 C3 121.7(5) . .
C8 C7 C6 120.0(5) . .
C8 C7 H7A 120.0 . .
C6 C7 H7A 120.0 . .
C7 C8 C9 120.6(5) . .
C7 C8 H8A 119.7 . .
C9 C8 H8A 119.7 . .
C8 C9 C4 120.3(5) . .
C8 C9 H9A 119.9 . .
C4 C9 H9A 119.9 . .
O8 C10 O7 123.4(5) . .
O8 C10 C13 118.0(5) . .
O7 C10 C13 118.5(5) . .
O10 C11 O9 124.1(5) . .
O10 C11 C14 117.2(5) . .
O9 C11 C14 118.4(5) . .
O12 C12 O11 125.3(6) . .
O12 C12 C15 118.2(6) . .
O11 C12 C15 116.5(5) . .
C18 C13 C14 121.3(5) . .
C18 C13 C10 118.7(5) . .
C14 C13 C10 119.9(5) . .
C13 C14 C15 118.6(5) . .
C13 C14 C11 118.2(5) . .
C15 C14 C11 123.1(5) . .
C16 C15 C14 119.1(5) . .
C16 C15 C12 118.6(5) . .
C14 C15 C12 122.3(5) . .
C17 C16 C15 121.8(6) . .
C17 C16 H16A 119.1 . .
C15 C16 H16A 119.1 . .
C18 C17 C16 118.6(6) . .
C18 C17 H17A 120.7 . .
C16 C17 H17A 120.7 . .
C13 C18 C17 120.4(6) . .
C13 C18 H18A 119.8 . .
C17 C18 H18A 119.8 . .
O13 C19 O14 126.0(5) . .
O13 C19 C20 117.5(5) . .
O14 C19 C20 116.5(5) . .
C21 C20 C24 117.6(5) . .
C21 C20 C19 120.3(5) . .
C24 C20 C19 122.0(5) . .
C22 C21 C20 119.1(5) . .
C22 C21 H21A 120.5 . .
C20 C21 H21A 120.5 . .
N1 C22 C21 123.3(6) . .
N1 C22 H22A 118.4 . .
C21 C22 H22A 118.4 . .
N1 C23 C24 123.1(5) . .
N1 C23 H23A 118.5 . .
C24 C23 H23A 118.5 . .
C23 C24 C20 119.3(5) . .
C23 C24 H24A 120.4 . .
C20 C24 H24A 120.4 . .
H17B O17 H17C 105.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Nd1 O13 2.386(4) .
Nd1 O7 2.432(4) .
Nd1 O3 2.453(4) .
Nd1 O1 2.493(4) .
Nd1 O2 2.517(4) 2_665
Nd1 O9 2.519(4) .
Nd1 O15 2.522(4) .
Nd1 O16 2.567(5) .
Nd1 O1 2.836(4) 2_665
Nd2 O6 2.386(4) 2_755
Nd2 O14 2.409(4) .
Nd2 O5 2.420(4) .
Nd2 O10 2.423(4) 2_655
Nd2 O11 2.431(4) .
Nd2 O8 2.452(4) 1_655
Nd2 O3 2.498(4) .
Nd2 O9 2.510(4) .
Ag1 N1 2.207(5) .
Ag1 O4 2.268(4) 2_766
Ag1 O8 2.600(4) 2_666
O1 C1 1.276(7) .
O1 Nd1 2.836(4) 2_665
O2 C1 1.247(7) .
O2 Nd1 2.517(4) 2_665
O3 C2 1.296(7) .
O4 C2 1.232(7) .
O4 Ag1 2.268(4) 2_766
O5 C3 1.259(6) .
O6 C3 1.253(6) .
O6 Nd2 2.386(4) 2_755
O7 C10 1.265(7) .
O8 C10 1.253(7) .
O8 Nd2 2.452(4) 1_455
O8 Ag1 2.600(4) 2_666
O9 C11 1.276(7) .
O10 C11 1.242(7) .
O10 Nd2 2.423(4) 2_655
O11 C12 1.275(7) .
O12 C12 1.226(7) .
O13 C19 1.246(7) .
O14 C19 1.252(7) .
O15 H15B 0.8500 .
O15 H15C 0.8499 .
O16 H16C 0.8500 .
O16 H16B 0.8501 .
N1 C22 1.319(8) .
N1 C23 1.340(8) .
C1 C4 1.503(7) .
C1 Nd1 3.062(5) 2_665
C2 C5 1.508(7) .
C3 C6 1.501(7) .
C4 C9 1.398(8) .
C4 C5 1.403(7) .
C5 C6 1.403(7) .
C6 C7 1.384(8) .
C7 C8 1.381(8) .
C7 H7A 0.9300 .
C8 C9 1.383(8) .
C8 H8A 0.9300 .
C9 H9A 0.9300 .
C10 C13 1.500(8) .
C11 C14 1.504(7) .
C12 C15 1.509(8) .
C13 C18 1.381(8) .
C13 C14 1.396(7) .
C14 C15 1.403(7) .
C15 C16 1.391(8) .
C16 C17 1.392(9) .
C16 H16A 0.9300 .
C17 C18 1.382(9) .
C17 H17A 0.9300 .
C18 H18A 0.9300 .
C19 C20 1.507(8) .
C20 C21 1.383(8) .
C20 C24 1.387(8) .
C21 C22 1.382(8) .
C21 H21A 0.9300 .
C22 H22A 0.9300 .
C23 C24 1.369(8) .
C23 H23A 0.9300 .
C24 H24A 0.9300 .
O17 H17B 0.8500 .
O17 H17C 0.8501 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O15 H15B O11 0.85 1.95 2.799(6) 179.8 2_655
O15 H15C O5 0.85 2.46 3.254(6) 155.8 1_455
O16 H16C O17 0.85 1.82 2.666(7) 178.9 1_565
O16 H16B O4 0.85 2.55 3.204(6) 134.3 2_765
O17 H17C O12 0.85 1.83 2.669(8) 169.4 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O13 Nd1 O1 C1 128.9(5) . . . .
O7 Nd1 O1 C1 -65.7(6) . . . .
O3 Nd1 O1 C1 71.2(6) . . . .
O2 Nd1 O1 C1 -145.9(5) 2_665 . . .
O9 Nd1 O1 C1 27.1(6) . . . .
O15 Nd1 O1 C1 -34.4(6) . . . .
O16 Nd1 O1 C1 150.0(6) . . . .
O1 Nd1 O1 C1 -118.9(6) 2_665 . . .
O13 Nd1 O1 Nd1 -112.2(2) . . . 2_665
O7 Nd1 O1 Nd1 53.2(3) . . . 2_665
O3 Nd1 O1 Nd1 -169.93(19) . . . 2_665
O2 Nd1 O1 Nd1 -27.00(19) 2_665 . . 2_665
O9 Nd1 O1 Nd1 145.98(13) . . . 2_665
O15 Nd1 O1 Nd1 84.43(17) . . . 2_665
O16 Nd1 O1 Nd1 -91.12(17) . . . 2_665
O1 Nd1 O1 Nd1 0.0 2_665 . . 2_665
O13 Nd1 O3 C2 -134.9(4) . . . .
O7 Nd1 O3 C2 149.2(4) . . . .
O1 Nd1 O3 C2 10.9(4) . . . .
O2 Nd1 O3 C2 -81.1(5) 2_665 . . .
O9 Nd1 O3 C2 147.1(5) . . . .
O15 Nd1 O3 C2 81.5(4) . . . .
O16 Nd1 O3 C2 -59.6(4) . . . .
O1 Nd1 O3 C2 -2.6(5) 2_665 . . .
O13 Nd1 O3 Nd2 55.28(17) . . . .
O7 Nd1 O3 Nd2 -20.6(3) . . . .
O1 Nd1 O3 Nd2 -158.95(19) . . . .
O2 Nd1 O3 Nd2 109.1(2) 2_665 . . .
O9 Nd1 O3 Nd2 -22.69(14) . . . .
O15 Nd1 O3 Nd2 -88.27(17) . . . .
O16 Nd1 O3 Nd2 130.57(18) . . . .
O1 Nd1 O3 Nd2 -172.44(13) 2_665 . . .
O6 Nd2 O3 C2 30.9(5) 2_755 . . .
O14 Nd2 O3 C2 137.4(4) . . . .
O5 Nd2 O3 C2 -3.4(3) . . . .
O10 Nd2 O3 C2 -74.2(4) 2_655 . . .
O11 Nd2 O3 C2 -151.2(3) . . . .
O8 Nd2 O3 C2 69.1(4) 1_655 . . .
O9 Nd2 O3 C2 -148.3(4) . . . .
O6 Nd2 O3 Nd1 -158.0(2) 2_755 . . .
O14 Nd2 O3 Nd1 -51.48(16) . . . .
O5 Nd2 O3 Nd1 167.72(19) . . . .
O10 Nd2 O3 Nd1 96.98(17) 2_655 . . .
O11 Nd2 O3 Nd1 19.9(2) . . . .
O8 Nd2 O3 Nd1 -119.73(16) 1_655 . . .
O9 Nd2 O3 Nd1 22.88(14) . . . .
O6 Nd2 O5 C3 108.5(5) 2_755 . . .
O14 Nd2 O5 C3 -146.8(4) . . . .
O10 Nd2 O5 C3 12.9(5) 2_655 . . .
O11 Nd2 O5 C3 53.9(5) . . . .
O8 Nd2 O5 C3 -175.3(5) 1_655 . . .
O3 Nd2 O5 C3 -86.0(5) . . . .
O9 Nd2 O5 C3 -48.7(5) . . . .
O13 Nd1 O7 C10 -32.5(8) . . . .
O3 Nd1 O7 C10 43.7(9) . . . .
O1 Nd1 O7 C10 157.2(8) . . . .
O2 Nd1 O7 C10 -108.2(8) 2_665 . . .
O9 Nd1 O7 C10 45.7(8) . . . .
O15 Nd1 O7 C10 124.3(8) . . . .
O16 Nd1 O7 C10 -86.1(8) . . . .
O1 Nd1 O7 C10 -155.3(8) 2_665 . . .
O6 Nd2 O9 C11 1.8(5) 2_755 . . .
O14 Nd2 O9 C11 -87.2(4) . . . .
O5 Nd2 O9 C11 140.9(3) . . . .
O10 Nd2 O9 C11 81.4(4) 2_655 . . .
O11 Nd2 O9 C11 -1.2(3) . . . .
O8 Nd2 O9 C11 -126.5(4) 1_655 . . .
O3 Nd2 O9 C11 -178.9(4) . . . .
O6 Nd2 O9 Nd1 158.87(17) 2_755 . . .
O14 Nd2 O9 Nd1 69.89(16) . . . .
O5 Nd2 O9 Nd1 -62.04(19) . . . .
O10 Nd2 O9 Nd1 -121.52(17) 2_655 . . .
O11 Nd2 O9 Nd1 155.94(18) . . . .
O8 Nd2 O9 Nd1 30.6(2) 1_655 . . .
O3 Nd2 O9 Nd1 -21.79(13) . . . .
O13 Nd1 O9 C11 86.8(4) . . . .
O7 Nd1 O9 C11 -0.9(4) . . . .
O3 Nd1 O9 C11 177.5(4) . . . .
O1 Nd1 O9 C11 -134.9(4) . . . .
O2 Nd1 O9 C11 35.5(5) 2_665 . . .
O15 Nd1 O9 C11 -72.3(4) . . . .
O16 Nd1 O9 C11 144.1(4) . . . .
O1 Nd1 O9 C11 -44.9(5) 2_665 . . .
O13 Nd1 O9 Nd2 -68.60(16) . . . .
O7 Nd1 O9 Nd2 -156.35(18) . . . .
O3 Nd1 O9 Nd2 22.11(13) . . . .
O1 Nd1 O9 Nd2 69.66(17) . . . .
O2 Nd1 O9 Nd2 -119.96(18) 2_665 . . .
O15 Nd1 O9 Nd2 132.29(18) . . . .
O16 Nd1 O9 Nd2 -11.3(2) . . . .
O1 Nd1 O9 Nd2 159.65(16) 2_665 . . .
O6 Nd2 O11 C12 91.2(4) 2_755 . . .
O14 Nd2 O11 C12 -15.3(4) . . . .
O5 Nd2 O11 C12 149.8(4) . . . .
O10 Nd2 O11 C12 -170.6(5) 2_655 . . .
O8 Nd2 O11 C12 36.6(5) 1_655 . . .
O3 Nd2 O11 C12 -87.8(5) . . . .
O9 Nd2 O11 C12 -90.6(4) . . . .
O7 Nd1 O13 C19 101.9(7) . . . .
O3 Nd1 O13 C19 -34.7(6) . . . .
O1 Nd1 O13 C19 -88.1(7) . . . .
O2 Nd1 O13 C19 174.3(7) 2_665 . . .
O9 Nd1 O13 C19 28.9(6) . . . .
O15 Nd1 O13 C19 64.1(7) . . . .
O16 Nd1 O13 C19 -108.1(7) . . . .
O1 Nd1 O13 C19 -177.9(6) 2_665 . . .
O6 Nd2 O14 C19 175.3(6) 2_755 . . .
O5 Nd2 O14 C19 77.3(7) . . . .
O10 Nd2 O14 C19 -63.7(7) 2_655 . . .
O11 Nd2 O14 C19 -115.1(6) . . . .
O8 Nd2 O14 C19 106.5(7) 1_655 . . .
O3 Nd2 O14 C19 21.1(6) . . . .
O9 Nd2 O14 C19 -42.1(6) . . . .
O4 Ag1 N1 C22 -115.6(15) 2_766 . . .
O8 Ag1 N1 C22 133.7(5) 2_666 . . .
O4 Ag1 N1 C23 65.5(18) 2_766 . . .
O8 Ag1 N1 C23 -45.2(5) 2_666 . . .
Nd1 O2 C1 O1 6.7(7) 2_665 . . .
Nd1 O2 C1 C4 -173.4(4) 2_665 . . .
Nd1 O1 C1 O2 120.7(6) . . . .
Nd1 O1 C1 O2 -5.8(6) 2_665 . . .
Nd1 O1 C1 C4 -59.2(8) . . . .
Nd1 O1 C1 C4 174.3(5) 2_665 . . .
Nd1 O1 C1 Nd1 126.4(5) . . . 2_665
Ag1 O4 C2 O3 0.7(6) 2_766 . . .
Ag1 O4 C2 C5 -178.1(3) 2_766 . . .
Nd1 O3 C2 O4 99.0(5) . . . .
Nd2 O3 C2 O4 -91.3(5) . . . .
Nd1 O3 C2 C5 -82.1(5) . . . .
Nd2 O3 C2 C5 87.5(4) . . . .
Nd2 O6 C3 O5 -0.1(9) 2_755 . . .
Nd2 O6 C3 C6 -179.2(4) 2_755 . . .
Nd2 O5 C3 O6 -105.5(6) . . . .
Nd2 O5 C3 C6 73.6(7) . . . .
O2 C1 C4 C9 -8.6(8) . . . .
O1 C1 C4 C9 171.3(6) . . . .
Nd1 C1 C4 C9 -40(2) 2_665 . . .
O2 C1 C4 C5 170.3(6) . . . .
O1 C1 C4 C5 -9.8(9) . . . .
Nd1 C1 C4 C5 139(2) 2_665 . . .
C9 C4 C5 C6 -5.4(9) . . . .
C1 C4 C5 C6 175.8(5) . . . .
C9 C4 C5 C2 169.8(6) . . . .
C1 C4 C5 C2 -9.1(9) . . . .
O4 C2 C5 C6 78.2(7) . . . .
O3 C2 C5 C6 -100.7(6) . . . .
O4 C2 C5 C4 -97.0(6) . . . .
O3 C2 C5 C4 84.1(7) . . . .
C4 C5 C6 C7 7.3(9) . . . .
C2 C5 C6 C7 -168.0(6) . . . .
C4 C5 C6 C3 -171.5(5) . . . .
C2 C5 C6 C3 13.1(8) . . . .
O6 C3 C6 C7 3.1(8) . . . .
O5 C3 C6 C7 -176.1(5) . . . .
O6 C3 C6 C5 -178.1(6) . . . .
O5 C3 C6 C5 2.8(9) . . . .
C5 C6 C7 C8 -4.1(10) . . . .
C3 C6 C7 C8 174.8(6) . . . .
C6 C7 C8 C9 -1.1(10) . . . .
C7 C8 C9 C4 3.1(10) . . . .
C5 C4 C9 C8 0.2(9) . . . .
C1 C4 C9 C8 179.2(6) . . . .
Nd2 O8 C10 O7 94.0(7) 1_455 . . .
Ag1 O8 C10 O7 -33.2(6) 2_666 . . .
Nd2 O8 C10 C13 -90.2(6) 1_455 . . .
Ag1 O8 C10 C13 142.6(4) 2_666 . . .
Nd1 O7 C10 O8 173.4(5) . . . .
Nd1 O7 C10 C13 -2.5(11) . . . .
Nd2 O10 C11 O9 21.2(13) 2_655 . . .
Nd2 O10 C11 C14 -164.6(7) 2_655 . . .
Nd2 O9 C11 O10 -105.3(5) . . . .
Nd1 O9 C11 O10 100.8(5) . . . .
Nd2 O9 C11 C14 80.6(5) . . . .
Nd1 O9 C11 C14 -73.3(5) . . . .
Nd2 O11 C12 O12 -104.5(8) . . . .
Nd2 O11 C12 C15 76.5(6) . . . .
O8 C10 C13 C18 -44.2(8) . . . .
O7 C10 C13 C18 131.8(6) . . . .
O8 C10 C13 C14 137.9(6) . . . .
O7 C10 C13 C14 -46.1(8) . . . .
C18 C13 C14 C15 -1.0(9) . . . .
C10 C13 C14 C15 176.8(5) . . . .
C18 C13 C14 C11 176.1(6) . . . .
C10 C13 C14 C11 -6.0(8) . . . .
O10 C11 C14 C13 -77.5(7) . . . .
O9 C11 C14 C13 97.0(6) . . . .
O10 C11 C14 C15 99.5(6) . . . .
O9 C11 C14 C15 -86.0(7) . . . .
C13 C14 C15 C16 -2.4(9) . . . .
C11 C14 C15 C16 -179.4(6) . . . .
C13 C14 C15 C12 175.9(6) . . . .
C11 C14 C15 C12 -1.1(9) . . . .
O12 C12 C15 C16 7.7(10) . . . .
O11 C12 C15 C16 -173.2(6) . . . .
O12 C12 C15 C14 -170.7(7) . . . .
O11 C12 C15 C14 8.4(9) . . . .
C14 C15 C16 C17 3.1(10) . . . .
C12 C15 C16 C17 -175.3(6) . . . .
C15 C16 C17 C18 -0.3(11) . . . .
C14 C13 C18 C17 3.9(10) . . . .
C10 C13 C18 C17 -174.0(6) . . . .
C16 C17 C18 C13 -3.2(11) . . . .
Nd1 O13 C19 O14 3.8(11) . . . .
Nd1 O13 C19 C20 -176.3(4) . . . .
Nd2 O14 C19 O13 5.5(11) . . . .
Nd2 O14 C19 C20 -174.4(4) . . . .
O13 C19 C20 C21 -161.0(6) . . . .
O14 C19 C20 C21 18.8(9) . . . .
O13 C19 C20 C24 17.0(9) . . . .
O14 C19 C20 C24 -163.2(6) . . . .
C24 C20 C21 C22 -3.0(10) . . . .
C19 C20 C21 C22 175.1(6) . . . .
C23 N1 C22 C21 -0.6(11) . . . .
Ag1 N1 C22 C21 -179.6(5) . . . .
C20 C21 C22 N1 3.5(11) . . . .
C22 N1 C23 C24 -2.6(10) . . . .
Ag1 N1 C23 C24 176.3(5) . . . .
N1 C23 C24 C20 3.0(11) . . . .
C21 C20 C24 C23 -0.1(10) . . . .
C19 C20 C24 C23 -178.1(6) . . . .
