#------------------------------------------------------------------------------
#$Date: 2021-05-26 10:25:05 +0300 (Wed, 26 May 2021) $
#$Revision: 265501 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/28/1562859.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_1562859
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 La2 N O16, H2 O'
_chemical_formula_sum            'C24 H16 Ag La2 N O17'
_chemical_formula_weight         976.07
_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
_cell_angle_alpha                104.455(4)
_cell_angle_beta                 97.817(3)
_cell_angle_gamma                98.652(3)
_cell_formula_units_Z            2
_cell_length_a                   8.6854(3)
_cell_length_b                   11.9378(5)
_cell_length_c                   13.6375(6)
_cell_measurement_reflns_used    3923
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.2243
_cell_measurement_theta_min      2.4071
_cell_volume                     1331.22(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  0.0237
_diffrn_reflns_av_sigmaI/netI    0.0468
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9114
_diffrn_reflns_theta_full        26.75
_diffrn_reflns_theta_max         26.75
_diffrn_reflns_theta_min         2.41
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_exptl_absorpt_coefficient_mu    3.969
_exptl_absorpt_correction_T_max  0.6264
_exptl_absorpt_correction_T_min  0.5041
_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            colorless
_exptl_crystal_density_diffrn    2.435
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block-shaped
_exptl_crystal_F_000             928
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.637
_refine_diff_density_min         -0.810
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         5604
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0376
_refine_ls_R_factor_gt           0.0293
_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)+(0.0260P)²+3.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0658
_refine_ls_wR_factor_ref         0.0705
_reflns_number_gt                4859
_reflns_number_total             5604
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2012-196-182.cif
_cod_data_source_block           La-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        1331.22(9)
_cod_database_code               1562859
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
La1 La 0.95586(3) 0.11995(2) 0.401254(19) 0.01107(7) Uani 1 1 d . . .
La2 La 0.68320(3) 0.38512(2) 0.388603(19) 0.00964(7) Uani 1 1 d . . .
Ag1 Ag 0.55199(5) -0.04740(4) -0.31659(3) 0.02765(11) Uani 1 1 d . . .
O1 O 0.8794(4) 0.0563(3) 0.5554(2) 0.0174(7) Uani 1 1 d . . .
O2 O 0.9578(4) 0.0557(3) 0.7150(3) 0.0252(8) Uani 1 1 d . . .
O3 O 0.7233(4) 0.2054(3) 0.4534(2) 0.0145(7) Uani 1 1 d . . .
O4 O 0.5062(4) 0.1117(3) 0.4907(2) 0.0173(7) Uani 1 1 d . . .
O5 O 0.5139(4) 0.3628(3) 0.5173(2) 0.0175(7) Uani 1 1 d . . .
O6 O 0.4730(4) 0.4776(3) 0.6622(3) 0.0246(8) Uani 1 1 d . . .
O7 O 1.2015(4) 0.1952(3) 0.3465(3) 0.0227(8) Uani 1 1 d . . .
O8 O 1.4236(4) 0.2565(3) 0.2960(3) 0.0204(7) Uani 1 1 d . . .
O9 O 0.9609(4) 0.3370(3) 0.4041(2) 0.0136(7) Uani 1 1 d . . .
O10 O 1.1795(4) 0.4753(3) 0.4445(2) 0.0198(7) Uani 1 1 d . . .
O11 O 0.8639(4) 0.5277(3) 0.3310(3) 0.0215(8) Uani 1 1 d . . .
O12 O 0.8378(6) 0.5705(4) 0.1807(3) 0.0519(13) Uani 1 1 d . . .
O13 O 0.8307(5) 0.1098(3) 0.2265(3) 0.0292(9) Uani 1 1 d . . .
O14 O 0.7027(4) 0.2560(3) 0.2202(3) 0.0243(8) Uani 1 1 d . . .
O15 O 1.1678(5) 0.2485(3) 0.5553(3) 0.0334(10) Uani 1 1 d . . .
H15A H 1.2541 0.2581 0.5329 0.050 Uiso 1 1 d R . .
H15B H 1.1580 0.3162 0.5898 0.050 Uiso 1 1 d R . .
O16 O 0.7111(4) -0.0548(3) 0.3537(3) 0.0282(9) Uani 1 1 d . . .
H16B H 0.7052 -0.0860 0.4030 0.042 Uiso 1 1 d R . .
H16C H 0.7179 -0.1073 0.3002 0.042 Uiso 1 1 d R . .
C1 C 0.8838(5) 0.0966(4) 0.6520(4) 0.0145(10) Uani 1 1 d . . .
C2 C 0.6353(5) 0.1797(4) 0.5167(4) 0.0132(9) Uani 1 1 d . . .
C3 C 0.5309(5) 0.3958(4) 0.6138(4) 0.0121(9) Uani 1 1 d . . .
C4 C 0.7969(5) 0.1937(4) 0.6925(4) 0.0131(9) Uani 1 1 d . . .
C5 C 0.6922(5) 0.2376(4) 0.6301(3) 0.0125(9) Uani 1 1 d . . .
C6 C 0.6272(5) 0.3338(4) 0.6769(3) 0.0131(9) Uani 1 1 d . . .
C7 C 0.6544(6) 0.3773(4) 0.7829(4) 0.0198(11) Uani 1 1 d . . .
H7A H 0.6073 0.4389 0.8132 0.024 Uiso 1 1 calc R . .
C8 C 0.7509(6) 0.3301(4) 0.8440(4) 0.0222(11) Uani 1 1 d . . .
H8A H 0.7660 0.3581 0.9153 0.027 Uiso 1 1 calc R . .
C9 C 0.8248(6) 0.2413(4) 0.7990(4) 0.0191(10) Uani 1 1 d . . .
H9A H 0.8943 0.2127 0.8404 0.023 Uiso 1 1 calc R . .
C10 C 1.2793(5) 0.2528(4) 0.2975(4) 0.0152(10) Uani 1 1 d . . .
C11 C 1.0736(5) 0.4026(4) 0.3815(3) 0.0102(9) Uani 1 1 d . . .
C12 C 0.8920(6) 0.5171(5) 0.2398(4) 0.0239(12) Uani 1 1 d . . .
C13 C 1.1911(6) 0.3144(4) 0.2310(4) 0.0163(10) Uani 1 1 d . . .
C14 C 1.0839(5) 0.3825(4) 0.2689(3) 0.0133(9) Uani 1 1 d . . .
C15 C 1.0000(5) 0.4351(4) 0.2032(4) 0.0161(10) Uani 1 1 d . . .
C16 C 1.0190(6) 0.4130(5) 0.1010(4) 0.0258(12) Uani 1 1 d . . .
H16A H 0.9587 0.4440 0.0565 0.031 Uiso 1 1 calc R . .
C17 C 1.1252(7) 0.3462(5) 0.0648(4) 0.0307(13) Uani 1 1 d . . .
H17A H 1.1374 0.3333 -0.0036 0.037 Uiso 1 1 calc R . .
C18 C 1.2147(7) 0.2977(5) 0.1297(4) 0.0258(12) Uani 1 1 d . . .
H18A H 1.2894 0.2545 0.1059 0.031 Uiso 1 1 calc R . .
C19 C 0.7532(6) 0.1669(4) 0.1794(4) 0.0180(10) Uani 1 1 d . . .
C20 C 0.7130(6) 0.1202(4) 0.0637(4) 0.0160(10) Uani 1 1 d . . .
C21 C 0.7944(6) 0.0433(5) 0.0091(4) 0.0231(11) Uani 1 1 d . . .
H21A H 0.8781 0.0188 0.0428 0.028 Uiso 1 1 calc R . .
C22 C 0.7496(6) 0.0034(5) -0.0958(4) 0.0243(11) Uani 1 1 d . . .
H22A H 0.8094 -0.0448 -0.1322 0.029 Uiso 1 1 calc R . .
N1 N 0.6268(5) 0.0290(4) -0.1488(3) 0.0225(9) Uani 1 1 d . . .
C23 C 0.5464(6) 0.1034(5) -0.0961(4) 0.0249(12) Uani 1 1 d . . .
H23A H 0.4592 0.1225 -0.1314 0.030 Uiso 1 1 calc R . .
C24 C 0.5894(6) 0.1529(4) 0.0098(4) 0.0225(11) Uani 1 1 d . . .
H24A H 0.5353 0.2076 0.0439 0.027 Uiso 1 1 calc R . .
O17 O 0.7300(7) -0.2276(5) 0.1906(4) 0.0736(17) Uani 1 1 d . . .
H17B H 0.7917 -0.1941 0.1587 0.110 Uiso 1 1 d R . .
H17C H 0.7558 -0.2945 0.1852 0.110 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'
La La -0.2871 2.4523 '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 La1 O7 84.00(13) . .
O13 La1 O3 84.53(12) . .
O7 La1 O3 134.77(10) . .
O13 La1 O1 138.05(12) . .
O7 La1 O1 137.42(11) . .
O3 La1 O1 70.04(10) . .
O13 La1 O2 75.26(11) . 2_756
O7 La1 O2 71.93(12) . 2_756
O3 La1 O2 144.84(11) . 2_756
O1 La1 O2 107.06(10) . 2_756
O13 La1 O9 75.90(11) . .
O7 La1 O9 71.46(10) . .
O3 La1 O9 63.31(10) . .
O1 La1 O9 117.43(10) . .
O2 La1 O9 135.09(10) 2_756 .
O13 La1 O15 142.79(12) . .
O7 La1 O15 67.98(13) . .
O3 La1 O15 97.85(12) . .
O1 La1 O15 75.44(11) . .
O2 La1 O15 115.68(12) 2_756 .
O9 La1 O15 72.33(10) . .
O13 La1 O16 74.83(12) . .
O7 La1 O16 143.77(12) . .
O3 La1 O16 72.67(11) . .
O1 La1 O16 66.14(11) . .
O2 La1 O16 74.40(12) 2_756 .
O9 La1 O16 128.64(11) . .
O15 La1 O16 141.44(12) . .
O13 La1 O1 122.16(11) . 2_756
O7 La1 O1 84.70(10) . 2_756
O3 La1 O1 137.06(9) . 2_756
O1 La1 O1 68.05(11) . 2_756
O2 La1 O1 47.38(10) 2_756 2_756
O9 La1 O1 148.88(10) . 2_756
O15 La1 O1 80.45(11) . 2_756
O16 La1 O1 82.29(10) . 2_756
O6 La2 O14 102.00(12) 2_666 .
O6 La2 O5 89.33(11) 2_666 .
O14 La2 O5 133.14(11) . .
O6 La2 O10 94.99(12) 2_666 2_766
O14 La2 O10 148.28(11) . 2_766
O5 La2 O10 72.91(11) . 2_766
O6 La2 O11 72.94(12) 2_666 .
O14 La2 O11 81.12(12) . .
O5 La2 O11 144.82(11) . .
O10 La2 O11 78.54(11) 2_766 .
O6 La2 O8 76.13(12) 2_666 1_455
O14 La2 O8 67.54(11) . 1_455
O5 La2 O8 71.61(11) . 1_455
O10 La2 O8 143.44(11) 2_766 1_455
O11 La2 O8 129.55(11) . 1_455
O6 La2 O9 142.95(11) 2_666 .
O14 La2 O9 72.63(11) . .
O5 La2 O9 121.67(10) . .
O10 La2 O9 77.64(11) 2_766 .
O11 La2 O9 70.01(10) . .
O8 La2 O9 129.72(10) 1_455 .
O6 La2 O3 154.31(11) 2_666 .
O14 La2 O3 83.93(11) . .
O5 La2 O3 69.35(10) . .
O10 La2 O3 92.26(10) 2_766 .
O11 La2 O3 132.73(11) . .
O8 La2 O3 83.40(11) 1_455 .
O9 La2 O3 62.73(9) . .
N1 Ag1 O4 174.31(13) . 2_655
N1 Ag1 O8 90.12(13) . 2_755
O4 Ag1 O8 93.50(11) 2_655 2_755
C1 O1 La1 141.3(3) . .
C1 O1 La1 88.6(3) . 2_756
La1 O1 La1 111.95(11) . 2_756
C1 O2 La1 102.9(3) . 2_756
C2 O3 La1 128.6(3) . .
C2 O3 La2 117.0(3) . .
La1 O3 La2 113.87(11) . .
C2 O4 Ag1 108.9(3) . 2_655
C3 O5 La2 135.6(3) . .
C3 O6 La2 134.0(3) . 2_666
C10 O7 La1 153.5(3) . .
C10 O8 La2 138.7(3) . 1_655
C11 O9 La2 120.0(3) . .
C11 O9 La1 124.4(3) . .
La2 O9 La1 111.89(11) . .
C11 O10 La2 158.7(3) . 2_766
C12 O11 La2 126.9(3) . .
C19 O13 La1 140.1(3) . .
C19 O14 La2 142.9(3) . .
La1 O15 H15A 106.7 . .
La1 O15 H15B 122.3 . .
H15A O15 H15B 106.7 . .
La1 O16 H16B 110.8 . .
La1 O16 H16C 110.7 . .
H16B O16 H16C 108.9 . .
O2 C1 O1 120.9(4) . .
O2 C1 C4 118.3(4) . .
O1 C1 C4 120.9(4) . .
O2 C1 La1 54.1(2) . 2_756
O1 C1 La1 67.0(2) . 2_756
C4 C1 La1 170.2(3) . 2_756
O4 C2 O3 124.4(4) . .
O4 C2 C5 117.4(4) . .
O3 C2 C5 118.2(4) . .
O6 C3 O5 124.1(4) . .
O6 C3 C6 116.9(4) . .
O5 C3 C6 119.0(4) . .
C9 C4 C5 119.4(4) . .
C9 C4 C1 116.3(4) . .
C5 C4 C1 124.3(4) . .
C6 C5 C4 118.6(4) . .
C6 C5 C2 118.1(4) . .
C4 C5 C2 123.0(4) . .
C7 C6 C5 120.4(4) . .
C7 C6 C3 118.0(4) . .
C5 C6 C3 121.6(4) . .
C8 C7 C6 120.6(5) . .
C8 C7 H7A 119.7 . .
C6 C7 H7A 119.7 . .
C9 C8 C7 119.8(5) . .
C9 C8 H8A 120.1 . .
C7 C8 H8A 120.1 . .
C8 C9 C4 121.0(4) . .
C8 C9 H9A 119.5 . .
C4 C9 H9A 119.5 . .
O8 C10 O7 124.1(4) . .
O8 C10 C13 117.8(4) . .
O7 C10 C13 118.0(4) . .
O10 C11 O9 125.0(4) . .
O10 C11 C14 117.6(4) . .
O9 C11 C14 117.3(4) . .
O12 C12 O11 124.5(5) . .
O12 C12 C15 118.0(5) . .
O11 C12 C15 117.4(4) . .
C18 C13 C14 121.1(5) . .
C18 C13 C10 118.2(5) . .
C14 C13 C10 120.6(4) . .
C13 C14 C15 118.7(4) . .
C13 C14 C11 117.6(4) . .
C15 C14 C11 123.5(4) . .
C16 C15 C14 119.5(5) . .
C16 C15 C12 118.2(4) . .
C14 C15 C12 122.3(4) . .
C17 C16 C15 121.1(5) . .
C17 C16 H16A 119.5 . .
C15 C16 H16A 119.5 . .
C16 C17 C18 120.3(5) . .
C16 C17 H17A 119.8 . .
C18 C17 H17A 119.8 . .
C17 C18 C13 119.1(5) . .
C17 C18 H18A 120.5 . .
C13 C18 H18A 120.5 . .
O14 C19 O13 125.5(5) . .
O14 C19 C20 117.7(4) . .
O13 C19 C20 116.8(4) . .
C21 C20 C24 118.1(4) . .
C21 C20 C19 122.1(4) . .
C24 C20 C19 119.8(4) . .
C22 C21 C20 118.7(5) . .
C22 C21 H21A 120.7 . .
C20 C21 H21A 120.7 . .
N1 C22 C21 124.3(5) . .
N1 C22 H22A 117.8 . .
C21 C22 H22A 117.8 . .
C22 N1 C23 117.2(4) . .
C22 N1 Ag1 122.4(3) . .
C23 N1 Ag1 120.4(3) . .
N1 C23 C24 122.1(5) . .
N1 C23 H23A 119.0 . .
C24 C23 H23A 119.0 . .
C20 C24 C23 119.4(5) . .
C20 C24 H24A 120.3 . .
C23 C24 H24A 120.3 . .
H17B O17 H17C 104.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O13 2.447(3) .
La1 O7 2.471(3) .
La1 O3 2.505(3) .
La1 O1 2.542(3) .
La1 O2 2.570(3) 2_756
La1 O9 2.576(3) .
La1 O15 2.578(4) .
La1 O16 2.628(3) .
La1 O1 2.849(3) 2_756
La2 O6 2.447(3) 2_666
La2 O14 2.469(3) .
La2 O5 2.476(3) .
La2 O10 2.480(3) 2_766
La2 O11 2.485(3) .
La2 O8 2.500(3) 1_455
La2 O9 2.556(3) .
La2 O3 2.568(3) .
Ag1 N1 2.205(4) .
Ag1 O4 2.265(3) 2_655
Ag1 O8 2.617(3) 2_755
O1 C1 1.278(6) .
O1 La1 2.849(3) 2_756
O2 C1 1.242(5) .
O2 La1 2.570(3) 2_756
O3 C2 1.290(5) .
O4 C2 1.231(5) .
O4 Ag1 2.265(3) 2_655
O5 C3 1.257(5) .
O6 C3 1.248(5) .
O6 La2 2.447(3) 2_666
O7 C10 1.260(5) .
O8 C10 1.251(5) .
O8 La2 2.500(3) 1_655
O9 C11 1.280(5) .
O10 C11 1.228(5) .
O10 La2 2.480(3) 2_766
O11 C12 1.279(6) .
O12 C12 1.233(6) .
O13 C19 1.252(6) .
O14 C19 1.243(6) .
O15 H15A 0.8500 .
O15 H15B 0.8500 .
O16 H16B 0.8499 .
O16 H16C 0.8501 .
C1 C4 1.509(6) .
C1 La1 3.094(5) 2_756
C2 C5 1.506(6) .
C3 C6 1.515(6) .
C4 C9 1.395(6) .
C4 C5 1.407(6) .
C5 C6 1.405(6) .
C6 C7 1.382(6) .
C7 C8 1.379(7) .
C7 H7A 0.9300 .
C8 C9 1.378(7) .
C8 H8A 0.9300 .
C9 H9A 0.9300 .
C10 C13 1.505(6) .
C11 C14 1.511(6) .
C12 C15 1.499(7) .
C13 C18 1.394(7) .
C13 C14 1.394(7) .
C14 C15 1.403(6) .
C15 C16 1.390(7) .
C16 C17 1.371(8) .
C16 H16A 0.9300 .
C17 C18 1.388(7) .
C17 H17A 0.9300 .
C18 H18A 0.9300 .
C19 C20 1.508(6) .
C20 C21 1.376(7) .
C20 C24 1.378(7) .
C21 C22 1.371(7) .
C21 H21A 0.9300 .
C22 N1 1.324(7) .
C22 H22A 0.9300 .
N1 C23 1.341(7) .
C23 C24 1.390(7) .
C23 H23A 0.9300 .
C24 H24A 0.9300 .
O17 H17B 0.8499 .
O17 H17C 0.8500 .
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 H15A O5 0.85 2.47 3.273(5) 157.1 1_655
O15 H15B O11 0.85 1.96 2.808(5) 179.8 2_766
O16 H16B O4 0.85 2.52 3.155(5) 132.4 2_656
O16 H16C O17 0.85 1.82 2.672(6) 176.0 .
O17 H17C O12 0.85 1.85 2.694(6) 172.7 1_545
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 La1 O1 C1 -128.4(5) . . . .
O7 La1 O1 C1 63.3(5) . . . .
O3 La1 O1 C1 -72.1(5) . . . .
O2 La1 O1 C1 144.9(5) 2_756 . . .
O9 La1 O1 C1 -28.8(5) . . . .
O15 La1 O1 C1 32.0(5) . . . .
O16 La1 O1 C1 -151.4(5) . . . .
O1 La1 O1 C1 117.4(5) 2_756 . . .
O13 La1 O1 La1 114.22(17) . . . 2_756
O7 La1 O1 La1 -54.2(2) . . . 2_756
O3 La1 O1 La1 170.45(15) . . . 2_756
O2 La1 O1 La1 27.46(15) 2_756 . . 2_756
O9 La1 O1 La1 -146.18(11) . . . 2_756
O15 La1 O1 La1 -85.40(14) . . . 2_756
O16 La1 O1 La1 91.15(14) . . . 2_756
O1 La1 O1 La1 0.0 2_756 . . 2_756
O13 La1 O3 C2 134.4(4) . . . .
O7 La1 O3 C2 -149.7(3) . . . .
O1 La1 O3 C2 -11.7(3) . . . .
O2 La1 O3 C2 79.8(4) 2_756 . . .
O9 La1 O3 C2 -148.7(4) . . . .
O15 La1 O3 C2 -83.0(4) . . . .
O16 La1 O3 C2 58.6(4) . . . .
O1 La1 O3 C2 1.4(4) 2_756 . . .
O13 La1 O3 La2 -54.34(14) . . . .
O7 La1 O3 La2 21.6(2) . . . .
O1 La1 O3 La2 159.60(16) . . . .
O2 La1 O3 La2 -108.90(17) 2_756 . . .
O9 La1 O3 La2 22.62(11) . . . .
O15 La1 O3 La2 88.26(14) . . . .
O16 La1 O3 La2 -130.13(15) . . . .
O1 La1 O3 La2 172.66(10) 2_756 . . .
O6 La2 O3 C2 -31.9(4) 2_666 . . .
O14 La2 O3 C2 -137.0(3) . . . .
O5 La2 O3 C2 3.8(3) . . . .
O10 La2 O3 C2 74.6(3) 2_766 . . .
O11 La2 O3 C2 151.0(3) . . . .
O8 La2 O3 C2 -69.0(3) 1_455 . . .
O9 La2 O3 C2 149.4(3) . . . .
O6 La2 O3 La1 155.8(2) 2_666 . . .
O14 La2 O3 La1 50.64(13) . . . .
O5 La2 O3 La1 -168.56(16) . . . .
O10 La2 O3 La1 -97.78(13) 2_766 . . .
O11 La2 O3 La1 -21.3(2) . . . .
O8 La2 O3 La1 118.64(14) 1_455 . . .
O9 La2 O3 La1 -22.93(11) . . . .
O6 La2 O5 C3 -107.9(4) 2_666 . . .
O14 La2 O5 C3 146.2(4) . . . .
O10 La2 O5 C3 -12.5(4) 2_766 . . .
O11 La2 O5 C3 -49.6(5) . . . .
O8 La2 O5 C3 176.5(4) 1_455 . . .
O9 La2 O5 C3 50.6(4) . . . .
O3 La2 O5 C3 86.7(4) . . . .
O13 La1 O7 C10 35.0(7) . . . .
O3 La1 O7 C10 -41.1(8) . . . .
O1 La1 O7 C10 -152.8(7) . . . .
O2 La1 O7 C10 111.4(7) 2_756 . . .
O9 La1 O7 C10 -42.1(7) . . . .
O15 La1 O7 C10 -120.0(7) . . . .
O16 La1 O7 C10 89.0(7) . . . .
O1 La1 O7 C10 158.2(7) 2_756 . . .
O6 La2 O9 C11 2.1(4) 2_666 . . .
O14 La2 O9 C11 89.0(3) . . . .
O5 La2 O9 C11 -140.5(3) . . . .
O10 La2 O9 C11 -79.8(3) 2_766 . . .
O11 La2 O9 C11 2.4(3) . . . .
O8 La2 O9 C11 127.7(3) 1_455 . . .
O3 La2 O9 C11 -178.9(3) . . . .
O6 La2 O9 La1 -157.15(14) 2_666 . . .
O14 La2 O9 La1 -70.17(13) . . . .
O5 La2 O9 La1 60.28(16) . . . .
O10 La2 O9 La1 121.04(13) 2_766 . . .
O11 La2 O9 La1 -156.82(15) . . . .
O8 La2 O9 La1 -31.46(18) 1_455 . . .
O3 La2 O9 La1 21.92(10) . . . .
O13 La1 O9 C11 -89.6(3) . . . .
O7 La1 O9 C11 -1.3(3) . . . .
O3 La1 O9 C11 179.5(4) . . . .
O1 La1 O9 C11 133.2(3) . . . .
O2 La1 O9 C11 -38.1(4) 2_756 . . .
O15 La1 O9 C11 70.8(3) . . . .
O16 La1 O9 C11 -146.5(3) . . . .
O1 La1 O9 C11 40.7(4) 2_756 . . .
O13 La1 O9 La2 68.54(14) . . . .
O7 La1 O9 La2 156.85(15) . . . .
O3 La1 O9 La2 -22.39(11) . . . .
O1 La1 O9 La2 -68.65(15) . . . .
O2 La1 O9 La2 119.98(14) 2_756 . . .
O15 La1 O9 La2 -131.09(15) . . . .
O16 La1 O9 La2 11.65(19) . . . .
O1 La1 O9 La2 -161.22(13) 2_756 . . .
O6 La2 O11 C12 -90.8(4) 2_666 . . .
O14 La2 O11 C12 14.7(4) . . . .
O5 La2 O11 C12 -153.6(4) . . . .
O10 La2 O11 C12 170.3(4) 2_766 . . .
O8 La2 O11 C12 -36.2(4) 1_455 . . .
O9 La2 O11 C12 89.4(4) . . . .
O3 La2 O11 C12 87.9(4) . . . .
O7 La1 O13 C19 -99.7(5) . . . .
O3 La1 O13 C19 36.5(5) . . . .
O1 La1 O13 C19 88.2(5) . . . .
O2 La1 O13 C19 -172.6(6) 2_756 . . .
O9 La1 O13 C19 -27.4(5) . . . .
O15 La1 O13 C19 -59.3(6) . . . .
O16 La1 O13 C19 110.0(5) . . . .
O1 La1 O13 C19 -179.6(5) 2_756 . . .
O6 La2 O14 C19 -176.2(5) 2_666 . . .
O5 La2 O14 C19 -75.7(6) . . . .
O10 La2 O14 C19 62.9(6) 2_766 . . .
O11 La2 O14 C19 113.5(5) . . . .
O8 La2 O14 C19 -106.9(5) 1_455 . . .
O9 La2 O14 C19 41.8(5) . . . .
O3 La2 O14 C19 -21.5(5) . . . .
La1 O2 C1 O1 -6.3(5) 2_756 . . .
La1 O2 C1 C4 172.7(3) 2_756 . . .
La1 O1 C1 O2 -119.0(5) . . . .
La1 O1 C1 O2 5.5(4) 2_756 . . .
La1 O1 C1 C4 62.0(6) . . . .
La1 O1 C1 C4 -173.5(4) 2_756 . . .
La1 O1 C1 La1 -124.6(4) . . . 2_756
Ag1 O4 C2 O3 -2.3(5) 2_655 . . .
Ag1 O4 C2 C5 176.9(3) 2_655 . . .
La1 O3 C2 O4 -97.7(5) . . . .
La2 O3 C2 O4 91.2(4) . . . .
La1 O3 C2 C5 83.1(4) . . . .
La2 O3 C2 C5 -88.0(4) . . . .
La2 O6 C3 O5 -2.2(7) 2_666 . . .
La2 O6 C3 C6 177.8(3) 2_666 . . .
La2 O5 C3 O6 105.1(5) . . . .
La2 O5 C3 C6 -74.9(5) . . . .
O2 C1 C4 C9 8.6(6) . . . .
O1 C1 C4 C9 -172.4(4) . . . .
La1 C1 C4 C9 45(2) 2_756 . . .
O2 C1 C4 C5 -171.4(4) . . . .
O1 C1 C4 C5 7.6(7) . . . .
La1 C1 C4 C5 -134.5(17) 2_756 . . .
C9 C4 C5 C6 4.3(6) . . . .
C1 C4 C5 C6 -175.7(4) . . . .
C9 C4 C5 C2 -170.1(4) . . . .
C1 C4 C5 C2 9.8(7) . . . .
O4 C2 C5 C6 -78.3(5) . . . .
O3 C2 C5 C6 100.9(5) . . . .
O4 C2 C5 C4 96.2(5) . . . .
O3 C2 C5 C4 -84.6(5) . . . .
C4 C5 C6 C7 -5.8(7) . . . .
C2 C5 C6 C7 168.9(4) . . . .
C4 C5 C6 C3 171.9(4) . . . .
C2 C5 C6 C3 -13.3(6) . . . .
O6 C3 C6 C7 -4.9(6) . . . .
O5 C3 C6 C7 175.2(4) . . . .
O6 C3 C6 C5 177.4(4) . . . .
O5 C3 C6 C5 -2.6(6) . . . .
C5 C6 C7 C8 2.6(7) . . . .
C3 C6 C7 C8 -175.2(4) . . . .
C6 C7 C8 C9 2.0(8) . . . .
C7 C8 C9 C4 -3.5(8) . . . .
C5 C4 C9 C8 0.3(7) . . . .
C1 C4 C9 C8 -179.7(4) . . . .
La2 O8 C10 O7 -94.9(6) 1_655 . . .
La2 O8 C10 C13 89.3(5) 1_655 . . .
La1 O7 C10 O8 -176.8(5) . . . .
La1 O7 C10 C13 -1.0(10) . . . .
La2 O10 C11 O9 -21.9(11) 2_766 . . .
La2 O10 C11 C14 163.0(6) 2_766 . . .
La2 O9 C11 O10 103.9(4) . . . .
La1 O9 C11 O10 -99.6(5) . . . .
La2 O9 C11 C14 -81.0(4) . . . .
La1 O9 C11 C14 75.5(4) . . . .
La2 O11 C12 O12 104.2(6) . . . .
La2 O11 C12 C15 -76.6(5) . . . .
O8 C10 C13 C18 45.9(6) . . . .
O7 C10 C13 C18 -130.3(5) . . . .
O8 C10 C13 C14 -136.7(5) . . . .
O7 C10 C13 C14 47.2(6) . . . .
C18 C13 C14 C15 -0.4(7) . . . .
C10 C13 C14 C15 -177.7(4) . . . .
C18 C13 C14 C11 -176.1(4) . . . .
C10 C13 C14 C11 6.6(6) . . . .
O10 C11 C14 C13 76.8(5) . . . .
O9 C11 C14 C13 -98.7(5) . . . .
O10 C11 C14 C15 -98.6(5) . . . .
O9 C11 C14 C15 85.9(5) . . . .
C13 C14 C15 C16 3.5(7) . . . .
C11 C14 C15 C16 178.9(4) . . . .
C13 C14 C15 C12 -175.2(4) . . . .
C11 C14 C15 C12 0.2(7) . . . .
O12 C12 C15 C16 -7.3(7) . . . .
O11 C12 C15 C16 173.4(4) . . . .
O12 C12 C15 C14 171.4(5) . . . .
O11 C12 C15 C14 -7.9(7) . . . .
C14 C15 C16 C17 -3.8(8) . . . .
C12 C15 C16 C17 174.9(5) . . . .
C15 C16 C17 C18 0.9(8) . . . .
C16 C17 C18 C13 2.2(8) . . . .
C14 C13 C18 C17 -2.4(8) . . . .
C10 C13 C18 C17 175.0(5) . . . .
La2 O14 C19 O13 -3.7(9) . . . .
La2 O14 C19 C20 173.9(3) . . . .
La1 O13 C19 O14 -6.4(9) . . . .
La1 O13 C19 C20 176.0(3) . . . .
O14 C19 C20 C21 162.7(5) . . . .
O13 C19 C20 C21 -19.5(7) . . . .
O14 C19 C20 C24 -18.5(7) . . . .
O13 C19 C20 C24 159.3(5) . . . .
C24 C20 C21 C22 0.3(7) . . . .
C19 C20 C21 C22 179.1(5) . . . .
C20 C21 C22 N1 -3.7(8) . . . .
C21 C22 N1 C23 3.3(8) . . . .
C21 C22 N1 Ag1 -175.9(4) . . . .
O4 Ag1 N1 C22 -83.1(15) 2_655 . . .
O8 Ag1 N1 C22 46.4(4) 2_755 . . .
O4 Ag1 N1 C23 97.7(15) 2_655 . . .
O8 Ag1 N1 C23 -132.8(4) 2_755 . . .
C22 N1 C23 C24 0.4(8) . . . .
Ag1 N1 C23 C24 179.7(4) . . . .
C21 C20 C24 C23 3.1(7) . . . .
C19 C20 C24 C23 -175.7(5) . . . .
N1 C23 C24 C20 -3.6(8) . . . .
