#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/24/7212429.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_7212429
loop_
_publ_author_name
'Li, Zhao-Yang'
'Dai, Jing-Wei'
'Yue, Shan-Tang'
'Liu, Ying-Liang'
_publ_section_title
;
 Novel three-dimensional Ln--Ag 4d--4f heteropentametallic helix-based
 microporous metal--organic framework with unprecedented
 (3,4,5,6)-connected topology constructed from isonicotinate ligand
;
_journal_issue                   7
_journal_name_full               CrystEngComm
_journal_page_first              2014
_journal_paper_doi               10.1039/c000058b
_journal_volume                  12
_journal_year                    2010
_chemical_formula_moiety
'C74 H62 Ag6 La4 N12 O35, 4(N O3), 2(H O0.50), 2(H2 O)'
_chemical_formula_sum            'C74 H68 Ag6 La4 N16 O50'
_chemical_formula_weight         3184.31
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 95.9240(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.1160(8)
_cell_length_b                   33.9351(16)
_cell_length_c                   8.3694(4)
_cell_measurement_reflns_used    5276
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.79
_cell_measurement_theta_min      2.16
_cell_volume                     4835.3(4)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX-II (Bruker, 2004)'
_computing_data_reduction        APEX-II
_computing_molecular_graphics    'SHELXTL-XP (Bruker, 2004)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II area-detector diffractometer'
_diffrn_measurement_method       'φ and ω scan'
_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  0.0437
_diffrn_reflns_av_sigmaI/netI    0.0538
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            26645
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    3.019
_exptl_absorpt_correction_T_max  0.7728
_exptl_absorpt_correction_T_min  0.6602
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.187
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3068.0
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.792
_refine_diff_density_min         -0.828
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     685
_refine_ls_number_reflns         9481
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0554
_refine_ls_R_factor_gt           0.0366
_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)+(0.0294P)²+0.3702P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0717
_refine_ls_wR_factor_ref         0.0794
_reflns_number_gt                7205
_reflns_number_total             9481
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c000058b.txt
_cod_data_source_block           1
_cod_original_sg_symbol_Hall     '-P 2ybc '
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7212429
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'
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 0.97047(2) 0.701298(16) -0.34117(6) 0.05681(15) Uani 1 1 d .
Ag2 Ag 1.01276(3) 0.540187(19) 0.11131(7) 0.07123(18) Uani 1 1 d .
Ag3 Ag 0.99736(3) 0.634693(19) 0.38715(7) 0.07398(19) Uani 1 1 d .
C1 C 1.3434(3) 0.72157(15) -0.2854(6) 0.0266(11) Uani 1 1 d .
C2 C 1.2571(3) 0.71191(14) -0.3141(6) 0.0256(11) Uani 1 1 d .
C3 C 1.2082(3) 0.73228(18) -0.4264(7) 0.0434(15) Uani 1 1 d .
H3 H 1.2287 0.7509 -0.4922 0.052 Uiso 1 1 calc R
C4 C 1.1294(3) 0.72492(19) -0.4402(7) 0.0502(16) Uani 1 1 d .
H4 H 1.0975 0.7390 -0.5168 0.060 Uiso 1 1 calc R
C5 C 1.1434(3) 0.67824(17) -0.2469(7) 0.0438(15) Uani 1 1 d .
H5 H 1.1215 0.6592 -0.1852 0.053 Uiso 1 1 calc R
C6 C 1.2231(3) 0.68355(16) -0.2260(6) 0.0372(13) Uani 1 1 d .
H6 H 1.2540 0.6681 -0.1527 0.045 Uiso 1 1 calc R
C7 C 0.7976(3) 0.72556(19) -0.4192(7) 0.0468(15) Uani 1 1 d .
H7 H 0.8179 0.7401 -0.4996 0.056 Uiso 1 1 calc R
C8 C 0.8131(3) 0.67899(17) -0.2216(7) 0.0442(15) Uani 1 1 d .
H8 H 0.8447 0.6606 -0.1633 0.053 Uiso 1 1 calc R
C9 C 0.7366(3) 0.68306(16) -0.1884(6) 0.0372(13) Uani 1 1 d .
H9 H 0.7175 0.6679 -0.1084 0.045 Uiso 1 1 calc R
C10 C 0.6885(3) 0.70975(15) -0.2744(6) 0.0295(12) Uani 1 1 d .
C11 C 0.7201(3) 0.73113(17) -0.3930(6) 0.0399(14) Uani 1 1 d .
H11 H 0.6892 0.7492 -0.4547 0.048 Uiso 1 1 calc R
C12 C 0.6059(3) 0.71802(15) -0.2359(6) 0.0273(11) Uani 1 1 d .
C13 C 0.3626(3) 0.63195(15) 0.2490(6) 0.0276(11) Uani 1 1 d .
C14 C 0.2800(3) 0.63356(14) 0.2943(6) 0.0270(11) Uani 1 1 d .
C15 C 0.2281(3) 0.6600(2) 0.2229(8) 0.068(2) Uani 1 1 d .
H15 H 0.2445 0.6786 0.1515 0.082 Uiso 1 1 calc R
C16 C 0.1508(4) 0.6593(2) 0.2566(9) 0.082(3) Uani 1 1 d .
H16 H 0.1161 0.6774 0.2048 0.099 Uiso 1 1 calc R
C17 C 0.1749(3) 0.61053(18) 0.4355(7) 0.0475(15) Uani 1 1 d .
H17 H 0.1581 0.5938 0.5130 0.057 Uiso 1 1 calc R
C18 C 0.2530(3) 0.60928(17) 0.4064(7) 0.0426(14) Uani 1 1 d .
H18 H 0.2873 0.5918 0.4634 0.051 Uiso 1 1 calc R
C19 C 0.6168(3) 0.64591(15) 0.3221(6) 0.0289(11) Uani 1 1 d .
C20 C 0.7050(3) 0.64269(15) 0.3402(6) 0.0291(11) Uani 1 1 d .
C21 C 0.7496(3) 0.66649(19) 0.2514(7) 0.0537(17) Uani 1 1 d .
H21 H 0.7253 0.6850 0.1807 0.064 Uiso 1 1 calc R
C22 C 0.7444(3) 0.61617(16) 0.4416(7) 0.0429(14) Uani 1 1 d .
H22 H 0.7170 0.5995 0.5042 0.052 Uiso 1 1 calc R
C23 C 0.8257(3) 0.61436(17) 0.4502(7) 0.0489(16) Uani 1 1 d .
H23 H 0.8516 0.5963 0.5206 0.059 Uiso 1 1 calc R
C24 C 0.8294(4) 0.6628(2) 0.2678(8) 0.066(2) Uani 1 1 d .
H24 H 0.8582 0.6795 0.2079 0.079 Uiso 1 1 calc R
C25 C 0.6433(3) 0.57918(15) -0.0053(7) 0.0322(12) Uani 1 1 d .
C26 C 0.7295(3) 0.56805(15) 0.0151(6) 0.0304(12) Uani 1 1 d .
C27 C 0.7801(3) 0.58093(17) -0.0914(7) 0.0421(14) Uani 1 1 d .
H27 H 0.7613 0.5955 -0.1813 0.051 Uiso 1 1 calc R
C28 C 0.8591(3) 0.57202(19) -0.0636(7) 0.0516(17) Uani 1 1 d .
H28 H 0.8925 0.5811 -0.1362 0.062 Uiso 1 1 calc R
C29 C 0.8403(3) 0.5377(2) 0.1620(7) 0.0570(18) Uani 1 1 d .
H29 H 0.8601 0.5222 0.2485 0.068 Uiso 1 1 calc R
C30 C 0.7600(3) 0.54586(18) 0.1435(7) 0.0448(15) Uani 1 1 d .
H30 H 0.7276 0.5364 0.2174 0.054 Uiso 1 1 calc R
C31 C 0.3580(3) 0.49421(15) 0.4342(6) 0.0278(11) Uani 1 1 d .
C32 C 0.2778(3) 0.50460(15) 0.3524(6) 0.0290(11) Uani 1 1 d .
C33 C 0.2683(3) 0.52395(16) 0.2070(6) 0.0369(13) Uani 1 1 d .
H33 H 0.3118 0.5309 0.1551 0.044 Uiso 1 1 calc R
C34 C 0.1929(3) 0.53300(19) 0.1386(7) 0.0506(16) Uani 1 1 d .
H34 H 0.1869 0.5454 0.0389 0.061 Uiso 1 1 calc R
C35 C 0.1384(3) 0.5059(2) 0.3524(7) 0.0535(17) Uani 1 1 d .
H35 H 0.0944 0.4999 0.4043 0.064 Uiso 1 1 calc R
C36 C 0.2105(3) 0.49548(18) 0.4224(7) 0.0451(15) Uani 1 1 d .
H36 H 0.2147 0.4819 0.5195 0.054 Uiso 1 1 calc R
C37 C 0.4703(3) 0.51468(15) -0.0441(6) 0.0314(12) Uani 1 1 d .
La1 La 0.476789(15) 0.707651(8) 0.07047(3) 0.02324(8) Uani 1 1 d .
La2 La 0.515700(15) 0.557618(8) 0.31237(3) 0.02355(8) Uani 1 1 d .
N1 N 1.0954(2) 0.69892(14) -0.3510(6) 0.0410(12) Uani 1 1 d .
N2 N 0.8443(2) 0.70021(14) -0.3341(5) 0.0402(12) Uani 1 1 d .
N3 N 0.1236(3) 0.63416(17) 0.3591(6) 0.0546(14) Uani 1 1 d .
N4 N 0.1287(3) 0.52464(15) 0.2106(6) 0.0491(13) Uani 1 1 d .
N5 N 0.8898(3) 0.55095(16) 0.0625(6) 0.0505(14) Uani 1 1 d .
N6 N 0.8685(3) 0.63678(16) 0.3645(6) 0.0487(13) Uani 1 1 d .
N7 N 0.9769(3) 0.79627(18) 0.5600(7) 0.0513(14) Uani 1 1 d .
N8 N 0.0168(5) 0.5637(3) 0.6440(15) 0.112(4) Uani 1 1 d .
O1 O 1.38251(19) 0.70428(10) -0.1731(4) 0.0338(8) Uani 1 1 d .
O2 O 1.36827(18) 0.74657(10) -0.3772(4) 0.0334(8) Uani 1 1 d .
O3 O 0.58611(19) 0.70441(11) -0.1082(4) 0.0378(9) Uani 1 1 d .
O4 O 0.56459(19) 0.73808(11) -0.3355(4) 0.0386(9) Uani 1 1 d .
O5 O 0.3851(2) 0.66132(11) 0.1766(4) 0.0441(10) Uani 1 1 d .
O6 O 0.40148(19) 0.60153(10) 0.2824(4) 0.0381(9) Uani 1 1 d .
O7 O 0.57937(19) 0.62058(10) 0.3927(4) 0.0367(9) Uani 1 1 d .
O8 O 0.5879(2) 0.67388(11) 0.2398(4) 0.0451(10) Uani 1 1 d .
O9 O 0.6057(2) 0.57213(12) 0.1120(4) 0.0442(10) Uani 1 1 d .
O10 O 0.6177(2) 0.59541(12) -0.1329(4) 0.0475(10) Uani 1 1 d .
O11 O 0.41595(18) 0.51253(11) 0.3954(4) 0.0372(9) Uani 1 1 d .
O12 O 0.35999(19) 0.46747(10) 0.5371(4) 0.0353(9) Uani 1 1 d .
O13 O 0.0411(4) 0.5380(3) 0.7370(11) 0.154(3) Uani 1 1 d .
O14 O -0.0051(6) 0.5550(3) 0.4994(13) 0.151(4) Uani 1 1 d .
O15 O 0.0073(4) 0.5975(2) 0.6830(8) 0.122(2) Uani 1 1 d .
O16 O 0.9908(3) 0.78824(15) 0.7046(6) 0.0701(14) Uani 1 1 d .
O17 O 0.9589(3) 0.76898(15) 0.4637(6) 0.0702(13) Uani 1 1 d .
O18 O 0.9802(3) 0.83041(15) 0.5120(6) 0.0825(16) Uani 1 1 d .
O19 O 0.4448(2) 0.54223(11) 0.0354(4) 0.0390(9) Uani 1 1 d .
O20 O 0.4535(2) 0.50916(10) -0.1925(4) 0.0373(9) Uani 1 1 d .
O1W O 0.3357(7) 0.5917(4) 0.8511(14) 0.118(4) Uani 0.50 1 d P
H1W H 0.3703 0.6019 0.7982 0.177 Uiso 0.50 1 d PR
H2W H 0.3165 0.5712 0.7967 0.177 Uiso 0.50 1 d PR
O2W O 0.4389(3) 0.65735(14) 0.5713(5) 0.0881(17) Uani 1 1 d .
H3W H 0.4536 0.6338 0.5498 0.132 Uiso 1 1 d R
H4W H 0.4310 0.6577 0.6717 0.132 Uiso 1 1 d R
O3W O 0.4716(2) 0.72009(11) 0.3875(4) 0.0424(9) Uani 1 1 d .
H6W H 0.5152 0.7200 0.4395 0.064 Uiso 1 1 d R
H5W H 0.4533 0.6986 0.4103 0.064 Uiso 1 1 d R
O4W O 0.4862(2) 0.63908(11) -0.0652(4) 0.0501(11) Uani 1 1 d .
H7W H 0.5248 0.6267 -0.0869 0.075 Uiso 1 1 d R
H8W H 0.4535 0.6221 -0.0535 0.075 Uiso 1 1 d R
O5W O 0.5010(2) 0.57217(10) 0.6123(4) 0.0376(9) Uani 1 1 d .
H10W H 0.4752 0.5565 0.6608 0.056 Uiso 1 1 d R
H9W H 0.5359 0.5792 0.6810 0.056 Uiso 1 1 d R
O6W O 1.0675(5) 0.6011(2) -0.0111(10) 0.066(3) Uani 0.50 1 d P
H11W H 1.0579 0.5908 -0.1008 0.099 Uiso 0.50 1 d PR
H12W H 1.1116 0.6102 -0.0145 0.099 Uiso 0.50 1 d PR
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
N1 Ag1 N2 176.81(18) . .
N1 Ag1 Ag3 74.67(12) . 1_554
N2 Ag1 Ag3 102.66(12) . 1_554
N5 Ag2 N4 167.12(19) . 1_655
N5 Ag2 O6W 100.5(2) . .
N4 Ag2 O6W 89.5(2) 1_655 .
N5 Ag2 Ag2 87.87(15) . 3_765
N4 Ag2 Ag2 94.52(14) 1_655 3_765
O6W Ag2 Ag2 118.6(2) . 3_765
N6 Ag3 N3 168.88(19) . 1_655
N6 Ag3 Ag1 79.96(13) . 1_556
N3 Ag3 Ag1 106.88(14) 1_655 1_556
O1 C1 O2 126.5(5) . .
O1 C1 C2 117.4(4) . .
O2 C1 C2 116.1(4) . .
C6 C2 C3 117.0(4) . .
C6 C2 C1 121.9(4) . .
C3 C2 C1 121.0(4) . .
C4 C3 C2 119.4(5) . .
C4 C3 H3 120.3 . .
C2 C3 H3 120.3 . .
N1 C4 C3 124.1(5) . .
N1 C4 H4 117.9 . .
C3 C4 H4 117.9 . .
N1 C5 C6 123.5(5) . .
N1 C5 H5 118.2 . .
C6 C5 H5 118.2 . .
C5 C6 C2 119.6(5) . .
C5 C6 H6 120.2 . .
C2 C6 H6 120.2 . .
N2 C7 C11 122.6(5) . .
N2 C7 H7 118.7 . .
C11 C7 H7 118.7 . .
N2 C8 C9 123.1(5) . .
N2 C8 H8 118.4 . .
C9 C8 H8 118.4 . .
C8 C9 C10 119.4(5) . .
C8 C9 H9 120.3 . .
C10 C9 H9 120.3 . .
C9 C10 C11 117.6(5) . .
C9 C10 C12 122.3(4) . .
C11 C10 C12 120.0(5) . .
C7 C11 C10 119.7(5) . .
C7 C11 H11 120.2 . .
C10 C11 H11 120.2 . .
O4 C12 O3 126.6(4) . .
O4 C12 C10 116.1(4) . .
O3 C12 C10 117.3(4) . .
O6 C13 O5 125.9(5) . .
O6 C13 C14 118.0(4) . .
O5 C13 C14 116.1(4) . .
C15 C14 C18 116.7(5) . .
C15 C14 C13 120.2(4) . .
C18 C14 C13 123.1(5) . .
C14 C15 C16 119.7(6) . .
C14 C15 H15 120.1 . .
C16 C15 H15 120.1 . .
N3 C16 C15 123.4(6) . .
N3 C16 H16 118.3 . .
C15 C16 H16 118.3 . .
N3 C17 C18 123.0(5) . .
N3 C17 H17 118.5 . .
C18 C17 H17 118.5 . .
C14 C18 C17 120.3(5) . .
C14 C18 H18 119.9 . .
C17 C18 H18 119.9 . .
O8 C19 O7 126.1(5) . .
O8 C19 C20 116.7(4) . .
O7 C19 C20 117.2(4) . .
C22 C20 C21 117.1(5) . .
C22 C20 C19 122.4(5) . .
C21 C20 C19 120.5(5) . .
C24 C21 C20 119.8(6) . .
C24 C21 H21 120.1 . .
C20 C21 H21 120.1 . .
C20 C22 C23 119.3(5) . .
C20 C22 H22 120.3 . .
C23 C22 H22 120.3 . .
N6 C23 C22 123.8(6) . .
N6 C23 H23 118.1 . .
C22 C23 H23 118.1 . .
N6 C24 C21 123.8(6) . .
N6 C24 H24 118.1 . .
C21 C24 H24 118.1 . .
O10 C25 O9 126.5(5) . .
O10 C25 C26 117.5(4) . .
O9 C25 C26 115.9(5) . .
C30 C26 C27 117.8(5) . .
C30 C26 C25 120.9(5) . .
C27 C26 C25 121.2(5) . .
C26 C27 C28 119.5(5) . .
C26 C27 H27 120.3 . .
C28 C27 H27 120.3 . .
N5 C28 C27 123.3(5) . .
N5 C28 H28 118.4 . .
C27 C28 H28 118.4 . .
N5 C29 C30 123.3(5) . .
N5 C29 H29 118.3 . .
C30 C29 H29 118.3 . .
C26 C30 C29 119.2(5) . .
C26 C30 H30 120.4 . .
C29 C30 H30 120.4 . .
O11 C31 O12 125.4(5) . .
O11 C31 C32 118.5(4) . .
O12 C31 C32 116.1(4) . .
C33 C32 C36 117.0(4) . .
C33 C32 C31 122.0(4) . .
C36 C32 C31 120.9(4) . .
C32 C33 C34 119.2(5) . .
C32 C33 H33 120.4 . .
C34 C33 H33 120.4 . .
N4 C34 C33 122.6(5) . .
N4 C34 H34 118.7 . .
C33 C34 H34 118.7 . .
N4 C35 C36 122.0(5) . .
N4 C35 H35 119.0 . .
C36 C35 H35 119.0 . .
C35 C36 C32 121.3(5) . .
C35 C36 H36 119.3 . .
C32 C36 H36 119.3 . .
O19 C37 O20 125.3(5) . .
O19 C37 C37 118.3(6) . 3_665
O20 C37 C37 116.4(6) . 3_665
O5 La1 O4 139.35(12) . 4_576
O5 La1 O1 83.17(12) . 1_455
O4 La1 O1 128.75(12) 4_576 1_455
O5 La1 O2 79.62(12) . 4_476
O4 La1 O2 85.35(11) 4_576 4_476
O1 La1 O2 74.84(11) 1_455 4_476
O5 La1 O3 136.92(12) . .
O4 La1 O3 75.81(11) 4_576 .
O1 La1 O3 88.29(11) 1_455 .
O2 La1 O3 138.13(11) 4_476 .
O5 La1 O8 88.78(12) . .
O4 La1 O8 76.12(12) 4_576 .
O1 La1 O8 146.33(12) 1_455 .
O2 La1 O8 135.66(11) 4_476 .
O3 La1 O8 75.55(11) . .
O5 La1 O4W 69.83(12) . .
O4 La1 O4W 138.38(11) 4_576 .
O1 La1 O4W 70.29(12) 1_455 .
O2 La1 O4W 135.59(11) 4_476 .
O3 La1 O4W 67.54(12) . .
O8 La1 O4W 76.24(12) . .
O5 La1 O3W 69.93(12) . .
O4 La1 O3W 69.41(11) 4_576 .
O1 La1 O3W 137.27(11) 1_455 .
O2 La1 O3W 68.24(11) 4_476 .
O3 La1 O3W 133.91(11) . .
O8 La1 O3W 67.57(12) . .
O4W La1 O3W 125.40(12) . .
O5 La1 O3W 138.68(11) . 4_575
O4 La1 O3W 61.13(11) 4_576 4_575
O1 La1 O3W 67.65(11) 1_455 4_575
O2 La1 O3W 65.27(10) 4_476 4_575
O3 La1 O3W 72.89(11) . 4_575
O8 La1 O3W 131.52(11) . 4_575
O4W La1 O3W 121.86(11) . 4_575
O3W La1 O3W 112.74(6) . 4_575
O9 La2 O11 146.05(13) . .
O9 La2 O6 111.12(12) . .
O11 La2 O6 80.59(11) . .
O9 La2 O7 73.71(12) . .
O11 La2 O7 140.18(12) . .
O6 La2 O7 79.98(11) . .
O9 La2 O12 81.41(11) . 3_666
O11 La2 O12 103.06(11) . 3_666
O6 La2 O12 152.22(12) . 3_666
O7 La2 O12 80.14(11) . 3_666
O9 La2 O20 74.86(12) . 3_665
O11 La2 O20 74.63(11) . 3_665
O6 La2 O20 133.94(11) . 3_665
O7 La2 O20 140.72(11) . 3_665
O12 La2 O20 72.38(11) 3_666 3_665
O9 La2 O19 72.11(12) . .
O11 La2 O19 81.35(12) . .
O6 La2 O19 74.47(11) . .
O7 La2 O19 125.48(12) . .
O12 La2 O19 133.24(11) 3_666 .
O20 La2 O19 63.95(11) 3_665 .
O9 La2 O5W 139.19(12) . .
O11 La2 O5W 72.80(11) . .
O6 La2 O5W 80.06(11) . .
O7 La2 O5W 69.82(11) . .
O12 La2 O5W 74.97(11) 3_666 .
O20 La2 O5W 126.36(11) 3_665 .
O19 La2 O5W 146.21(11) . .
C4 N1 C5 116.2(5) . .
C4 N1 Ag1 119.5(4) . .
C5 N1 Ag1 122.8(4) . .
C7 N2 C8 117.5(4) . .
C7 N2 Ag1 121.4(4) . .
C8 N2 Ag1 120.0(4) . .
C17 N3 C16 116.6(5) . .
C17 N3 Ag3 124.8(4) . 1_455
C16 N3 Ag3 118.6(4) . 1_455
C34 N4 C35 117.8(5) . .
C34 N4 Ag2 123.1(4) . 1_455
C35 N4 Ag2 119.1(4) . 1_455
C29 N5 C28 116.9(5) . .
C29 N5 Ag2 120.2(4) . .
C28 N5 Ag2 122.9(4) . .
C23 N6 C24 116.2(5) . .
C23 N6 Ag3 122.9(4) . .
C24 N6 Ag3 120.7(4) . .
O18 N7 O16 121.0(6) . .
O18 N7 O17 120.4(6) . .
O16 N7 O17 118.6(6) . .
O15 N8 O13 123.8(14) . .
O15 N8 O14 116.5(12) . .
O13 N8 O14 119.5(12) . .
C1 O1 La1 149.0(3) . 1_655
C1 O2 La1 147.0(3) . 4_675
C12 O3 La1 141.3(3) . .
C12 O4 La1 156.3(3) . 4_575
C13 O5 La1 158.4(3) . .
C13 O6 La2 158.5(3) . .
C19 O7 La2 134.3(3) . .
C19 O8 La1 152.8(3) . .
C25 O9 La2 171.7(4) . .
C31 O11 La2 170.8(3) . .
C31 O12 La2 123.7(3) . 3_666
C37 O19 La2 118.3(3) . .
C37 O20 La2 118.9(3) . 3_665
H1W O1W H2W 107.4 . .
H3W O2W H4W 107.1 . .
La1 O3W La1 130.73(14) . 4_576
La1 O3W H6W 113.6 . .
La1 O3W H6W 75.2 4_576 .
La1 O3W H5W 98.2 . .
La1 O3W H5W 128.3 4_576 .
H6W O3W H5W 102.7 . .
La1 O4W H7W 130.0 . .
La1 O4W H8W 120.3 . .
H7W O4W H8W 104.2 . .
La2 O5W H10W 117.7 . .
La2 O5W H9W 126.6 . .
H10W O5W H9W 103.3 . .
Ag2 O6W H11W 88.5 . .
Ag2 O6W H12W 134.5 . .
H11W O6W H12W 103.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N1 2.151(4) .
Ag1 N2 2.166(4) .
Ag1 Ag3 3.2721(8) 1_554
Ag2 N5 2.134(4) .
Ag2 N4 2.137(4) 1_655
Ag2 O6W 2.530(8) .
Ag2 Ag2 3.3066(13) 3_765
Ag3 N6 2.196(4) .
Ag3 N3 2.198(4) 1_655
Ag3 Ag1 3.2721(8) 1_556
C1 O1 1.244(6) .
C1 O2 1.249(5) .
C1 C2 1.508(6) .
C2 C6 1.378(6) .
C2 C3 1.379(7) .
C3 C4 1.364(7) .
C3 H3 0.9300 .
C4 N1 1.328(7) .
C4 H4 0.9300 .
C5 N1 1.333(7) .
C5 C6 1.369(7) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 N2 1.330(7) .
C7 C11 1.379(7) .
C7 H7 0.9300 .
C8 N2 1.340(7) .
C8 C9 1.373(6) .
C8 H8 0.9300 .
C9 C10 1.376(7) .
C9 H9 0.9300 .
C10 C11 1.384(7) .
C10 C12 1.509(6) .
C11 H11 0.9300 .
C12 O4 1.239(6) .
C12 O3 1.243(6) .
C13 O6 1.245(6) .
C13 O5 1.248(6) .
C13 C14 1.501(6) .
C14 C15 1.358(7) .
C14 C18 1.365(7) .
C15 C16 1.380(8) .
C15 H15 0.9300 .
C16 N3 1.328(8) .
C16 H16 0.9300 .
C17 N3 1.306(7) .
C17 C18 1.385(7) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 O8 1.245(6) .
C19 O7 1.256(6) .
C19 C20 1.506(6) .
C20 C22 1.366(7) .
C20 C21 1.380(7) .
C21 C24 1.364(8) .
C21 H21 0.9300 .
C22 C23 1.387(7) .
C22 H22 0.9300 .
C23 N6 1.318(7) .
C23 H23 0.9300 .
C24 N6 1.331(8) .
C24 H24 0.9300 .
C25 O10 1.241(6) .
C25 O9 1.251(6) .
C25 C26 1.514(6) .
C26 C30 1.371(7) .
C26 C27 1.378(7) .
C27 C28 1.380(7) .
C27 H27 0.9300 .
C28 N5 1.337(7) .
C28 H28 0.9300 .
C29 N5 1.327(7) .
C29 C30 1.394(7) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 O11 1.242(5) .
C31 O12 1.249(6) .
C31 C32 1.512(6) .
C32 C33 1.378(7) .
C32 C36 1.380(6) .
C33 C34 1.391(7) .
C33 H33 0.9300 .
C34 N4 1.337(7) .
C34 H34 0.9300 .
C35 N4 1.342(7) .
C35 C36 1.357(7) .
C35 H35 0.9300 .
C36 H36 0.9300 .
C37 O19 1.253(6) .
C37 O20 1.260(5) .
C37 C37 1.554(10) 3_665
La1 O5 2.452(3) .
La1 O4 2.455(3) 4_576
La1 O1 2.468(3) 1_455
La1 O2 2.494(3) 4_476
La1 O3 2.515(3) .
La1 O8 2.526(4) .
La1 O4W 2.601(4) .
La1 O3W 2.697(3) .
La1 O3W 2.888(4) 4_575
La2 O9 2.442(3) .
La2 O11 2.446(3) .
La2 O6 2.450(3) .
La2 O7 2.461(3) .
La2 O12 2.507(3) 3_666
La2 O20 2.555(3) 3_665
La2 O19 2.557(3) .
La2 O5W 2.596(3) .
N3 Ag3 2.198(4) 1_455
N4 Ag2 2.137(4) 1_455
N7 O18 1.229(6) .
N7 O16 1.240(6) .
N7 O17 1.245(6) .
N8 O15 1.208(10) .
N8 O13 1.215(11) .
N8 O14 1.264(12) .
O1 La1 2.468(3) 1_655
O2 La1 2.494(3) 4_675
O4 La1 2.455(3) 4_575
O12 La2 2.507(3) 3_666
O20 La2 2.555(3) 3_665
O1W H1W 0.8493 .
O1W H2W 0.8768 .
O2W H3W 0.8618 .
O2W H4W 0.8650 .
O3W La1 2.888(4) 4_576
O3W H6W 0.8239 .
O3W H5W 0.8230 .
O4W H7W 0.8188 .
O4W H8W 0.8174 .
O5W H10W 0.8238 .
O5W H9W 0.8211 .
O6W H11W 0.8302 .
O6W H12W 0.8183 .
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
O1W H1W O4W 0.85 2.52 3.057(14) 121.8 1_556
O2W H3W O5W 0.86 2.29 3.087(6) 154.8 .
O2W H3W O6 0.86 2.57 3.086(5) 119.6 .
O2W H4W O1 0.87 2.26 2.910(5) 132.2 1_456
O2W H4W O4W 0.87 2.39 3.128(6) 143.6 1_556
O3W H6W O4 0.82 2.07 2.742(5) 137.8 1_556
O3W H5W O2W 0.82 1.98 2.719(6) 149.7 .
O3W H5W O5 0.82 2.51 2.957(5) 115.0 .
O4W H7W O10 0.82 1.98 2.801(5) 177.8 .
O4W H8W O1W 0.82 2.33 3.057(14) 148.3 1_554
O5W H10W O20 0.82 2.08 2.859(5) 157.9 1_556
O5W H9W O10 0.82 2.06 2.877(5) 175.4 1_556
O6W H11W O15 0.83 1.94 2.662(11) 145.3 1_654
O6W H11W O13 0.83 2.25 3.007(13) 152.2 1_654
O6W H11W N8 0.83 2.36 3.190(16) 173.9 1_654
