#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/89/4508903.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4508903
loop_
_publ_author_name
'Gu, Xiaojun'
'Xue, Dongfeng'
_publ_section_title
;
 Selected Controlled Synthesis of Three-Dimensional 4d−4f
 Heterometallic Coordination Frameworks by Lanthanide Carboxylate Subunits
 and Silver Centers
;
_journal_issue                   11
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2551
_journal_paper_doi               10.1021/cg060485o
_journal_volume                  6
_journal_year                    2006
_chemical_formula_sum            'C62 H38.5 Ag N5 Nd4 O27.75'
_chemical_formula_weight         1982.31
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_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                 115.118(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   31.257(20)
_cell_length_b                   13.957(9)
_cell_length_c                   31.33(3)
_cell_measurement_temperature    293(2)
_cell_volume                     12375(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_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  0.0563
_diffrn_reflns_av_sigmaI/netI    0.0801
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            37892
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    3.704
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    2.128
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             7636
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.912
_refine_diff_density_min         -0.899
_refine_diff_density_rms         0.171
_refine_ls_extinction_coef       0.000012(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     906
_refine_ls_number_reflns         14836
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0815
_refine_ls_R_factor_gt           0.0420
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0150P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0651
_refine_ls_wR_factor_ref         0.0765
_reflns_number_gt                9417
_reflns_number_total             14836
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg060485osup1.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C62 H38.50 Ag N5 Nd4 O27.75'
_cod_database_code               4508903
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
Nd1 Nd 0.351302(9) 0.36588(2) 0.079488(10) 0.02387(8) Uani 1 1 d .
Nd2 Nd 0.352639(10) 0.12617(2) 0.003375(10) 0.02461(8) Uani 1 1 d .
Nd3 Nd 0.448320(10) 0.62712(2) 0.138248(12) 0.03024(9) Uani 1 1 d .
Nd4 Nd 0.463622(10) 0.85834(2) 0.052992(10) 0.02446(8) Uani 1 1 d .
Ag1 Ag 0.263721(16) -0.38565(4) -0.198103(16) 0.04005(13) Uani 1 1 d .
O12 O 0.43427(12) 0.4338(3) 0.11152(13) 0.0329(10) Uani 1 1 d .
O24 O 0.43973(13) 0.8314(3) 0.11625(13) 0.0377(10) Uani 1 1 d .
O28 O 0.53026(13) 0.8852(3) 0.03140(14) 0.0422(11) Uani 1 1 d .
O16 O 0.36950(12) 0.6415(3) 0.08616(14) 0.0416(11) Uani 1 1 d .
O22 O 0.38156(12) 0.3094(2) 0.02067(12) 0.0271(9) Uani 1 1 d .
C24 C 0.38961(19) -0.0452(4) -0.05375(19) 0.0271(13) Uani 1 1 d .
C21 C 0.36367(18) -0.1180(4) -0.09174(18) 0.0280(13) Uani 1 1 d .
O8 O 0.36736(13) 0.0282(3) -0.05340(13) 0.0372(10) Uani 1 1 d .
C39 C 0.33119(19) 0.5987(4) 0.06190(19) 0.0293(13) Uani 1 1 d .
C53 C 0.42929(19) 0.9343(4) 0.1720(2) 0.0291(13) Uani 1 1 d .
C62 C 0.2494(2) 0.3089(4) 0.1004(2) 0.0317(14) Uani 1 1 d .
O20 O 0.46659(14) 0.7185(3) 0.01026(14) 0.0415(11) Uani 1 1 d .
O23 O 0.43440(17) 0.7657(3) 0.17684(15) 0.0536(13) Uani 1 1 d .
C31 C 0.4781(2) 0.4243(4) 0.1368(2) 0.0307(14) Uani 1 1 d .
N3 N 0.18216(17) -0.3634(4) -0.24354(19) 0.0485(15) Uani 1 1 d .
O15 O 0.32777(13) 0.5174(3) 0.04374(13) 0.0344(10) Uani 1 1 d .
C48 C 0.39580(18) 0.3065(4) -0.01181(19) 0.0251(13) Uani 1 1 d .
C55 C 0.4342(2) 0.8372(4) 0.1537(2) 0.0345(15) Uani 1 1 d .
N2 N 0.25761(18) -0.4824(3) -0.14139(17) 0.0378(13) Uani 1 1 d .
N1 N 0.30490(19) -0.4611(4) -0.23516(19) 0.0440(14) Uani 1 1 d .
O10 O 0.28855(13) 0.3195(3) 0.09919(13) 0.0437(11) Uani 1 1 d .
C22 C 0.38231(19) -0.2070(4) -0.0923(2) 0.0323(14) Uani 1 1 d .
H22A H 0.4129 -0.2220 -0.0709 0.039 Uiso 1 1 calc R
N4 N 0.31104(17) -0.2564(4) -0.15708(16) 0.0381(13) Uani 1 1 d .
C59 C 0.2497(2) 0.2599(4) 0.1439(2) 0.0323(14) Uani 1 1 d .
C20 C 0.3182(2) -0.1003(4) -0.1255(2) 0.0388(16) Uani 1 1 d .
H20A H 0.3043 -0.0409 -0.1266 0.047 Uiso 1 1 calc R
O13 O 0.43539(13) 0.1008(3) 0.04972(14) 0.0398(11) Uani 1 1 d .
O21 O 0.39314(13) 0.2310(3) -0.03452(13) 0.0344(10) Uani 1 1 d .
O9 O 0.21052(13) 0.3380(3) 0.07071(14) 0.0431(11) Uani 1 1 d .
O11 O 0.50309(14) 0.4936(3) 0.15891(16) 0.0533(13) Uani 1 1 d .
C45 C 0.41604(16) 0.3936(4) -0.02337(18) 0.0212(12) Uani 1 1 d .
C47 C 0.45474(18) 0.6440(4) 0.0252(2) 0.0301(14) Uani 1 1 d .
C46 C 0.42474(18) 0.3956(4) -0.06316(19) 0.0303(14) Uani 1 1 d .
H46A H 0.4189 0.3415 -0.0821 0.036 Uiso 1 1 calc R
C42 C 0.45121(18) 0.5588(4) -0.04696(19) 0.0300(14) Uani 1 1 d .
H42A H 0.4627 0.6141 -0.0550 0.036 Uiso 1 1 calc R
C44 C 0.42518(16) 0.4751(4) 0.00453(18) 0.0234(12) Uani 1 1 d .
H44A H 0.4193 0.4747 0.0312 0.028 Uiso 1 1 calc R
C43 C 0.44325(17) 0.5581(4) -0.00716(19) 0.0249(13) Uani 1 1 d .
C54 C 0.4407(2) 0.9420(4) 0.2198(2) 0.0459(17) Uani 1 1 d .
H54A H 0.4502 0.8881 0.2390 0.055 Uiso 1 1 calc R
O19 O 0.45280(13) 0.6397(3) 0.06419(14) 0.0377(10) Uani 1 1 d .
C41 C 0.44234(18) 0.4789(4) -0.0751(2) 0.0299(14) Uani 1 1 d .
H41A H 0.4480 0.4800 -0.1020 0.036 Uiso 1 1 calc R
C4 C 0.3752(2) -0.5101(4) -0.2422(2) 0.0423(17) Uani 1 1 d .
H4A H 0.4067 -0.5288 -0.2274 0.051 Uiso 1 1 calc R
C11 C 0.2167(2) -0.5027(4) -0.1399(2) 0.0425(17) Uani 1 1 d .
H11A H 0.1889 -0.4859 -0.1656 0.051 Uiso 1 1 calc R
C23 C 0.3551(2) -0.2735(4) -0.1250(2) 0.0405(16) Uani 1 1 d .
H23A H 0.3680 -0.3337 -0.1247 0.049 Uiso 1 1 calc R
C2 C 0.3053(2) -0.4825(5) -0.3100(2) 0.0461(18) Uani 1 1 d .
H2A H 0.2885 -0.4814 -0.3426 0.055 Uiso 1 1 calc R
C60 C 0.2080(2) 0.2415(5) 0.1470(2) 0.0444(17) Uani 1 1 d .
H60A H 0.1792 0.2576 0.1223 0.053 Uiso 1 1 calc R
C17 C 0.1595(2) -0.4013(5) -0.2864(2) 0.0508(19) Uani 1 1 d .
H17A H 0.1737 -0.4518 -0.2948 0.061 Uiso 1 1 calc R
C5 C 0.3504(2) -0.4866(4) -0.2161(2) 0.0461(18) Uani 1 1 d .
H5A H 0.3664 -0.4886 -0.1834 0.055 Uiso 1 1 calc R
C13 C 0.1594(2) -0.2948(5) -0.2321(2) 0.0447(17) Uani 1 1 d .
H13A H 0.1740 -0.2687 -0.2020 0.054 Uiso 1 1 calc R
C58 C 0.2912(2) 0.2329(5) 0.1810(2) 0.0487(18) Uani 1 1 d .
H58A H 0.3202 0.2426 0.1799 0.058 Uiso 1 1 calc R
C7 C 0.2969(2) -0.5073(4) -0.1034(2) 0.0426(17) Uani 1 1 d .
H7A H 0.3260 -0.4927 -0.1033 0.051 Uiso 1 1 calc R
C1 C 0.2830(2) -0.4615(5) -0.2817(2) 0.0521(19) Uani 1 1 d .
H1A H 0.2509 -0.4468 -0.2960 0.063 Uiso 1 1 calc R
C19 C 0.2936(2) -0.1706(5) -0.1576(2) 0.0478(18) Uani 1 1 d .
H19A H 0.2634 -0.1567 -0.1804 0.057 Uiso 1 1 calc R
C49 C 0.4380(3) 1.0292(5) 0.2385(2) 0.063(2) Uani 1 1 d .
H49A H 0.4458 1.0344 0.2705 0.076 Uiso 1 1 calc R
N5 N 0.2490(3) 0.1729(5) 0.2239(2) 0.0660(19) Uani 1 1 d .
C61 C 0.2094(3) 0.1984(5) 0.1875(3) 0.064(2) Uani 1 1 d .
H61A H 0.1809 0.1866 0.1892 0.076 Uiso 1 1 calc R
C57 C 0.2890(3) 0.1909(5) 0.2200(3) 0.067(2) Uani 1 1 d .
H57A H 0.3173 0.1743 0.2452 0.081 Uiso 1 1 calc R
O27 O 0.4979(4) 0.6124(8) 0.2336(3) 0.079(3) Uani 0.50 1 d P
O1W O 0.4649(8) 0.3774(18) 0.2318(9) 0.114(9) Uiso 0.25 1 d P
C37 C 0.28678(18) 0.6509(4) 0.05646(19) 0.0278(13) Uani 1 1 d .
C36 C 0.24249(17) 0.6130(4) 0.02897(18) 0.0285(13) Uani 1 1 d .
H36A H 0.2404 0.5532 0.0152 0.034 Uiso 1 1 calc R
C38 C 0.2897(2) 0.7379(4) 0.0786(2) 0.0414(17) Uani 1 1 d .
H38A H 0.3191 0.7636 0.0981 0.050 Uiso 1 1 calc R
C33 C 0.2487(2) 0.7865(5) 0.0715(2) 0.0482(19) Uani 1 1 d .
H33A H 0.2506 0.8452 0.0863 0.058 Uiso 1 1 calc R
C34 C 0.2050(2) 0.7494(4) 0.0428(2) 0.0386(16) Uani 1 1 d .
H34A H 0.1776 0.7834 0.0378 0.046 Uiso 1 1 calc R
C35 C 0.20195(18) 0.6612(4) 0.02159(19) 0.0272(13) Uani 1 1 d .
C40 C 0.15422(19) 0.6202(5) -0.00894(19) 0.0313(14) Uani 1 1 d .
O18 O 0.11900(12) 0.6733(3) -0.01681(14) 0.0394(11) Uani 1 1 d .
O17 O 0.15117(13) 0.5358(3) -0.02436(14) 0.0400(11) Uani 1 1 d .
C29 C 0.50181(19) 0.3291(4) 0.1404(2) 0.0297(14) Uani 1 1 d .
C28 C 0.48008(17) 0.2548(4) 0.10960(18) 0.0252(13) Uani 1 1 d .
H28A H 0.4501 0.2642 0.0856 0.030 Uiso 1 1 calc R
C30 C 0.5466(2) 0.3139(5) 0.1758(2) 0.0407(16) Uani 1 1 d .
H30A H 0.5618 0.3629 0.1969 0.049 Uiso 1 1 calc R
C27 C 0.50164(18) 0.1678(4) 0.11361(19) 0.0267(13) Uani 1 1 d .
C25 C 0.5688(2) 0.2280(4) 0.1799(2) 0.0458(18) Uani 1 1 d .
H25A H 0.5991 0.2191 0.2035 0.055 Uiso 1 1 calc R
C26 C 0.5462(2) 0.1533(4) 0.1490(2) 0.0364(15) Uani 1 1 d .
H26A H 0.5610 0.0942 0.1523 0.044 Uiso 1 1 calc R
C32 C 0.47588(19) 0.0854(4) 0.0816(2) 0.0325(14) Uani 1 1 d .
O14 O 0.49596(14) 0.0067(3) 0.08920(15) 0.0456(12) Uani 1 1 d .
C52 C 0.41443(18) 1.0140(4) 0.1433(2) 0.0318(14) Uani 1 1 d .
H52A H 0.4069 1.0085 0.1113 0.038 Uiso 1 1 calc R
C51 C 0.41068(19) 1.1022(4) 0.1618(2) 0.0308(14) Uani 1 1 d .
C56 C 0.39237(18) 1.1893(4) 0.1316(2) 0.0272(13) Uani 1 1 d .
C50 C 0.4235(2) 1.1101(5) 0.2100(2) 0.0516(19) Uani 1 1 d .
H50A H 0.4224 1.1694 0.2231 0.062 Uiso 1 1 calc R
O26 O 0.39525(13) 1.2686(3) 0.15086(13) 0.0373(10) Uani 1 1 d .
O25 O 0.37300(12) 1.1825(3) 0.08667(13) 0.0311(9) Uani 1 1 d .
O7 O 0.43121(12) -0.0643(3) -0.02487(12) 0.0307(9) Uani 1 1 d .
C3 C 0.3525(2) -0.5053(4) -0.2901(2) 0.0325(14) Uani 1 1 d .
C10 C 0.2133(2) -0.5477(4) -0.1020(2) 0.0377(16) Uani 1 1 d .
H10A H 0.1839 -0.5597 -0.1022 0.045 Uiso 1 1 calc R
C9 C 0.25374(18) -0.5741(4) -0.06446(19) 0.0275(13) Uani 1 1 d .
C8 C 0.2966(2) -0.5531(4) -0.0648(2) 0.0401(16) Uani 1 1 d .
H8A H 0.3248 -0.5695 -0.0394 0.048 Uiso 1 1 calc R
C16 C 0.1159(2) -0.3698(5) -0.3189(2) 0.0468(17) Uani 1 1 d .
H16A H 0.1019 -0.3978 -0.3486 0.056 Uiso 1 1 calc R
C15 C 0.09355(19) -0.2969(4) -0.3070(2) 0.0309(14) Uani 1 1 d .
C14 C 0.11530(19) -0.2597(4) -0.2622(2) 0.0391(16) Uani 1 1 d .
H14A H 0.1008 -0.2120 -0.2523 0.047 Uiso 1 1 calc R
C6 C 0.3772(2) -0.5173(4) -0.3221(2) 0.0364(15) Uani 1 1 d .
O4 O 0.41341(17) -0.5681(3) -0.30882(15) 0.0563(13) Uani 1 1 d .
O3 O 0.35850(15) -0.4742(3) -0.36054(15) 0.0475(12) Uani 1 1 d .
C12 C 0.25195(19) -0.6253(4) -0.02263(19) 0.0273(13) Uani 1 1 d .
O2 O 0.21416(13) -0.6224(3) -0.01924(13) 0.0425(11) Uani 1 1 d .
O1 O 0.28899(13) -0.6666(3) 0.00486(13) 0.0358(10) Uani 1 1 d .
C18 C 0.0464(2) -0.2598(4) -0.3428(2) 0.0328(14) Uani 1 1 d .
O6 O 0.03175(13) -0.2937(3) -0.38357(14) 0.0414(11) Uani 1 1 d .
O5 O 0.02639(13) -0.1977(3) -0.32934(15) 0.0501(12) Uani 1 1 d .
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
O3 Nd1 O15 72.97(15) 6_556 .
O3 Nd1 O1 132.34(15) 6_556 1_565
O15 Nd1 O1 75.11(13) . 1_565
O3 Nd1 O10 77.12(15) 6_556 .
O15 Nd1 O10 103.96(14) . .
O1 Nd1 O10 77.35(14) 1_565 .
O3 Nd1 O26 78.60(15) 6_556 1_545
O15 Nd1 O26 149.58(13) . 1_545
O1 Nd1 O26 134.10(13) 1_565 1_545
O10 Nd1 O26 79.58(14) . 1_545
O3 Nd1 O22 147.77(13) 6_556 .
O15 Nd1 O22 94.07(13) . .
O1 Nd1 O22 68.02(13) 1_565 .
O10 Nd1 O22 135.10(13) . .
O26 Nd1 O22 104.59(13) 1_545 .
O3 Nd1 O12 73.01(14) 6_556 .
O15 Nd1 O12 85.01(13) . .
O1 Nd1 O12 137.54(12) 1_565 .
O10 Nd1 O12 144.66(13) . .
O26 Nd1 O12 76.43(13) 1_545 .
O22 Nd1 O12 76.62(12) . .
O3 Nd1 O25 128.62(13) 6_556 1_545
O15 Nd1 O25 158.26(12) . 1_545
O1 Nd1 O25 88.41(12) 1_565 1_545
O10 Nd1 O25 85.67(13) . 1_545
O26 Nd1 O25 50.60(12) 1_545 1_545
O22 Nd1 O25 66.23(11) . 1_545
O12 Nd1 O25 98.43(12) . 1_545
O3 Nd1 C56 103.02(16) 6_556 1_545
O15 Nd1 C56 172.53(14) . 1_545
O1 Nd1 C56 111.77(15) 1_565 1_545
O10 Nd1 C56 80.90(15) . 1_545
O26 Nd1 C56 24.82(13) 1_545 1_545
O22 Nd1 C56 86.15(14) . 1_545
O12 Nd1 C56 87.79(14) . 1_545
O25 Nd1 C56 25.81(12) 1_545 1_545
O3 Nd1 Nd2 164.95(10) 6_556 .
O15 Nd1 Nd2 122.07(11) . .
O1 Nd1 Nd2 58.58(10) 1_565 .
O10 Nd1 Nd2 98.13(11) . .
O26 Nd1 Nd2 86.52(11) 1_545 .
O22 Nd1 Nd2 39.28(8) . .
O12 Nd1 Nd2 105.84(9) . .
O25 Nd1 Nd2 36.33(9) 1_545 .
C56 Nd1 Nd2 61.97(13) 1_545 .
O2 Nd2 O17 76.46(14) 7_545 7
O2 Nd2 O9 76.48(14) 7_545 7
O17 Nd2 O9 110.66(14) 7 7
O2 Nd2 O13 134.30(14) 7_545 .
O17 Nd2 O13 81.93(13) 7 .
O9 Nd2 O13 149.22(13) 7 .
O2 Nd2 O8 127.14(13) 7_545 .
O17 Nd2 O8 73.43(14) 7 .
O9 Nd2 O8 74.99(14) 7 .
O13 Nd2 O8 82.52(13) . .
O2 Nd2 O25 69.23(13) 7_545 1_545
O17 Nd2 O25 91.74(13) 7 1_545
O9 Nd2 O25 133.01(13) 7 1_545
O13 Nd2 O25 71.75(12) . 1_545
O8 Nd2 O25 151.98(12) . 1_545
O2 Nd2 O21 141.19(13) 7_545 .
O17 Nd2 O21 140.67(13) 7 .
O9 Nd2 O21 78.11(14) 7 .
O13 Nd2 O21 75.15(14) . .
O8 Nd2 O21 72.25(13) . .
O25 Nd2 O21 110.26(12) 1_545 .
O2 Nd2 O22 103.41(13) 7_545 .
O17 Nd2 O22 154.52(12) 7 .
O9 Nd2 O22 93.76(13) 7 .
O13 Nd2 O22 80.45(12) . .
O8 Nd2 O22 121.93(12) . .
O25 Nd2 O22 65.28(11) 1_545 .
O21 Nd2 O22 49.75(11) . .
O2 Nd2 C48 123.77(15) 7_545 .
O17 Nd2 C48 157.89(14) 7 .
O9 Nd2 C48 84.91(14) 7 .
O13 Nd2 C48 77.08(14) . .
O8 Nd2 C48 96.80(15) . .
O25 Nd2 C48 88.26(14) 1_545 .
O21 Nd2 C48 24.56(12) . .
O22 Nd2 C48 25.21(12) . .
O2 Nd2 Nd1 70.50(10) 7_545 .
O17 Nd2 Nd1 126.86(11) 7 .
O9 Nd2 Nd1 100.74(11) 7 .
O13 Nd2 Nd1 92.44(9) . .
O8 Nd2 Nd1 158.38(9) . .
O25 Nd2 Nd1 37.98(8) 1_545 .
O21 Nd2 Nd1 86.13(10) . .
O22 Nd2 Nd1 36.52(8) . .
C48 Nd2 Nd1 61.59(12) . .
O16 Nd3 O19 78.03(14) . .
O16 Nd3 O23 85.38(15) . .
O19 Nd3 O23 121.60(14) . .
O16 Nd3 O5 147.41(14) . 8_556
O19 Nd3 O5 85.02(14) . 8_556
O23 Nd3 O5 80.08(16) . 8_556
O16 Nd3 O11 132.40(14) . .
O19 Nd3 O11 89.43(15) . .
O23 Nd3 O11 137.57(15) . .
O5 Nd3 O11 74.27(14) 8_556 .
O16 Nd3 O4 82.05(16) . 6_556
O19 Nd3 O4 153.78(14) . 6_556
O23 Nd3 O4 73.01(15) . 6_556
O5 Nd3 O4 120.41(16) 8_556 6_556
O11 Nd3 O4 91.56(16) . 6_556
O16 Nd3 O27 135.9(2) . .
O19 Nd3 O27 146.0(2) . .
O23 Nd3 O27 69.6(3) . .
O5 Nd3 O27 64.4(2) 8_556 .
O11 Nd3 O27 69.0(2) . .
O4 Nd3 O27 56.6(2) 6_556 .
O16 Nd3 O12 83.57(12) . .
O19 Nd3 O12 81.21(12) . .
O23 Nd3 O12 151.77(13) . .
O5 Nd3 O12 121.29(13) 8_556 .
O11 Nd3 O12 48.98(12) . .
O4 Nd3 O12 79.77(13) 6_556 .
O27 Nd3 O12 101.5(2) . .
O16 Nd3 O24 77.59(12) . .
O19 Nd3 O24 74.70(12) . .
O23 Nd3 O24 47.02(13) . .
O5 Nd3 O24 71.13(12) 8_556 .
O11 Nd3 O24 142.88(13) . .
O4 Nd3 O24 117.38(13) 6_556 .
O27 Nd3 O24 106.5(2) . .
O12 Nd3 O24 151.94(11) . .
O16 Nd3 C31 108.47(15) . .
O19 Nd3 C31 84.72(14) . .
O23 Nd3 C31 152.86(15) . .
O5 Nd3 C31 97.29(15) 8_556 .
O11 Nd3 C31 24.00(13) . .
O4 Nd3 C31 85.62(16) 6_556 .
O27 Nd3 C31 84.8(3) . .
O12 Nd3 C31 24.98(12) . .
O24 Nd3 C31 156.98(13) . .
O16 Nd3 C55 81.12(15) . .
O19 Nd3 C55 98.95(15) . .
O23 Nd3 C55 22.73(14) . .
O5 Nd3 C55 74.23(15) 8_556 .
O11 Nd3 C55 146.48(14) . .
O4 Nd3 C55 94.59(16) 6_556 .
O27 Nd3 C55 87.2(3) . .
O12 Nd3 C55 164.29(13) . .
O24 Nd3 C55 24.29(13) . .
C31 Nd3 C55 170.32(16) . .
O14 Nd4 O18 123.09(14) 1_565 7_565
O14 Nd4 O6 83.31(14) 1_565 8_556
O18 Nd4 O6 136.89(14) 7_565 8_556
O14 Nd4 O20 150.56(14) 1_565 .
O18 Nd4 O20 82.76(14) 7_565 .
O6 Nd4 O20 85.68(14) 8_556 .
O14 Nd4 O24 87.76(15) 1_565 .
O18 Nd4 O24 73.28(14) 7_565 .
O6 Nd4 O24 74.72(14) 8_556 .
O20 Nd4 O24 115.43(14) . .
O14 Nd4 O7 90.22(14) 1_565 1_565
O18 Nd4 O7 72.66(13) 7_565 1_565
O6 Nd4 O7 146.90(13) 8_556 1_565
O20 Nd4 O7 84.29(14) . 1_565
O24 Nd4 O7 137.62(13) . 1_565
O14 Nd4 O28 76.19(14) 1_565 .
O18 Nd4 O28 140.03(14) 7_565 .
O6 Nd4 O28 74.24(15) 8_556 .
O20 Nd4 O28 74.55(13) . .
O24 Nd4 O28 146.41(13) . .
O7 Nd4 O28 72.70(13) 1_565 .
N2 Ag1 N1 111.41(19) . .
N2 Ag1 N4 105.57(18) . .
N1 Ag1 N4 105.62(18) . .
N2 Ag1 N3 96.94(19) . .
N1 Ag1 N3 116.5(2) . .
N4 Ag1 N3 119.98(19) . .
C31 O12 Nd1 149.6(4) . .
C31 O12 Nd3 85.6(3) . .
Nd1 O12 Nd3 118.85(13) . .
C55 O24 Nd4 164.4(4) . .
C55 O24 Nd3 83.0(3) . .
Nd4 O24 Nd3 108.36(13) . .
C39 O16 Nd3 146.8(4) . .
C48 O22 Nd1 163.5(3) . .
C48 O22 Nd2 90.6(3) . .
Nd1 O22 Nd2 104.20(12) . .
O8 C24 O7 125.5(5) . .
O8 C24 C21 116.5(5) . .
O7 C24 C21 117.9(5) . .
C22 C21 C20 117.0(5) . .
C22 C21 C24 121.9(5) . .
C20 C21 C24 120.9(5) . .
C24 O8 Nd2 138.6(4) . .
O15 C39 O16 125.3(5) . .
O15 C39 C37 119.2(5) . .
O16 C39 C37 115.5(5) . .
C52 C53 C54 120.1(5) . .
C52 C53 C55 122.5(5) . .
C54 C53 C55 117.4(5) . .
O9 C62 O10 126.7(6) . .
O9 C62 C59 116.7(5) . .
O10 C62 C59 116.5(5) . .
C47 O20 Nd4 112.2(4) . .
C55 O23 Nd3 108.0(4) . .
O11 C31 O12 121.4(5) . .
O11 C31 C29 118.0(5) . .
O12 C31 C29 120.6(5) . .
O11 C31 Nd3 52.0(3) . .
O12 C31 Nd3 69.4(3) . .
C29 C31 Nd3 169.8(4) . .
C13 N3 C17 116.1(5) . .
C13 N3 Ag1 119.9(4) . .
C17 N3 Ag1 122.2(4) . .
C39 O15 Nd1 130.3(4) . .
O21 C48 O22 121.3(5) . .
O21 C48 C45 118.8(5) . .
O22 C48 C45 119.9(5) . .
O21 C48 Nd2 57.1(3) . .
O22 C48 Nd2 64.2(3) . .
C45 C48 Nd2 175.3(4) . .
O23 C55 O24 121.9(6) . .
O23 C55 C53 118.7(5) . .
O24 C55 C53 119.4(6) . .
O23 C55 Nd3 49.2(3) . .
O24 C55 Nd3 72.7(3) . .
C53 C55 Nd3 167.5(4) . .
C11 N2 C7 116.5(5) . .
C11 N2 Ag1 123.2(4) . .
C7 N2 Ag1 119.4(4) . .
C1 N1 C5 116.5(6) . .
C1 N1 Ag1 114.6(4) . .
C5 N1 Ag1 127.5(4) . .
C62 O10 Nd1 164.8(4) . .
C21 C22 C23 119.1(5) . .
C19 N4 C23 117.5(5) . .
C19 N4 Ag1 122.2(4) . .
C23 N4 Ag1 118.9(4) . .
C60 C59 C58 118.2(6) . .
C60 C59 C62 120.1(5) . .
C58 C59 C62 121.7(5) . .
C19 C20 C21 120.1(6) . .
C32 O13 Nd2 166.8(4) . .
C48 O21 Nd2 98.3(3) . .
C62 O9 Nd2 160.4(4) . 7
C31 O11 Nd3 104.0(3) . .
C46 C45 C44 118.9(5) . .
C46 C45 C48 120.3(5) . .
C44 C45 C48 120.8(5) . .
O19 C47 O20 123.1(5) . .
O19 C47 C43 121.5(5) . .
O20 C47 C43 115.4(6) . .
C45 C46 C41 120.5(5) . .
C43 C42 C41 120.8(5) . .
C45 C44 C43 120.7(5) . .
C42 C43 C44 119.5(5) . .
C42 C43 C47 121.4(5) . .
C44 C43 C47 119.1(5) . .
C49 C54 C53 119.8(6) . .
C47 O19 Nd3 178.4(4) . .
C42 C41 C46 119.7(5) . .
C3 C4 C5 118.7(6) . .
N2 C11 C10 123.4(6) . .
N4 C23 C22 123.5(6) . .
C1 C2 C3 120.0(6) . .
C59 C60 C61 118.8(6) . .
N3 C17 C16 123.6(6) . .
N1 C5 C4 123.8(6) . .
N3 C13 C14 124.2(6) . .
C59 C58 C57 118.6(7) . .
N2 C7 C8 123.7(6) . .
N1 C1 C2 123.0(6) . .
N4 C19 C20 122.6(6) . .
C54 C49 C50 120.6(6) . .
C61 N5 C57 116.1(6) . .
N5 C61 C60 124.0(7) . .
N5 C57 C58 124.3(7) . .
O27 O27 Nd3 155.7(15) 2_655 .
C38 C37 C36 118.9(5) . .
C38 C37 C39 120.3(5) . .
C36 C37 C39 120.9(5) . .
C35 C36 C37 121.8(5) . .
C37 C38 C33 119.3(5) . .
C34 C33 C38 121.0(6) . .
C33 C34 C35 119.6(6) . .
C36 C35 C34 119.2(5) . .
C36 C35 C40 121.3(5) . .
C34 C35 C40 119.5(5) . .
O17 C40 O18 123.8(5) . .
O17 C40 C35 119.6(5) . .
O18 C40 C35 116.6(5) . .
C40 O18 Nd4 131.6(4) . 7_565
C40 O17 Nd2 142.0(4) . 7
C28 C29 C30 118.3(5) . .
C28 C29 C31 122.0(5) . .
C30 C29 C31 119.7(5) . .
C27 C28 C29 121.6(5) . .
C25 C30 C29 120.8(6) . .
C28 C27 C26 119.6(5) . .
C28 C27 C32 120.7(5) . .
C26 C27 C32 119.5(5) . .
C30 C25 C26 120.3(5) . .
C27 C26 C25 119.4(5) . .
O14 C32 O13 124.4(6) . .
O14 C32 C27 117.6(5) . .
O13 C32 C27 118.0(5) . .
C32 O14 Nd4 127.2(4) . 1_545
C53 C52 C51 120.4(5) . .
C52 C51 C50 119.2(5) . .
C52 C51 C56 122.2(5) . .
C50 C51 C56 118.6(5) . .
O26 C56 O25 120.3(5) . .
O26 C56 C51 118.9(5) . .
O25 C56 C51 120.8(5) . .
O26 C56 Nd1 56.5(3) . 1_565
O25 C56 Nd1 63.8(3) . 1_565
C51 C56 Nd1 173.4(4) . 1_565
C51 C50 C49 119.8(6) . .
C56 O26 Nd1 98.7(4) . 1_565
C56 O25 Nd2 162.1(3) . 1_565
C56 O25 Nd1 90.3(3) . 1_565
Nd2 O25 Nd1 105.69(13) 1_565 1_565
C24 O7 Nd4 132.2(3) . 1_545
C4 C3 C2 117.9(6) . .
C4 C3 C6 123.5(6) . .
C2 C3 C6 118.5(6) . .
C9 C10 C11 118.9(6) . .
C10 C9 C8 119.0(5) . .
C10 C9 C12 120.9(5) . .
C8 C9 C12 120.1(5) . .
C7 C8 C9 118.5(6) . .
C15 C16 C17 119.5(6) . .
C16 C15 C14 117.9(5) . .
C16 C15 C18 120.0(5) . .
C14 C15 C18 122.1(5) . .
C15 C14 C13 118.5(6) . .
O4 C6 O3 125.6(6) . .
O4 C6 C3 119.3(6) . .
O3 C6 C3 115.1(6) . .
C6 O4 Nd3 124.1(4) . 6
C6 O3 Nd1 158.4(4) . 6
O2 C12 O1 126.6(5) . .
O2 C12 C9 116.7(5) . .
O1 C12 C9 116.7(5) . .
C12 O2 Nd2 172.7(4) . 7_545
C12 O1 Nd1 136.4(4) . 1_545
O5 C18 O6 126.2(6) . .
O5 C18 C15 117.2(6) . .
O6 C18 C15 116.5(5) . .
C18 O6 Nd4 143.4(4) . 8_455
C18 O5 Nd3 134.8(4) . 8_455
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Nd1 O3 2.347(4) 6_556
Nd1 O15 2.360(4) .
Nd1 O1 2.367(4) 1_565
Nd1 O10 2.382(4) .
Nd1 O26 2.475(4) 1_545
Nd1 O22 2.528(4) .
Nd1 O12 2.534(4) .
Nd1 O25 2.633(4) 1_545
Nd1 C56 2.933(6) 1_545
Nd1 Nd2 4.119(2) .
Nd2 O2 2.343(4) 7_545
Nd2 O17 2.372(4) 7
Nd2 O9 2.376(4) 7
Nd2 O13 2.395(4) .
Nd2 O8 2.437(4) .
Nd2 O25 2.534(4) 1_545
Nd2 O21 2.535(4) .
Nd2 O22 2.690(4) .
Nd2 C48 2.987(6) .
Nd3 O16 2.315(4) .
Nd3 O19 2.390(5) .
Nd3 O23 2.417(4) .
Nd3 O5 2.419(4) 8_556
Nd3 O11 2.425(4) .
Nd3 O4 2.481(4) 6_556
Nd3 O27 2.727(9) .
Nd3 O12 2.804(4) .
Nd3 O24 2.919(4) .
Nd3 C31 2.986(6) .
Nd3 C55 3.034(6) .
Nd4 O14 2.371(4) 1_565
Nd4 O18 2.380(4) 7_565
Nd4 O6 2.389(4) 8_556
Nd4 O20 2.391(4) .
Nd4 O24 2.426(4) .
Nd4 O7 2.458(4) 1_565
Nd4 O28 2.476(4) .
Ag1 N2 2.304(5) .
Ag1 N1 2.320(5) .
Ag1 N4 2.341(5) .
Ag1 N3 2.354(5) .
O12 C31 1.265(6) .
O24 C55 1.258(6) .
O16 C39 1.263(6) .
O22 C48 1.272(6) .
C24 O8 1.241(6) .
C24 O7 1.258(6) .
C24 C21 1.513(7) .
C21 C22 1.375(7) .
C21 C20 1.387(7) .
C39 O15 1.254(6) .
C39 C37 1.512(7) .
C53 C52 1.381(7) .
C53 C54 1.389(8) .
C53 C55 1.505(8) .
C62 O9 1.243(6) .
C62 O10 1.249(6) .
C62 C59 1.522(8) .
O20 C47 1.259(6) .
O23 C55 1.233(7) .
C31 O11 1.252(6) .
C31 C29 1.502(7) .
N3 C13 1.329(7) .
N3 C17 1.332(7) .
C48 O21 1.255(6) .
C48 C45 1.484(7) .
N2 C11 1.331(7) .
N2 C7 1.344(7) .
N1 C1 1.323(7) .
N1 C5 1.336(7) .
C22 C23 1.376(7) .
N4 C19 1.312(7) .
N4 C23 1.338(7) .
C59 C60 1.373(7) .
C59 C58 1.377(8) .
C20 C19 1.382(8) .
O13 C32 1.254(6) .
O9 Nd2 2.376(4) 7
C45 C46 1.384(7) .
C45 C44 1.389(7) .
C47 O19 1.249(7) .
C47 C43 1.512(7) .
C46 C41 1.403(7) .
C42 C43 1.371(7) .
C42 C41 1.376(7) .
C44 C43 1.403(7) .
C54 C49 1.369(8) .
C4 C3 1.362(7) .
C4 C5 1.383(8) .
C11 C10 1.385(8) .
C2 C1 1.372(8) .
C2 C3 1.373(8) .
C60 C61 1.388(9) .
C17 C16 1.381(8) .
C13 C14 1.388(7) .
C58 C57 1.384(9) .
C7 C8 1.372(8) .
C49 C50 1.391(8) .
N5 C61 1.328(8) .
N5 C57 1.329(9) .
O27 O27 0.979(14) 2_655
C37 C38 1.382(7) .
C37 C36 1.388(7) .
C36 C35 1.365(7) .
C38 C33 1.385(8) .
C33 C34 1.378(7) .
C34 C35 1.383(7) .
C35 C40 1.502(7) .
C40 O17 1.260(7) .
C40 O18 1.262(6) .
O18 Nd4 2.380(4) 7_565
O17 Nd2 2.372(4) 7
C29 C28 1.383(7) .
C29 C30 1.384(7) .
C28 C27 1.368(7) .
C30 C25 1.364(8) .
C27 C26 1.378(7) .
C27 C32 1.514(7) .
C25 C26 1.393(7) .
C32 O14 1.237(6) .
O14 Nd4 2.371(4) 1_545
C52 C51 1.387(7) .
C51 C50 1.391(7) .
C51 C56 1.499(7) .
C56 O26 1.245(6) .
C56 O25 1.277(6) .
C56 Nd1 2.933(6) 1_565
O26 Nd1 2.475(4) 1_565
O25 Nd2 2.534(4) 1_565
O25 Nd1 2.633(4) 1_565
O7 Nd4 2.458(4) 1_545
C3 C6 1.511(8) .
C10 C9 1.362(7) .
C9 C8 1.377(7) .
C9 C12 1.514(7) .
C16 C15 1.372(8) .
C15 C14 1.376(7) .
C15 C18 1.515(7) .
C6 O4 1.247(7) .
C6 O3 1.249(7) .
O4 Nd3 2.481(4) 6
O3 Nd1 2.347(4) 6
C12 O2 1.231(6) .
C12 O1 1.252(6) .
O2 Nd2 2.343(4) 7_545
O1 Nd1 2.367(4) 1_545
C18 O5 1.244(6) .
C18 O6 1.251(7) .
O6 Nd4 2.389(4) 8_455
O5 Nd3 2.419(4) 8_455
