#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180389 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/58/7205867.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_7205867
loop_
_publ_author_name
'Chen, Min'
'Chen, Man-Sheng'
'Okamura, Taka-aki'
'Lv, Mei-Fang'
'Sun, Wei-Yin'
'Ueyama, Norikazu'
_publ_section_title
;
 A series of silver(i)--lanthanide(iii) heterometallic coordination
 polymers: syntheses, structures and photoluminescent properties
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              3801
_journal_paper_doi               10.1039/c0ce00921k
_journal_volume                  13
_journal_year                    2011
_chemical_formula_moiety         'C20 H14 Ag N6 O10 Yb'
_chemical_formula_sum            'C20 H14 Ag N6 O10 Yb'
_chemical_formula_weight         779.28
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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_date             2011-03-03
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.128(16)
_cell_angle_beta                 92.460(13)
_cell_angle_gamma                109.383(15)
_cell_formula_units_Z            2
_cell_length_a                   7.550(2)
_cell_length_b                   9.951(4)
_cell_length_c                   14.564(5)
_cell_measurement_reflns_used    9707
_cell_measurement_temperature    200
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.12
_cell_volume                     1029.7(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      200
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID II'
_diffrn_measurement_method       ω
_diffrn_radiation_source
;
MicroMax-007HF microfocus rotating anode X-ray generator
;
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0228
_diffrn_reflns_av_sigmaI/netI    0.0250
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9840
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.12
_exptl_absorpt_coefficient_mu    5.544
_exptl_absorpt_correction_T_max  0.6654
_exptl_absorpt_correction_T_min  0.4902
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.513
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             746
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.962
_refine_diff_density_min         -0.989
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.133
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     355
_refine_ls_number_reflns         4685
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.133
_refine_ls_R_factor_all          0.0226
_refine_ls_R_factor_gt           0.0214
_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+1.0502P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0521
_refine_ls_wR_factor_ref         0.0524
_reflns_number_gt                4571
_reflns_number_total             4685
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c0ce00921k.txt
_cod_data_source_block           8
_cod_database_code               7205867
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
Yb1 Yb 0.032274(14) -0.016449(10) 0.217385(7) 0.00887(5) Uani 1 1 d . . .
Ag1 Ag 1.45832(3) 0.51741(3) 0.378359(17) 0.02677(7) Uani 1 1 d . . .
O1 O 0.1150(3) 0.0151(3) 0.37404(14) 0.0232(5) Uani 1 1 d . . .
O2 O 0.3472(3) 0.0731(2) 0.28230(14) 0.0188(4) Uani 1 1 d . . .
O3 O 0.2319(3) 0.0741(3) 0.71306(15) 0.0246(5) Uani 1 1 d . . .
O4 O 0.5113(3) 0.2143(3) 0.77160(15) 0.0242(5) Uani 1 1 d . . .
O5 O 0.0440(3) 0.2251(2) 0.22179(14) 0.0176(4) Uani 1 1 d . . .
O6 O 0.1722(3) 0.1512(2) 0.10640(14) 0.0199(4) Uani 1 1 d . . .
O7 O 0.0356(3) 0.7413(2) 0.22480(13) 0.0145(4) Uani 1 1 d . . .
O8 O 0.1640(3) 0.8687(2) 0.11033(14) 0.0152(4) Uani 1 1 d . . .
O9 O -0.1914(3) -0.0792(3) 0.09390(16) 0.0251(5) Uani 1 1 d D . .
H11 H -0.283(4) -0.056(4) 0.100(3) 0.030 Uiso 1 1 d D . .
H12 H -0.163(6) -0.074(5) 0.0411(14) 0.030 Uiso 1 1 d D . .
O10 O 0.5440(4) 0.0458(3) 0.1082(2) 0.0358(6) Uani 1 1 d D . .
H13 H 0.451(5) -0.004(4) 0.074(3) 0.043 Uiso 1 1 d D . .
H14 H 0.525(7) 0.076(5) 0.1614(19) 0.043 Uiso 1 1 d D . .
N11 N 0.9315(3) 0.3053(2) 0.50374(15) 0.0122(4) Uani 1 1 d . . .
N12 N 1.2043(3) 0.4069(3) 0.44679(16) 0.0153(4) Uani 1 1 d . . .
N13 N 1.2335(3) 0.4030(3) 0.54081(17) 0.0168(5) Uani 1 1 d . . .
N111 N 0.3191(3) 0.5453(2) -0.11634(16) 0.0141(4) Uani 1 1 d . . .
N113 N 0.3270(4) 0.6140(3) -0.25843(19) 0.0249(6) Uani 1 1 d . . .
N112 N 0.3980(4) 0.5017(3) -0.25326(17) 0.0209(5) Uani 1 1 d . . .
C1 C 0.7323(3) 0.2422(3) 0.51219(18) 0.0114(5) Uani 1 1 d . . .
C2 C 0.6131(4) 0.1901(3) 0.43458(18) 0.0127(5) Uani 1 1 d . . .
H1 H 0.6614 0.1963 0.3751 0.015 Uiso 1 1 calc R . .
C3 C 0.4209(4) 0.1283(3) 0.44525(18) 0.0123(5) Uani 1 1 d . . .
C4 C 0.3496(4) 0.1158(3) 0.53254(18) 0.0121(5) Uani 1 1 d . . .
H2 H 0.2186 0.0716 0.5390 0.015 Uiso 1 1 calc R . .
C5 C 0.4706(4) 0.1680(3) 0.61009(18) 0.0118(5) Uani 1 1 d . . .
C6 C 0.6631(4) 0.2336(3) 0.59988(18) 0.0117(5) Uani 1 1 d . . .
H3 H 0.7462 0.2720 0.6524 0.014 Uiso 1 1 calc R . .
C11 C 1.0243(4) 0.3477(3) 0.42624(19) 0.0170(5) Uani 1 1 d . . .
H4 H 0.9665 0.3359 0.3659 0.020 Uiso 1 1 calc R . .
C12 C 1.0691(4) 0.3415(3) 0.57300(19) 0.0171(5) Uani 1 1 d . . .
H5 H 1.0481 0.3243 0.6360 0.020 Uiso 1 1 calc R . .
C31 C 0.2883(4) 0.0690(3) 0.36250(18) 0.0128(5) Uani 1 1 d . . .
C51 C 0.4011(4) 0.1525(3) 0.70675(19) 0.0148(5) Uani 1 1 d . . .
C101 C 0.2693(4) 0.5321(3) -0.02340(18) 0.0128(5) Uani 1 1 d . . .
C102 C 0.2371(4) 0.4039(3) 0.01829(19) 0.0131(5) Uani 1 1 d . . .
H6 H 0.2578 0.3258 -0.0134 0.016 Uiso 1 1 calc R . .
C103 C 0.1742(4) 0.3906(3) 0.10706(18) 0.0119(5) Uani 1 1 d . . .
C104 C 0.1405(4) 0.5042(3) 0.15341(18) 0.0121(5) Uani 1 1 d . . .
H7 H 0.0969 0.4946 0.2139 0.015 Uiso 1 1 calc R . .
C105 C 0.1716(4) 0.6320(3) 0.10999(18) 0.0115(5) Uani 1 1 d . . .
C106 C 0.2405(4) 0.6471(3) 0.02279(18) 0.0131(5) Uani 1 1 d . . .
H8 H 0.2679 0.7359 -0.0052 0.016 Uiso 1 1 calc R . .
C111 C 0.2826(4) 0.6371(3) -0.1760(2) 0.0205(6) Uani 1 1 d . . .
H9 H 0.2310 0.7088 -0.1590 0.025 Uiso 1 1 calc R . .
C112 C 0.3894(4) 0.4617(3) -0.16972(19) 0.0164(5) Uani 1 1 d . . .
H10 H 0.4264 0.3852 -0.1486 0.020 Uiso 1 1 calc R . .
C131 C 0.1294(4) 0.2479(3) 0.14783(19) 0.0135(5) Uani 1 1 d . . .
C151 C 0.1232(4) 0.7544(3) 0.15210(18) 0.0112(5) 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'
Ag Ag -0.8971 1.1015 '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'
Yb Yb -0.3850 5.5486 '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
_geom_angle_publ_flag
O3 Yb1 O1 73.80(8) 2_556 . ?
O3 Yb1 O9 77.85(9) 2_556 . ?
O1 Yb1 O9 151.65(8) . . ?
O3 Yb1 O8 135.30(8) 2_556 1_545 ?
O1 Yb1 O8 124.80(8) . 1_545 ?
O9 Yb1 O8 76.70(8) . 1_545 ?
O3 Yb1 O5 89.66(8) 2_556 . ?
O1 Yb1 O5 87.57(8) . . ?
O9 Yb1 O5 92.36(8) . . ?
O8 Yb1 O5 127.36(7) 1_545 . ?
O3 Yb1 O2 129.09(8) 2_556 . ?
O1 Yb1 O2 55.36(7) . . ?
O9 Yb1 O2 152.94(8) . . ?
O8 Yb1 O2 82.88(7) 1_545 . ?
O5 Yb1 O2 86.02(8) . . ?
O3 Yb1 O6 134.79(8) 2_556 . ?
O1 Yb1 O6 124.59(8) . . ?
O9 Yb1 O6 76.76(9) . . ?
O8 Yb1 O6 72.45(7) 1_545 . ?
O5 Yb1 O6 54.96(7) . . ?
O2 Yb1 O6 80.30(8) . . ?
O3 Yb1 O7 90.52(8) 2_556 1_545 ?
O1 Yb1 O7 87.96(8) . 1_545 ?
O9 Yb1 O7 92.28(8) . 1_545 ?
O8 Yb1 O7 54.74(7) 1_545 1_545 ?
O5 Yb1 O7 175.29(7) . 1_545 ?
O2 Yb1 O7 90.21(7) . 1_545 ?
O6 Yb1 O7 127.13(7) . 1_545 ?
O3 Yb1 C31 101.28(9) 2_556 . ?
O1 Yb1 C31 27.63(8) . . ?
O9 Yb1 C31 177.07(8) . . ?
O8 Yb1 C31 105.67(8) 1_545 . ?
O5 Yb1 C31 84.82(8) . . ?
O2 Yb1 C31 27.81(8) . . ?
O6 Yb1 C31 102.19(8) . . ?
O7 Yb1 C31 90.52(7) 1_545 . ?
O3 Yb1 C131 113.19(9) 2_556 . ?
O1 Yb1 C131 107.49(9) . . ?
O9 Yb1 C131 83.67(9) . . ?
O8 Yb1 C131 99.77(8) 1_545 . ?
O5 Yb1 C131 27.63(8) . . ?
O2 Yb1 C131 82.49(8) . . ?
O6 Yb1 C131 27.33(8) . . ?
O7 Yb1 C131 154.30(7) 1_545 . ?
C31 Yb1 C131 94.16(8) . . ?
O3 Yb1 C151 114.11(9) 2_556 1_545 ?
O1 Yb1 C151 107.30(8) . 1_545 ?
O9 Yb1 C151 84.17(8) . 1_545 ?
O8 Yb1 C151 27.36(7) 1_545 1_545 ?
O5 Yb1 C151 154.45(8) . 1_545 ?
O2 Yb1 C151 85.78(8) . 1_545 ?
O6 Yb1 C151 99.77(8) . 1_545 ?
O7 Yb1 C151 27.38(7) 1_545 1_545 ?
C31 Yb1 C151 98.73(8) . 1_545 ?
C131 Yb1 C151 127.04(8) . 1_545 ?
N12 Ag1 N112 140.42(10) . 2_765 ?
N12 Ag1 N13 121.90(9) . 2_866 ?
N112 Ag1 N13 86.99(9) 2_765 2_866 ?
C31 O1 Yb1 93.67(17) . . ?
C31 O2 Yb1 90.68(16) . . ?
C51 O3 Yb1 151.0(2) . 2_556 ?
C131 O5 Yb1 92.09(16) . . ?
C131 O6 Yb1 91.94(17) . . ?
C151 O7 Yb1 90.36(15) . 1_565 ?
C151 O8 Yb1 94.22(16) . 1_565 ?
Yb1 O9 H11 116(3) . . ?
Yb1 O9 H12 122(3) . . ?
H11 O9 H12 111(4) . . ?
H13 O10 H14 119(5) . . ?
C11 N11 C12 104.6(2) . . ?
C11 N11 C1 128.1(2) . . ?
C12 N11 C1 127.2(2) . . ?
C11 N12 N13 107.7(2) . . ?
C11 N12 Ag1 138.6(2) . . ?
N13 N12 Ag1 113.56(17) . . ?
C12 N13 N12 106.8(2) . . ?
C12 N13 Ag1 128.98(19) . 2_866 ?
N12 N13 Ag1 124.08(17) . 2_866 ?
C112 N111 C111 104.2(2) . . ?
C112 N111 C101 129.4(2) . . ?
C111 N111 C101 125.9(2) . . ?
C111 N113 N112 105.7(2) . . ?
C112 N112 N113 108.5(2) . . ?
C112 N112 Ag1 139.4(2) . 2_765 ?
N113 N112 Ag1 110.21(18) . 2_765 ?
C2 C1 C6 121.1(2) . . ?
C2 C1 N11 120.2(2) . . ?
C6 C1 N11 118.6(2) . . ?
C1 C2 C3 118.8(2) . . ?
C1 C2 H1 120.6 . . ?
C3 C2 H1 120.6 . . ?
C2 C3 C4 120.9(2) . . ?
C2 C3 C31 120.0(2) . . ?
C4 C3 C31 119.0(2) . . ?
C5 C4 C3 119.9(2) . . ?
C5 C4 H2 120.1 . . ?
C3 C4 H2 120.1 . . ?
C4 C5 C6 119.6(2) . . ?
C4 C5 C51 121.9(2) . . ?
C6 C5 C51 118.4(2) . . ?
C1 C6 C5 119.7(2) . . ?
C1 C6 H3 120.2 . . ?
C5 C6 H3 120.2 . . ?
N12 C11 N11 110.2(2) . . ?
N12 C11 H4 124.9 . . ?
N11 C11 H4 124.9 . . ?
N13 C12 N11 110.7(2) . . ?
N13 C12 H5 124.7 . . ?
N11 C12 H5 124.7 . . ?
O1 C31 O2 119.9(3) . . ?
O1 C31 C3 118.7(2) . . ?
O2 C31 C3 121.3(2) . . ?
O1 C31 Yb1 58.70(14) . . ?
O2 C31 Yb1 61.51(14) . . ?
C3 C31 Yb1 173.92(18) . . ?
O4 C51 O3 125.6(3) . . ?
O4 C51 C5 118.5(2) . . ?
O3 C51 C5 115.9(2) . . ?
C102 C101 C106 120.6(3) . . ?
C102 C101 N111 120.6(2) . . ?
C106 C101 N111 118.6(2) . . ?
C101 C102 C103 119.4(2) . . ?
C101 C102 H6 120.3 . . ?
C103 C102 H6 120.3 . . ?
C102 C103 C104 120.5(2) . . ?
C102 C103 C131 118.0(2) . . ?
C104 C103 C131 121.2(2) . . ?
C105 C104 C103 119.2(2) . . ?
C105 C104 H7 120.4 . . ?
C103 C104 H7 120.4 . . ?
C106 C105 C104 120.3(2) . . ?
C106 C105 C151 117.4(2) . . ?
C104 C105 C151 122.3(2) . . ?
C105 C106 C101 119.8(2) . . ?
C105 C106 H8 120.1 . . ?
C101 C106 H8 120.1 . . ?
N113 C111 N111 111.6(3) . . ?
N113 C111 H9 124.2 . . ?
N111 C111 H9 124.2 . . ?
N112 C112 N111 109.9(3) . . ?
N112 C112 H10 125.0 . . ?
N111 C112 H10 125.0 . . ?
O6 C131 O5 121.0(2) . . ?
O6 C131 C103 119.1(2) . . ?
O5 C131 C103 119.8(2) . . ?
O6 C131 Yb1 60.73(14) . . ?
O5 C131 Yb1 60.28(14) . . ?
C103 C131 Yb1 177.35(19) . . ?
O7 C151 O8 120.7(2) . . ?
O7 C151 C105 121.0(2) . . ?
O8 C151 C105 118.3(2) . . ?
O7 C151 Yb1 62.25(13) . 1_565 ?
O8 C151 Yb1 58.42(13) . 1_565 ?
C105 C151 Yb1 176.18(18) . 1_565 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Yb1 O3 2.189(2) 2_556 ?
Yb1 O1 2.321(2) . ?
Yb1 O9 2.331(2) . ?
Yb1 O8 2.341(2) 1_545 ?
Yb1 O5 2.374(2) . ?
Yb1 O2 2.383(2) . ?
Yb1 O6 2.385(2) . ?
Yb1 O7 2.426(2) 1_545 ?
Yb1 C31 2.711(3) . ?
Yb1 C131 2.732(3) . ?
Yb1 C151 2.741(3) 1_545 ?
Ag1 N12 2.174(2) . ?
Ag1 N112 2.194(3) 2_765 ?
Ag1 N13 2.429(3) 2_866 ?
O1 C31 1.260(3) . ?
O2 C31 1.265(3) . ?
O3 C51 1.266(4) . ?
O3 Yb1 2.189(2) 2_556 ?
O4 C51 1.230(4) . ?
O5 C131 1.268(3) . ?
O6 C131 1.255(3) . ?
O7 C151 1.261(3) . ?
O7 Yb1 2.426(2) 1_565 ?
O8 C151 1.263(3) . ?
O8 Yb1 2.341(2) 1_565 ?
O9 H11 0.808(15) . ?
O9 H12 0.806(15) . ?
O10 H13 0.843(19) . ?
O10 H14 0.858(19) . ?
N11 C11 1.360(3) . ?
N11 C12 1.364(4) . ?
N11 C1 1.437(3) . ?
N12 C11 1.305(4) . ?
N12 N13 1.382(3) . ?
N13 C12 1.305(4) . ?
N13 Ag1 2.429(3) 2_866 ?
N111 C112 1.363(4) . ?
N111 C111 1.368(4) . ?
N111 C101 1.420(3) . ?
N113 C111 1.293(4) . ?
N113 N112 1.394(4) . ?
N112 C112 1.292(4) . ?
N112 Ag1 2.194(3) 2_765 ?
C1 C2 1.385(4) . ?
C1 C6 1.395(4) . ?
C2 C3 1.394(4) . ?
C2 H1 0.9500 . ?
C3 C4 1.396(4) . ?
C3 C31 1.501(4) . ?
C4 C5 1.391(4) . ?
C4 H2 0.9500 . ?
C5 C6 1.398(4) . ?
C5 C51 1.519(4) . ?
C6 H3 0.9500 . ?
C11 H4 0.9500 . ?
C12 H5 0.9500 . ?
C101 C102 1.385(4) . ?
C101 C106 1.389(4) . ?
C102 C103 1.392(4) . ?
C102 H6 0.9500 . ?
C103 C104 1.395(4) . ?
C103 C131 1.498(4) . ?
C104 C105 1.395(4) . ?
C104 H7 0.9500 . ?
C105 C106 1.387(4) . ?
C105 C151 1.500(3) . ?
C106 H8 0.9500 . ?
C111 H9 0.9500 . ?
C112 H10 0.9500 . ?
C151 Yb1 2.741(3) 1_565 ?
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
_geom_torsion_publ_flag
O3 Yb1 O1 C31 -173.82(19) 2_556 . . . ?
O9 Yb1 O1 C31 -173.94(17) . . . . ?
O8 Yb1 O1 C31 51.8(2) 1_545 . . . ?
O5 Yb1 O1 C31 -83.47(18) . . . . ?
O2 Yb1 O1 C31 3.37(16) . . . . ?
O6 Yb1 O1 C31 -40.1(2) . . . . ?
O7 Yb1 O1 C31 95.04(18) 1_545 . . . ?
C131 Yb1 O1 C31 -64.04(18) . . . . ?
C151 Yb1 O1 C31 75.38(18) 1_545 . . . ?
O3 Yb1 O2 C31 0.1(2) 2_556 . . . ?
O1 Yb1 O2 C31 -3.35(16) . . . . ?
O9 Yb1 O2 C31 173.84(17) . . . . ?
O8 Yb1 O2 C31 -145.11(17) 1_545 . . . ?
O5 Yb1 O2 C31 86.45(16) . . . . ?
O6 Yb1 O2 C31 141.56(17) . . . . ?
O7 Yb1 O2 C31 -90.72(16) 1_545 . . . ?
C131 Yb1 O2 C31 114.00(17) . . . . ?
C151 Yb1 O2 C31 -117.76(17) 1_545 . . . ?
O3 Yb1 O5 C131 -149.36(17) 2_556 . . . ?
O1 Yb1 O5 C131 136.84(17) . . . . ?
O9 Yb1 O5 C131 -71.54(17) . . . . ?
O8 Yb1 O5 C131 3.5(2) 1_545 . . . ?
O2 Yb1 O5 C131 81.41(17) . . . . ?
O6 Yb1 O5 C131 0.47(15) . . . . ?
C31 Yb1 O5 C131 109.28(17) . . . . ?
C151 Yb1 O5 C131 9.9(3) 1_545 . . . ?
O3 Yb1 O6 C131 44.6(2) 2_556 . . . ?
O1 Yb1 O6 C131 -57.35(19) . . . . ?
O9 Yb1 O6 C131 102.04(18) . . . . ?
O8 Yb1 O6 C131 -177.95(18) 1_545 . . . ?
O5 Yb1 O6 C131 -0.47(15) . . . . ?
O2 Yb1 O6 C131 -92.41(17) . . . . ?
O7 Yb1 O6 C131 -175.24(15) 1_545 . . . ?
C31 Yb1 O6 C131 -75.15(17) . . . . ?
C151 Yb1 O6 C131 -176.38(16) 1_545 . . . ?
N112 Ag1 N12 C11 -46.5(4) 2_765 . . . ?
N13 Ag1 N12 C11 -177.5(3) 2_866 . . . ?
N112 Ag1 N12 N13 138.50(18) 2_765 . . . ?
N13 Ag1 N12 N13 7.5(3) 2_866 . . . ?
C11 N12 N13 C12 -0.1(3) . . . . ?
Ag1 N12 N13 C12 176.45(19) . . . . ?
C11 N12 N13 Ag1 175.80(19) . . . 2_866 ?
Ag1 N12 N13 Ag1 -7.7(3) . . . 2_866 ?
C111 N113 N112 C112 1.2(4) . . . . ?
C111 N113 N112 Ag1 -166.5(2) . . . 2_765 ?
C11 N11 C1 C2 13.8(4) . . . . ?
C12 N11 C1 C2 -169.3(3) . . . . ?
C11 N11 C1 C6 -166.9(3) . . . . ?
C12 N11 C1 C6 10.0(4) . . . . ?
C6 C1 C2 C3 0.0(4) . . . . ?
N11 C1 C2 C3 179.3(2) . . . . ?
C1 C2 C3 C4 -1.5(4) . . . . ?
C1 C2 C3 C31 -179.2(2) . . . . ?
C2 C3 C4 C5 1.3(4) . . . . ?
C31 C3 C4 C5 179.0(2) . . . . ?
C3 C4 C5 C6 0.4(4) . . . . ?
C3 C4 C5 C51 -177.9(2) . . . . ?
C2 C1 C6 C5 1.6(4) . . . . ?
N11 C1 C6 C5 -177.7(2) . . . . ?
C4 C5 C6 C1 -1.8(4) . . . . ?
C51 C5 C6 C1 176.5(2) . . . . ?
N13 N12 C11 N11 0.5(3) . . . . ?
Ag1 N12 C11 N11 -174.6(2) . . . . ?
C12 N11 C11 N12 -0.8(3) . . . . ?
C1 N11 C11 N12 176.7(2) . . . . ?
N12 N13 C12 N11 -0.4(3) . . . . ?
Ag1 N13 C12 N11 -176.02(18) 2_866 . . . ?
C11 N11 C12 N13 0.7(3) . . . . ?
C1 N11 C12 N13 -176.7(2) . . . . ?
Yb1 O1 C31 O2 -6.0(3) . . . . ?
Yb1 O1 C31 C3 173.6(2) . . . . ?
Yb1 O2 C31 O1 5.9(3) . . . . ?
Yb1 O2 C31 C3 -173.8(2) . . . . ?
C2 C3 C31 O1 -179.3(3) . . . . ?
C4 C3 C31 O1 3.0(4) . . . . ?
C2 C3 C31 O2 0.4(4) . . . . ?
C4 C3 C31 O2 -177.3(2) . . . . ?
O3 Yb1 C31 O1 6.05(19) 2_556 . . . ?
O8 Yb1 C31 O1 -137.93(17) 1_545 . . . ?
O5 Yb1 C31 O1 94.67(18) . . . . ?
O2 Yb1 C31 O1 -174.1(3) . . . . ?
O6 Yb1 C31 O1 147.13(17) . . . . ?
O7 Yb1 C31 O1 -84.59(18) 1_545 . . . ?
C131 Yb1 C31 O1 120.70(18) . . . . ?
C151 Yb1 C31 O1 -110.82(18) 1_545 . . . ?
O3 Yb1 C31 O2 -179.90(16) 2_556 . . . ?
O1 Yb1 C31 O2 174.1(3) . . . . ?
O8 Yb1 C31 O2 36.12(17) 1_545 . . . ?
O5 Yb1 C31 O2 -91.28(16) . . . . ?
O6 Yb1 C31 O2 -38.82(17) . . . . ?
O7 Yb1 C31 O2 89.46(16) 1_545 . . . ?
C131 Yb1 C31 O2 -65.24(17) . . . . ?
C151 Yb1 C31 O2 63.23(17) 1_545 . . . ?
Yb1 O3 C51 O4 29.8(6) 2_556 . . . ?
Yb1 O3 C51 C5 -151.1(3) 2_556 . . . ?
C4 C5 C51 O4 -172.3(3) . . . . ?
C6 C5 C51 O4 9.5(4) . . . . ?
C4 C5 C51 O3 8.5(4) . . . . ?
C6 C5 C51 O3 -169.7(3) . . . . ?
C112 N111 C101 C102 -18.7(4) . . . . ?
C111 N111 C101 C102 152.0(3) . . . . ?
C112 N111 C101 C106 165.7(3) . . . . ?
C111 N111 C101 C106 -23.5(4) . . . . ?
C106 C101 C102 C103 0.4(4) . . . . ?
N111 C101 C102 C103 -175.0(2) . . . . ?
C101 C102 C103 C104 1.1(4) . . . . ?
C101 C102 C103 C131 176.3(2) . . . . ?
C102 C103 C104 C105 -0.4(4) . . . . ?
C131 C103 C104 C105 -175.4(2) . . . . ?
C103 C104 C105 C106 -1.9(4) . . . . ?
C103 C104 C105 C151 174.7(2) . . . . ?
C104 C105 C106 C101 3.4(4) . . . . ?
C151 C105 C106 C101 -173.4(2) . . . . ?
C102 C101 C106 C105 -2.7(4) . . . . ?
N111 C101 C106 C105 172.9(2) . . . . ?
N112 N113 C111 N111 -0.4(4) . . . . ?
C112 N111 C111 N113 -0.5(4) . . . . ?
C101 N111 C111 N113 -173.1(3) . . . . ?
N113 N112 C112 N111 -1.6(3) . . . . ?
Ag1 N112 C112 N111 160.5(2) 2_765 . . . ?
C111 N111 C112 N112 1.3(3) . . . . ?
C101 N111 C112 N112 173.6(3) . . . . ?
Yb1 O6 C131 O5 0.8(3) . . . . ?
Yb1 O6 C131 C103 -177.0(2) . . . . ?
Yb1 O5 C131 O6 -0.8(3) . . . . ?
Yb1 O5 C131 C103 176.9(2) . . . . ?
C102 C103 C131 O6 9.1(4) . . . . ?
C104 C103 C131 O6 -175.8(3) . . . . ?
C102 C103 C131 O5 -168.8(3) . . . . ?
C104 C103 C131 O5 6.4(4) . . . . ?
O3 Yb1 C131 O6 -147.16(16) 2_556 . . . ?
O1 Yb1 C131 O6 133.39(17) . . . . ?
O9 Yb1 C131 O6 -73.30(17) . . . . ?
O8 Yb1 C131 O6 1.98(18) 1_545 . . . ?
O5 Yb1 C131 O6 179.2(3) . . . . ?
O2 Yb1 C131 O6 83.38(17) . . . . ?
O7 Yb1 C131 O6 8.8(3) 1_545 . . . ?
C31 Yb1 C131 O6 108.68(17) . . . . ?
C151 Yb1 C131 O6 4.5(2) 1_545 . . . ?
O3 Yb1 C131 O5 33.67(18) 2_556 . . . ?
O1 Yb1 C131 O5 -45.77(18) . . . . ?
O9 Yb1 C131 O5 107.53(17) . . . . ?
O8 Yb1 C131 O5 -177.18(16) 1_545 . . . ?
O2 Yb1 C131 O5 -95.78(17) . . . . ?
O6 Yb1 C131 O5 -179.2(3) . . . . ?
O7 Yb1 C131 O5 -170.40(15) 1_545 . . . ?
C31 Yb1 C131 O5 -70.48(17) . . . . ?
C151 Yb1 C131 O5 -174.69(15) 1_545 . . . ?
Yb1 O7 C151 O8 -1.3(3) 1_565 . . . ?
Yb1 O7 C151 C105 -177.6(2) 1_565 . . . ?
Yb1 O8 C151 O7 1.3(3) 1_565 . . . ?
Yb1 O8 C151 C105 177.77(19) 1_565 . . . ?
C106 C105 C151 O7 169.9(2) . . . . ?
C104 C105 C151 O7 -6.9(4) . . . . ?
C106 C105 C151 O8 -6.6(4) . . . . ?
C104 C105 C151 O8 176.7(2) . . . . ?
