#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:01:27 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179609 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/73/4507341.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_4507341
loop_
_publ_author_name
'Xu, Hai-Bing'
'Deng, Jian-Guo'
'Zhang, Li-Yi'
'Chen, Zhong-Ning'
_publ_section_title
;
 Structural and Photophysical Studies on Geometric (Er2Yb2/Yb2Er2) and
 Configurational (EuTb3/Eu3Tb) Isomers of Heterotetranuclear
 Lanthanide(III) Complexes
;
_journal_issue                   2
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              849
_journal_paper_doi               10.1021/cg3015546
_journal_volume                  13
_journal_year                    2013
_chemical_formula_sum            'C74 H44 Er2 F24 N6 O17 Yb2'
_chemical_formula_weight         2425.76
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 100.718(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.1738(8)
_cell_length_b                   24.5677(11)
_cell_length_c                   13.2235(7)
_cell_measurement_reflns_used    8127
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.0232
_cell_measurement_theta_min      2.9433
_cell_volume                     4205.1(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_method       CCD_Profile_fitting
_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  0.0278
_diffrn_reflns_av_sigmaI/netI    0.0256
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            27335
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.94
_diffrn_standards_number         7397
_exptl_absorpt_coefficient_mu    4.299
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6489
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.925
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2312
_exptl_crystal_size_max          0.84
_exptl_crystal_size_mid          0.72
_exptl_crystal_size_min          0.56
_refine_diff_density_max         1.907
_refine_diff_density_min         -1.003
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     676
_refine_ls_number_reflns         7148
_refine_ls_number_restraints     372
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0421
_refine_ls_R_factor_gt           0.0379
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0599P)²+13.6901P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1020
_refine_ls_wR_factor_ref         0.1070
_reflns_number_gt                6484
_reflns_number_total             7148
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg3015546_si_002.cif
_cod_data_source_block           x
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4507341
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Er1 Er 0.982914(18) 0.102209(9) 0.36084(2) 0.03639(11) Uani 1 1 d . . .
Yb1 Yb 0.921572(18) 0.028366(9) 0.59280(2) 0.03900(11) Uani 1 1 d . . .
O1 O 1.1175(3) 0.04951(16) 0.3207(3) 0.0445(9) Uani 1 1 d . . .
O2 O 0.9292(3) 0.01533(16) 0.3155(3) 0.0460(10) Uani 1 1 d . . .
O3 O 0.8632(3) 0.09516(16) 0.4714(4) 0.0468(10) Uani 1 1 d . . .
O4 O 1.0476(3) 0.04925(14) 0.4999(3) 0.0345(8) Uani 1 1 d . . .
O5 O 0.9387(3) 0.19336(16) 0.3695(4) 0.0489(10) Uani 1 1 d . . .
O6 O 1.1332(3) 0.14893(16) 0.4424(4) 0.0480(10) Uani 1 1 d . . .
O7 O 0.9982(4) 0.10684(18) 0.6737(4) 0.0585(12) Uani 1 1 d . . .
O8 O 0.8014(4) 0.07026(19) 0.6760(4) 0.0629(13) Uani 1 1 d . . .
N1 N 1.0558(4) 0.1407(2) 0.2142(4) 0.0528(13) Uani 1 1 d . . .
N2 N 0.8224(5) 0.1027(2) 0.2310(5) 0.0555(14) Uani 1 1 d . . .
N3 N 0.7511(4) 0.0055(2) 0.4861(4) 0.0439(11) Uani 1 1 d . . .
C1 C 1.0250(7) 0.1858(3) 0.1603(6) 0.071(2) Uani 1 1 d . . .
H1A H 0.9655 0.2033 0.1717 0.085 Uiso 1 1 calc R . .
C2 C 1.0781(8) 0.2077(4) 0.0876(7) 0.090(3) Uani 1 1 d . . .
H2A H 1.0536 0.2389 0.0510 0.108 Uiso 1 1 calc R . .
C3 C 1.1632(8) 0.1837(4) 0.0714(8) 0.096(3) Uani 1 1 d . . .
H3A H 1.1994 0.1988 0.0241 0.115 Uiso 1 1 calc R . .
C4 C 1.2010(7) 0.1353(4) 0.1248(6) 0.074(2) Uani 1 1 d . . .
C5 C 1.2900(8) 0.1069(4) 0.1102(9) 0.097(4) Uani 1 1 d . . .
H5A H 1.3291 0.1196 0.0633 0.116 Uiso 1 1 calc R . .
C6 C 1.3178(7) 0.0618(5) 0.1639(9) 0.096(3) Uani 1 1 d . . .
H6A H 1.3766 0.0433 0.1535 0.115 Uiso 1 1 calc R . .
C7 C 1.2607(6) 0.0408(3) 0.2368(7) 0.068(2) Uani 1 1 d . . .
H7A H 1.2829 0.0093 0.2734 0.082 Uiso 1 1 calc R . .
C8 C 1.1744(5) 0.0665(3) 0.2528(5) 0.0489(14) Uani 1 1 d . . .
C9 C 1.1430(5) 0.1152(3) 0.1970(5) 0.0521(15) Uani 1 1 d . . .
C10 C 0.7682(6) 0.1459(4) 0.1905(7) 0.076(2) Uani 1 1 d . . .
H10B H 0.7962 0.1803 0.2056 0.091 Uiso 1 1 calc R . .
C11 C 0.6720(7) 0.1419(4) 0.1268(8) 0.086(3) Uani 1 1 d . . .
H11A H 0.6381 0.1731 0.0986 0.103 Uiso 1 1 calc R . .
C12 C 0.6278(7) 0.0928(4) 0.1060(8) 0.088(3) Uani 1 1 d . . .
H12A H 0.5628 0.0902 0.0645 0.106 Uiso 1 1 calc R . .
C13 C 0.6800(6) 0.0451(4) 0.1469(7) 0.070(2) Uani 1 1 d . . .
C14 C 0.6387(8) -0.0080(4) 0.1316(8) 0.093(3) Uani 1 1 d . . .
H14A H 0.5743 -0.0136 0.0904 0.112 Uiso 1 1 calc R . .
C15 C 0.6941(8) -0.0505(4) 0.1775(8) 0.091(3) Uani 1 1 d . . .
H15A H 0.6660 -0.0853 0.1671 0.109 Uiso 1 1 calc R . .
C16 C 0.7912(6) -0.0449(3) 0.2397(7) 0.068(2) Uani 1 1 d . . .
H16A H 0.8258 -0.0755 0.2699 0.082 Uiso 1 1 calc R . .
C17 C 0.8368(5) 0.0062(3) 0.2570(5) 0.0497(15) Uani 1 1 d . . .
C18 C 0.7787(5) 0.0523(3) 0.2100(5) 0.0527(15) Uani 1 1 d . . .
C19 C 0.6988(5) -0.0405(3) 0.4811(6) 0.0556(17) Uani 1 1 d . . .
H19A H 0.7324 -0.0712 0.5120 0.067 Uiso 1 1 calc R . .
C20 C 0.5958(6) -0.0457(4) 0.4319(7) 0.073(2) Uani 1 1 d . . .
H20A H 0.5636 -0.0795 0.4249 0.088 Uiso 1 1 calc R . .
C21 C 0.5437(6) 0.0003(4) 0.3945(8) 0.078(2) Uani 1 1 d . . .
H21A H 0.4744 -0.0020 0.3636 0.094 Uiso 1 1 calc R . .
C22 C 0.5935(5) 0.0509(3) 0.4023(7) 0.067(2) Uani 1 1 d . . .
C23 C 0.5447(6) 0.1012(4) 0.3724(9) 0.092(3) Uani 1 1 d . . .
H23A H 0.4740 0.1024 0.3468 0.110 Uiso 1 1 calc R . .
C24 C 0.6010(7) 0.1477(4) 0.3811(9) 0.096(4) Uani 1 1 d . . .
H24A H 0.5679 0.1806 0.3630 0.115 Uiso 1 1 calc R . .
C25 C 0.7087(6) 0.1472(3) 0.4168(7) 0.073(2) Uani 1 1 d . . .
H25A H 0.7452 0.1798 0.4219 0.088 Uiso 1 1 calc R . .
C26 C 0.7603(5) 0.0996(3) 0.4440(6) 0.0526(17) Uani 1 1 d . . .
C27 C 0.7005(5) 0.0514(3) 0.4433(6) 0.0508(15) Uani 1 1 d . . .
C101 C 0.9249(5) 0.2881(3) 0.3706(6) 0.068(2) Uani 1 1 d D . .
F1 F 0.8731(12) 0.2915(6) 0.4471(11) 0.121(5) Uani 0.50 1 d PDU A 2
F2 F 0.9770(11) 0.3332(5) 0.3715(13) 0.102(5) Uani 0.50 1 d PDU A 2
F3 F 0.8548(12) 0.2864(5) 0.2866(11) 0.118(5) Uani 0.50 1 d PDU A 2
F1A F 0.8293(7) 0.2823(5) 0.3819(15) 0.105(4) Uani 0.50 1 d PDU A 1
F2A F 0.9629(12) 0.3293(5) 0.4298(11) 0.109(5) Uani 0.50 1 d PDU A 1
F3A F 0.9208(13) 0.3066(6) 0.2754(8) 0.118(4) Uani 0.50 1 d PDU A 1
C102 C 0.9900(5) 0.2365(2) 0.3886(5) 0.0460(14) Uani 1 1 d . A .
C103 C 1.0939(5) 0.2421(2) 0.4175(5) 0.0492(15) Uani 1 1 d . . .
H10A H 1.1226 0.2767 0.4200 0.059 Uiso 1 1 calc R A .
C104 C 1.1588(5) 0.1978(3) 0.4435(5) 0.0512(15) Uani 1 1 d . A .
C105 C 1.2737(6) 0.2078(3) 0.4768(7) 0.083(3) Uani 1 1 d D . .
F4 F 1.2931(14) 0.2520(5) 0.5346(15) 0.128(7) Uani 0.50 1 d PDU A 2
F5 F 1.3178(13) 0.2151(10) 0.3969(11) 0.151(7) Uani 0.50 1 d PDU A 2
F6 F 1.3256(12) 0.1701(5) 0.5337(15) 0.131(8) Uani 0.50 1 d PDU A 2
F4A F 1.3041(16) 0.1924(10) 0.5723(10) 0.151(8) Uani 0.50 1 d PDU A 1
F5A F 1.3048(13) 0.2578(4) 0.4699(19) 0.131(8) Uani 0.50 1 d PDU A 1
F6A F 1.3273(11) 0.1786(7) 0.4222(15) 0.127(6) Uani 0.50 1 d PDU A 1
O01 O 0.9616(16) 0.0492(8) 0.9626(12) 0.309(12) Uani 1 1 d . . .
C106 C 1.0357(7) 0.1979(3) 0.7220(6) 0.092(3) Uani 1 1 d D . .
F7 F 1.1287(10) 0.1863(7) 0.7066(16) 0.133(6) Uani 0.50 1 d PDU B 2
F8 F 1.0436(16) 0.2193(6) 0.8139(9) 0.122(5) Uani 0.50 1 d PDU B 2
F9 F 1.0060(12) 0.2399(5) 0.6586(12) 0.126(5) Uani 0.50 1 d PDU B 2
F7A F 1.1016(14) 0.1875(8) 0.8094(11) 0.151(6) Uani 0.50 1 d PDU B 1
F8A F 0.9935(13) 0.2442(5) 0.7365(19) 0.154(6) Uani 0.50 1 d PDU B 1
F9A F 1.0943(14) 0.2031(8) 0.6535(11) 0.125(6) Uani 0.50 1 d PDU B 1
C107 C 0.9608(6) 0.1503(3) 0.6995(6) 0.0649(19) Uani 1 1 d . B .
C108 C 0.8608(8) 0.1596(3) 0.7136(9) 0.091(3) Uani 1 1 d . . .
H10C H 0.8415 0.1943 0.7305 0.109 Uiso 1 1 calc R B .
C109 C 0.7892(7) 0.1177(4) 0.7026(8) 0.082(3) Uani 1 1 d . B .
C110 C 0.6826(9) 0.1300(3) 0.7243(9) 0.119(5) Uani 1 1 d D . .
F10 F 0.6721(16) 0.1752(5) 0.7729(14) 0.144(6) Uani 0.50 1 d PDU B 2
F11 F 0.6140(10) 0.1359(8) 0.6337(11) 0.150(5) Uani 0.50 1 d PDU B 2
F12 F 0.6419(12) 0.0899(5) 0.7698(16) 0.142(5) Uani 0.50 1 d PDU B 2
F10A F 0.6568(17) 0.1816(5) 0.7126(16) 0.150(6) Uani 0.50 1 d PDU B 1
F11A F 0.6085(12) 0.0996(7) 0.6794(19) 0.161(6) Uani 0.50 1 d PDU B 1
F12A F 0.6896(13) 0.1230(9) 0.8270(11) 0.164(5) Uani 0.50 1 d PDU B 1
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Er Er -0.2586 4.9576 '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
O4 Er1 O2 74.39(14) . .
O4 Er1 O5 124.70(15) . .
O2 Er1 O5 147.39(15) . .
O4 Er1 O1 71.43(14) . .
O2 Er1 O1 68.59(15) . .
O5 Er1 O1 138.95(14) . .
O4 Er1 O3 69.51(13) . .
O2 Er1 O3 83.32(15) . .
O5 Er1 O3 80.60(14) . .
O1 Er1 O3 136.63(13) . .
O4 Er1 O6 75.78(14) . .
O2 Er1 O6 139.62(14) . .
O5 Er1 O6 72.92(15) . .
O1 Er1 O6 76.49(15) . .
O3 Er1 O6 110.71(16) . .
O4 Er1 N2 134.99(16) . .
O2 Er1 N2 68.83(17) . .
O5 Er1 N2 80.74(17) . .
O1 Er1 N2 115.72(18) . .
O3 Er1 N2 81.11(19) . .
O6 Er1 N2 148.41(16) . .
O4 Er1 N1 134.35(16) . .
O2 Er1 N1 107.05(17) . .
O5 Er1 N1 79.06(17) . .
O1 Er1 N1 67.45(16) . .
O3 Er1 N1 155.37(16) . .
O6 Er1 N1 76.18(18) . .
N2 Er1 N1 82.05(19) . .
O4 Er1 Yb1 42.27(9) . 3_756
O2 Er1 Yb1 42.90(11) . 3_756
O5 Er1 Yb1 166.43(12) . 3_756
O1 Er1 Yb1 42.20(9) . 3_756
O3 Er1 Yb1 94.91(10) . 3_756
O6 Er1 Yb1 97.07(10) . 3_756
N2 Er1 Yb1 111.39(13) . 3_756
N1 Er1 Yb1 107.94(13) . 3_756
O4 Er1 Yb1 34.62(9) . .
O2 Er1 Yb1 70.30(11) . .
O5 Er1 Yb1 109.24(11) . .
O1 Er1 Yb1 101.78(10) . .
O3 Er1 Yb1 35.82(10) . .
O6 Er1 Yb1 98.62(11) . .
N2 Er1 Yb1 106.41(14) . .
N1 Er1 Yb1 168.75(13) . .
Yb1 Er1 Yb1 62.384(8) 3_756 .
O4 Yb1 O3 69.64(13) . .
O4 Yb1 O8 140.85(15) . .
O3 Yb1 O8 81.25(17) . .
O4 Yb1 O1 133.72(13) . 3_756
O3 Yb1 O1 147.37(15) . 3_756
O8 Yb1 O1 84.25(16) . 3_756
O4 Yb1 O7 76.56(16) . .
O3 Yb1 O7 78.05(18) . .
O8 Yb1 O7 72.13(17) . .
O1 Yb1 O7 124.54(17) 3_756 .
O4 Yb1 O4 71.91(14) . 3_756
O3 Yb1 O4 106.30(15) . 3_756
O8 Yb1 O4 143.73(15) . 3_756
O1 Yb1 O4 70.39(14) 3_756 3_756
O7 Yb1 O4 143.86(15) . 3_756
O4 Yb1 O2 76.20(14) . 3_756
O3 Yb1 O2 144.15(14) . 3_756
O8 Yb1 O2 122.09(18) . 3_756
O1 Yb1 O2 67.36(14) 3_756 3_756
O7 Yb1 O2 83.87(16) . 3_756
O4 Yb1 O2 71.96(14) 3_756 3_756
O4 Yb1 N3 114.40(15) . .
O3 Yb1 N3 67.62(16) . .
O8 Yb1 N3 75.30(18) . .
O1 Yb1 N3 80.49(16) 3_756 .
O7 Yb1 N3 135.48(17) . .
O4 Yb1 N3 75.26(14) 3_756 .
O2 Yb1 N3 139.96(15) 3_756 .
O4 Yb1 C26 90.69(14) . .
O3 Yb1 C26 22.61(15) . .
O8 Yb1 C26 67.09(19) . .
O1 Yb1 C26 125.29(15) 3_756 .
O7 Yb1 C26 90.64(19) . .
O4 Yb1 C26 106.75(17) 3_756 .
O2 Yb1 C26 166.63(15) 3_756 .
N3 Yb1 C26 48.42(17) . .
O4 Yb1 Er1 91.53(9) . 3_756
O3 Yb1 Er1 147.13(11) . 3_756
O8 Yb1 Er1 125.66(13) . 3_756
O1 Yb1 Er1 42.19(10) 3_756 3_756
O7 Yb1 Er1 124.85(13) . 3_756
O4 Yb1 Er1 40.97(9) 3_756 3_756
O2 Yb1 Er1 41.26(10) 3_756 3_756
N3 Yb1 Er1 98.73(11) . 3_756
C26 Yb1 Er1 143.90(14) . 3_756
O4 Yb1 Yb1 36.34(9) . 3_756
O3 Yb1 Yb1 87.83(10) . 3_756
O8 Yb1 Yb1 167.72(14) . 3_756
O1 Yb1 Yb1 102.34(10) 3_756 3_756
O7 Yb1 Yb1 111.17(12) . 3_756
O4 Yb1 Yb1 35.57(8) 3_756 3_756
O2 Yb1 Yb1 70.18(11) 3_756 3_756
N3 Yb1 Yb1 95.40(11) . 3_756
C26 Yb1 Yb1 100.78(13) . 3_756
Er1 Yb1 Yb1 62.978(8) 3_756 3_756
O4 Yb1 Er1 34.34(9) . .
O3 Yb1 Er1 36.24(10) . .
O8 Yb1 Er1 115.99(13) . .
O1 Yb1 Er1 152.98(11) 3_756 .
O7 Yb1 Er1 80.57(13) . .
O4 Yb1 Er1 83.23(9) 3_756 .
O2 Yb1 Er1 110.54(11) 3_756 .
N3 Yb1 Er1 87.40(12) . .
C26 Yb1 Er1 56.38(11) . .
Er1 Yb1 Er1 117.616(8) 3_756 .
Yb1 Yb1 Er1 54.638(8) 3_756 .
C8 O1 Er1 121.5(4) . .
C8 O1 Yb1 141.8(4) . 3_756
Er1 O1 Yb1 95.60(14) . 3_756
C17 O2 Er1 120.8(4) . .
C17 O2 Yb1 143.3(4) . 3_756
Er1 O2 Yb1 95.83(15) . 3_756
C26 O3 Yb1 115.6(4) . .
C26 O3 Er1 126.0(4) . .
Yb1 O3 Er1 107.94(16) . .
Er1 O4 Yb1 111.04(15) . .
Er1 O4 Yb1 96.76(14) . 3_756
Yb1 O4 Yb1 108.09(14) . 3_756
C102 O5 Er1 133.8(4) . .
C104 O6 Er1 132.4(4) . .
C107 O7 Yb1 132.1(5) . .
C109 O8 Yb1 133.4(5) . .
C1 N1 C9 118.2(6) . .
C1 N1 Er1 127.0(5) . .
C9 N1 Er1 114.3(4) . .
C10 N2 C18 117.6(6) . .
C10 N2 Er1 127.5(5) . .
C18 N2 Er1 114.2(4) . .
C19 N3 C27 118.2(6) . .
C19 N3 Yb1 129.1(4) . .
C27 N3 Yb1 111.5(4) . .
N1 C1 C2 122.9(8) . .
C3 C2 C1 119.3(8) . .
C2 C3 C4 121.4(8) . .
C5 C4 C9 119.1(7) . .
C5 C4 C3 124.7(7) . .
C9 C4 C3 116.3(8) . .
C6 C5 C4 119.5(7) . .
C5 C6 C7 122.4(8) . .
C8 C7 C6 120.1(8) . .
O1 C8 C7 123.4(6) . .
O1 C8 C9 117.6(6) . .
C7 C8 C9 118.9(6) . .
N1 C9 C4 121.9(6) . .
N1 C9 C8 118.1(5) . .
C4 C9 C8 120.0(6) . .
N2 C10 C11 123.2(8) . .
C12 C11 C10 119.9(8) . .
C11 C12 C13 120.3(8) . .
C14 C13 C12 124.3(8) . .
C14 C13 C18 119.0(8) . .
C12 C13 C18 116.6(8) . .
C15 C14 C13 119.3(8) . .
C14 C15 C16 123.2(8) . .
C17 C16 C15 120.5(8) . .
O2 C17 C16 124.5(6) . .
O2 C17 C18 118.1(6) . .
C16 C17 C18 117.4(6) . .
N2 C18 C13 122.4(7) . .
N2 C18 C17 117.0(6) . .
C13 C18 C17 120.6(7) . .
N3 C19 C20 123.6(7) . .
C21 C20 C19 118.2(8) . .
C20 C21 C22 120.7(7) . .
C21 C22 C27 117.1(7) . .
C21 C22 C23 125.0(7) . .
C27 C22 C23 117.9(8) . .
C24 C23 C22 119.9(8) . .
C23 C24 C25 121.6(7) . .
C26 C25 C24 121.0(8) . .
O3 C26 C25 124.7(6) . .
O3 C26 C27 117.7(5) . .
C25 C26 C27 117.6(6) . .
O3 C26 Yb1 41.8(3) . .
C25 C26 Yb1 152.3(6) . .
C27 C26 Yb1 81.3(4) . .
N3 C27 C22 121.5(6) . .
N3 C27 C26 117.0(6) . .
C22 C27 C26 121.5(6) . .
F2 C101 F1A 127.5(11) . .
F2 C101 F3 108.8(9) . .
F1A C101 F3 63.1(9) . .
F2 C101 F2A 37.0(8) . .
F1A C101 F2A 106.4(9) . .
F3 C101 F2A 131.1(11) . .
F2 C101 F1 106.5(9) . .
F1A C101 F1 43.3(8) . .
F3 C101 F1 105.5(9) . .
F2A C101 F1 72.0(9) . .
F2 C101 F3A 69.3(9) . .
F1A C101 F3A 106.0(9) . .
F3 C101 F3A 46.3(8) . .
F2A C101 F3A 104.1(9) . .
F1 C101 F3A 139.9(10) . .
F2 C101 C102 115.3(9) . .
F1A C101 C102 114.8(7) . .
F3 C101 C102 113.3(7) . .
F2A C101 C102 113.9(9) . .
F1 C101 C102 106.7(8) . .
F3A C101 C102 110.8(8) . .
O5 C102 C103 128.1(6) . .
O5 C102 C101 113.8(5) . .
C103 C102 C101 118.0(5) . .
C102 C103 C104 122.2(6) . .
O6 C104 C103 126.9(6) . .
O6 C104 C105 114.4(6) . .
C103 C104 C105 118.7(6) . .
F5A C105 F6 124.9(13) . .
F5A C105 F4A 107.3(11) . .
F6 C105 F4A 37.2(10) . .
F5A C105 F5 67.9(10) . .
F6 C105 F5 107.4(10) . .
F4A C105 F5 135.8(14) . .
F5A C105 F6A 105.6(10) . .
F6 C105 F6A 69.6(10) . .
F4A C105 F6A 105.9(10) . .
F5 C105 F6A 42.8(9) . .
F5A C105 F4 40.4(10) . .
F6 C105 F4 103.1(9) . .
F4A C105 F4 71.9(11) . .
F5 C105 F4 106.7(10) . .
F6A C105 F4 134.4(12) . .
F5A C105 C104 116.3(10) . .
F6 C105 C104 116.1(9) . .
F4A C105 C104 110.0(11) . .
F5 C105 C104 111.0(10) . .
F6A C105 C104 111.2(9) . .
F4 C105 C104 112.0(10) . .
F8A C106 F9A 110.1(11) . .
F8A C106 F8 58.2(9) . .
F9A C106 F8 130.6(13) . .
F8A C106 F7 130.8(13) . .
F9A C106 F7 38.8(9) . .
F8 C106 F7 108.4(10) . .
F8A C106 F7A 105.5(10) . .
F9A C106 F7A 104.3(10) . .
F8 C106 F7A 49.2(9) . .
F7 C106 F7A 67.4(10) . .
F8A C106 F9 48.2(9) . .
F9A C106 F9 68.4(9) . .
F8 C106 F9 103.6(9) . .
F7 C106 F9 104.1(10) . .
F7A C106 F9 139.1(12) . .
F8A C106 C107 115.0(10) . .
F9A C106 C107 112.7(10) . .
F8 C106 C107 115.1(9) . .
F7 C106 C107 113.1(9) . .
F7A C106 C107 108.4(10) . .
F9 C106 C107 111.5(9) . .
O7 C107 C108 127.8(7) . .
O7 C107 C106 115.8(7) . .
C108 C107 C106 116.4(7) . .
C107 C108 C109 120.6(7) . .
O8 C109 C108 127.4(8) . .
O8 C109 C110 114.7(8) . .
C108 C109 C110 117.9(7) . .
F11A C110 F10 125.6(16) . .
F11A C110 F10A 110.5(11) . .
F10 C110 F10A 35.6(11) . .
F11A C110 F12 55.7(10) . .
F10 C110 F12 108.8(10) . .
F10A C110 F12 131.0(15) . .
F11A C110 F12A 107.1(11) . .
F10 C110 F12A 66.9(10) . .
F10A C110 F12A 102.0(10) . .
F12 C110 F12A 53.6(9) . .
F11A C110 F11 48.2(10) . .
F10 C110 F11 103.3(11) . .
F10A C110 F11 71.5(11) . .
F12 C110 F11 102.6(11) . .
F12A C110 F11 143.3(13) . .
F11A C110 C109 116.6(10) . .
F10 C110 C109 116.8(12) . .
F10A C110 C109 113.6(12) . .
F12 C110 C109 113.9(9) . .
F12A C110 C109 105.8(11) . .
F11 C110 C109 109.9(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Er1 O4 2.284(4) .
Er1 O2 2.293(4) .
Er1 O5 2.322(4) .
Er1 O1 2.334(4) .
Er1 O3 2.348(4) .
Er1 O6 2.367(4) .
Er1 N2 2.464(6) .
Er1 N1 2.504(5) .
Er1 Yb1 3.4587(4) 3_756
Er1 Yb1 3.7782(4) .
Yb1 O4 2.300(3) .
Yb1 O3 2.324(4) .
Yb1 O8 2.329(4) .
Yb1 O1 2.335(4) 3_756
Yb1 O7 2.340(5) .
Yb1 O4 2.343(4) 3_756
Yb1 O2 2.367(4) 3_756
Yb1 N3 2.484(5) .
Yb1 C26 3.145(7) .
Yb1 Er1 3.4587(4) 3_756
Yb1 Yb1 3.7580(5) 3_756
O1 C8 1.341(7) .
O1 Yb1 2.335(4) 3_756
O2 C17 1.334(8) .
O2 Yb1 2.367(4) 3_756
O3 C26 1.341(8) .
O4 Yb1 2.343(4) 3_756
O5 C102 1.258(8) .
O6 C104 1.247(8) .
O7 C107 1.249(8) .
O8 C109 1.237(9) .
N1 C1 1.339(9) .
N1 C9 1.363(9) .
N2 C10 1.334(9) .
N2 C18 1.370(9) .
N3 C19 1.319(8) .
N3 C27 1.376(8) .
C1 C2 1.398(11) .
C2 C3 1.320(14) .
C3 C4 1.425(12) .
C4 C5 1.409(12) .
C4 C9 1.418(9) .
C5 C6 1.330(13) .
C6 C7 1.424(11) .
C7 C8 1.352(10) .
C8 C9 1.425(9) .
C10 C11 1.389(12) .
C11 C12 1.344(13) .
C12 C13 1.414(12) .
C13 C14 1.413(13) .
C13 C18 1.420(10) .
C14 C15 1.353(14) .
C15 C16 1.393(12) .
C16 C17 1.392(10) .
C17 C18 1.442(10) .
C19 C20 1.397(10) .
C20 C21 1.366(12) .
C21 C22 1.400(12) .
C22 C27 1.413(10) .
C22 C23 1.416(11) .
C23 C24 1.354(14) .
C24 C25 1.409(12) .
C25 C26 1.368(9) .
C26 C27 1.422(9) .
C101 F2 1.303(8) .
C101 F1A 1.303(8) .
C101 F3 1.307(8) .
C101 F2A 1.320(8) .
C101 F1 1.324(8) .
C101 F3A 1.330(8) .
C101 C102 1.524(9) .
C102 C103 1.358(9) .
C103 C104 1.386(9) .
C104 C105 1.516(10) .
C105 F5A 1.303(9) .
C105 F6 1.305(9) .
C105 F4A 1.308(9) .
C105 F5 1.308(9) .
C105 F6A 1.313(9) .
C105 F4 1.325(9) .
C106 F8A 1.297(9) .
C106 F9A 1.300(9) .
C106 F8 1.310(8) .
C106 F7 1.310(9) .
C106 F7A 1.335(9) .
C106 F9 1.340(9) .
C106 C107 1.524(11) .
C107 C108 1.383(12) .
C108 C109 1.386(12) .
C109 C110 1.515(13) .
C110 F11A 1.284(9) .
C110 F10 1.302(9) .
C110 F10A 1.312(9) .
C110 F12 1.321(9) .
C110 F12A 1.356(9) .
C110 F11 1.368(9) .
