# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Compound-1
_database_code_depnum_ccdc_archive 'CCDC 1581287'
_audit_update_record             
;
2017-10-22 deposited with the CCDC.
2019-01-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        1
_chemical_name_common            Resorcin[4]arene-Tb
_chemical_melting_point          ?
_chemical_formula_moiety         'C66 H94 N O33 Tb2'
_chemical_formula_sum            'C66 H94 N O33 Tb2'
_chemical_formula_weight         1747.26

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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.6240(5)
_cell_length_b                   14.8640(9)
_cell_length_c                   22.1860(16)
_cell_angle_alpha                97.698(5)
_cell_angle_beta                 92.368(5)
_cell_angle_gamma                98.312(4)
_cell_volume                     3751.6(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4746
_cell_measurement_theta_min      3.7030
_cell_measurement_theta_max      27.2620

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.547
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1782
_exptl_absorpt_coefficient_mu    1.957
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6956
_exptl_absorpt_correction_T_max  0.8283
_exptl_absorpt_process_details   
;
CrysAlis (Oxford Diffraction, 2006) 
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_diffrn_detector_area_resol_mean 10.0
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            27889
_diffrn_reflns_av_R_equivalents  0.0856
_diffrn_reflns_av_sigmaI/netI    0.1810
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.85
_diffrn_reflns_theta_max         29.33
_reflns_number_total             16870
_reflns_number_gt                10588
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_cell_refinement       CrysAlis
_computing_data_reduction        CrysAlis
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0252P)²+200.6389P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         16870
_refine_ls_number_parameters     914
_refine_ls_number_restraints     231
_refine_ls_R_factor_all          0.2009
_refine_ls_R_factor_gt           0.1461
_refine_ls_wR_factor_ref         0.3284
_refine_ls_wR_factor_gt          0.2933
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_restrained_S_all      1.102
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
Tb1 Tb 0.19783(7) 1.15837(6) -0.02573(4) 0.0248(2) Uani 1 1 d . . .
Tb2 Tb 0.72862(7) 0.23353(6) -0.13632(4) 0.0287(2) Uani 1 1 d . . .
C1 C 0.6367(14) 0.8883(12) -0.2164(9) 0.028(4) Uani 1 1 d . . .
C2 C 0.6186(13) 0.9659(10) -0.1785(8) 0.021(3) Uani 1 1 d U . .
H2 H 0.6518 0.9797 -0.1389 0.026 Uiso 1 1 calc R . .
C3 C 0.5475(14) 1.0233(11) -0.2026(9) 0.026(4) Uani 1 1 d . . .
C4 C 0.4919(14) 1.0052(11) -0.2569(9) 0.027(4) Uani 1 1 d . . .
C5 C 0.5103(15) 0.9257(13) -0.2937(9) 0.031(4) Uani 1 1 d . . .
H5 H 0.4715 0.9120 -0.3320 0.038 Uiso 1 1 calc R . .
C6 C 0.5830(15) 0.8647(11) -0.2769(8) 0.026(4) Uani 1 1 d . . .
C7 C 0.8111(15) 0.8687(13) -0.1609(8) 0.030(4) Uani 1 1 d . . .
H7A H 0.8371 0.9300 -0.1703 0.036 Uiso 1 1 calc R . .
H7B H 0.8730 0.8326 -0.1701 0.036 Uiso 1 1 calc R . .
C8 C 0.7945(14) 0.8754(12) -0.0931(9) 0.028(4) Uani 1 1 d . . .
C9 C 0.4464(16) 1.1072(12) -0.1293(11) 0.041(5) Uani 1 1 d . . .
H9A H 0.4289 1.0488 -0.1141 0.049 Uiso 1 1 calc R . .
H9B H 0.3794 1.1160 -0.1542 0.049 Uiso 1 1 calc R . .
C10 C 0.4751(16) 1.1878(13) -0.0747(9) 0.029(4) Uani 1 1 d . . .
C11 C 0.4198(15) 1.0712(13) -0.2822(9) 0.030(4) Uani 1 1 d U . .
H11 H 0.4444 1.1314 -0.2578 0.036 Uiso 1 1 calc R . .
C12 C 0.2862(15) 1.0449(13) -0.2735(9) 0.029(4) Uani 1 1 d U . .
C13 C 0.2051(13) 1.1136(10) -0.2526(7) 0.018(3) Uani 1 1 d U . .
C14 C 0.1047(18) 1.0942(12) -0.2536(8) 0.034(4) Uani 1 1 d U . .
H14 H 0.0599 1.1407 -0.2447 0.041 Uiso 1 1 calc R . .
C15 C 0.0479(14) 1.0029(12) -0.2676(9) 0.028(4) Uani 1 1 d . . .
C16 C 0.1122(14) 0.9328(12) -0.2833(8) 0.025(4) Uani 1 1 d U . .
C17 C 0.2301(14) 0.9574(12) -0.2879(8) 0.027(4) Uani 1 1 d . . .
H17 H 0.2735 0.9117 -0.3016 0.032 Uiso 1 1 calc R . .
C18 C 0.2108(15) 1.2715(12) -0.2134(9) 0.028(4) Uani 1 1 d . . .
H18A H 0.1467 1.2739 -0.2423 0.034 Uiso 1 1 calc R . .
H18B H 0.2595 1.3311 -0.2076 0.034 Uiso 1 1 calc R . .
C19 C 0.1609(15) 1.2530(12) -0.1516(10) 0.036(5) Uani 1 1 d . . .
C20 C -0.1447(15) 1.0448(13) -0.2771(9) 0.031(4) Uani 1 1 d . . .
H20A H -0.2168 1.0122 -0.2979 0.038 Uiso 1 1 calc R . .
H20B H -0.1065 1.0832 -0.3047 0.038 Uiso 1 1 calc R . .
C21 C -0.1744(16) 1.1066(14) -0.2216(9) 0.035(4) Uani 1 1 d U . .
C22 C 0.0520(14) 0.8321(11) -0.2983(9) 0.028(4) Uani 1 1 d . . .
H22 H -0.0265 0.8303 -0.2836 0.034 Uiso 1 1 calc R . .
C23 C 0.1138(14) 0.7695(11) -0.2624(8) 0.025(4) Uani 1 1 d U . .
C24 C 0.1139(14) 0.7783(12) -0.2002(8) 0.027(4) Uani 1 1 d U . .
C25 C 0.1484(14) 0.7131(11) -0.1674(8) 0.023(3) Uani 1 1 d U . .
H25 H 0.1395 0.7175 -0.1257 0.028 Uiso 1 1 calc R . .
C26 C 0.1974(16) 0.6399(14) -0.1980(9) 0.036(4) Uani 1 1 d U . .
C27 C 0.2053(13) 0.6291(11) -0.2599(8) 0.024(4) Uani 1 1 d . . .
C28 C 0.1642(14) 0.6956(12) -0.2926(9) 0.030(4) Uani 1 1 d . . .
H28 H 0.1705 0.6905 -0.3346 0.036 Uiso 1 1 calc R . .
C29 C 0.1582(18) 0.9278(13) -0.1438(10) 0.040(5) Uani 1 1 d . . .
H29A H 0.1311 0.9840 -0.1519 0.049 Uiso 1 1 calc R . .
H29B H 0.2286 0.9230 -0.1652 0.049 Uiso 1 1 calc R . .
C30 C 0.1881(15) 0.9352(13) -0.0766(9) 0.032(4) Uani 1 1 d . . .
C31 C 0.1574(19) 0.5381(14) -0.1259(10) 0.041(5) Uani 1 1 d U . .
H31A H 0.0794 0.5438 -0.1406 0.050 Uiso 1 1 calc R . .
H31B H 0.1610 0.4730 -0.1278 0.050 Uiso 1 1 calc R . .
C32 C 0.1731(17) 0.5790(12) -0.0622(10) 0.036(4) Uani 1 1 d U . .
C33 C 0.2664(17) 0.5507(13) -0.2885(9) 0.035(4) Uani 1 1 d U . .
C34 C 0.3960(14) 0.5807(12) -0.2844(8) 0.027(4) Uani 1 1 d . . .
C35 C 0.4743(16) 0.5181(12) -0.2745(10) 0.034(4) Uani 1 1 d . . .
C36 C 0.5933(16) 0.5446(12) -0.2730(9) 0.033(4) Uani 1 1 d . . .
H36 H 0.6452 0.5038 -0.2677 0.040 Uiso 1 1 calc R . .
C37 C 0.631(2) 0.6332(18) -0.2796(12) 0.058(6) Uani 1 1 d U . .
C38 C 0.5683(15) 0.6928(12) -0.2988(9) 0.029(4) Uani 1 1 d . . .
C39 C 0.4488(15) 0.6664(13) -0.2966(9) 0.032(4) Uani 1 1 d . . .
H39 H 0.4005 0.7090 -0.3038 0.038 Uiso 1 1 calc R . .
C40 C 0.4900(14) 0.3619(11) -0.2626(9) 0.028(4) Uani 1 1 d . . .
H40A H 0.5468 0.3668 -0.2933 0.034 Uiso 1 1 calc R . .
H40B H 0.4398 0.3033 -0.2734 0.034 Uiso 1 1 calc R . .
C41 C 0.5542(16) 0.3625(14) -0.2010(11) 0.040(5) Uani 1 1 d . . .
C42 C 0.8347(16) 0.5932(14) -0.2824(12) 0.049(6) Uani 1 1 d . . .
H42A H 0.9096 0.6182 -0.2957 0.059 Uiso 1 1 calc R . .
H42B H 0.8052 0.5379 -0.3102 0.059 Uiso 1 1 calc R . .
C43 C 0.8533(17) 0.5674(18) -0.2206(15) 0.058(7) Uani 1 1 d . . .
C44 C 0.6157(14) 0.7841(11) -0.3164(8) 0.024(3) Uani 1 1 d U . .
H44 H 0.7007 0.7896 -0.3114 0.029 Uiso 1 1 calc R . .
C45 C 0.4374(16) 1.0843(14) -0.3477(10) 0.040(5) Uani 1 1 d . . .
H45A H 0.4108 1.0259 -0.3730 0.048 Uiso 1 1 calc R . .
H45B H 0.3872 1.1271 -0.3586 0.048 Uiso 1 1 calc R . .
C46 C 0.560(2) 1.1187(19) -0.3643(14) 0.065(8) Uani 1 1 d . . .
H46A H 0.5816 1.1824 -0.3464 0.078 Uiso 1 1 calc R . .
H46B H 0.6141 1.0836 -0.3468 0.078 Uiso 1 1 calc R . .
C47 C 0.572(3) 1.111(3) -0.4294(18) 0.116(13) Uani 1 1 d U . .
H47A H 0.5294 1.1552 -0.4453 0.140 Uiso 1 1 calc R . .
H47B H 0.5361 1.0505 -0.4479 0.140 Uiso 1 1 calc R . .
C48 C 0.687(4) 1.126(4) -0.448(2) 0.153(14) Uani 1 1 d U . .
H48A H 0.7273 1.0780 -0.4360 0.184 Uiso 1 1 calc R . .
H48B H 0.7262 1.1838 -0.4254 0.184 Uiso 1 1 calc R . .
C49 C 0.705(4) 1.130(3) -0.515(2) 0.138(13) Uani 1 1 d U . .
H49A H 0.7870 1.1394 -0.5215 0.207 Uiso 1 1 calc R . .
H49B H 0.6708 1.1802 -0.5279 0.207 Uiso 1 1 calc R . .
H49C H 0.6688 1.0736 -0.5388 0.207 Uiso 1 1 calc R . .
C50 C 0.0367(18) 0.8005(14) -0.3661(9) 0.038(5) Uani 1 1 d . . .
H50A H 0.1128 0.8047 -0.3829 0.046 Uiso 1 1 calc R . .
H50B H 0.0013 0.7365 -0.3732 0.046 Uiso 1 1 calc R . .
C51 C -0.039(2) 0.8565(18) -0.3996(12) 0.055(6) Uani 1 1 d . . .
H51A H -0.0051 0.9209 -0.3907 0.066 Uiso 1 1 calc R . .
H51B H -0.1157 0.8498 -0.3841 0.066 Uiso 1 1 calc R . .
C52 C -0.050(3) 0.828(2) -0.4693(14) 0.077(8) Uani 1 1 d U . .
H52A H 0.0272 0.8307 -0.4841 0.093 Uiso 1 1 calc R . .
H52B H -0.0884 0.7652 -0.4780 0.093 Uiso 1 1 calc R . .
C53 C -0.115(5) 0.884(3) -0.5037(19) 0.16(2) Uani 1 1 d . . .
H53A H -0.1922 0.8813 -0.4881 0.196 Uiso 1 1 calc R . .
H53B H -0.0776 0.9476 -0.4931 0.196 Uiso 1 1 calc R . .
C54 C -0.131(4) 0.867(3) -0.568(2) 0.147(16) Uani 1 1 d U . .
H54A H -0.1742 0.9119 -0.5825 0.220 Uiso 1 1 calc R . .
H54B H -0.1737 0.8068 -0.5807 0.220 Uiso 1 1 calc R . .
H54C H -0.0566 0.8718 -0.5858 0.220 Uiso 1 1 calc R . .
C55 C 0.2211(16) 0.5155(16) -0.3573(10) 0.042(5) Uani 1 1 d . . .
H55A H 0.2278 0.5675 -0.3798 0.051 Uiso 1 1 calc R . .
H55B H 0.2708 0.4733 -0.3753 0.051 Uiso 1 1 calc R . .
C56 C 0.094(4) 0.467(4) -0.364(3) 0.159(14) Uani 1 1 d U . .
H56A H 0.0473 0.5050 -0.3399 0.190 Uiso 1 1 calc R . .
H56B H 0.0908 0.4096 -0.3479 0.190 Uiso 1 1 calc R . .
C57 C 0.041(5) 0.447(5) -0.428(3) 0.216(15) Uani 1 1 d DU . .
H57A H 0.0527 0.5024 -0.4473 0.259 Uiso 1 1 calc R . .
H57B H 0.0784 0.4009 -0.4515 0.259 Uiso 1 1 calc R . .
C58 C -0.094(5) 0.411(5) -0.428(3) 0.217(15) Uani 1 1 d DU . .
H58A H -0.1243 0.3727 -0.4656 0.260 Uiso 1 1 calc R . .
H58B H -0.1392 0.4613 -0.4198 0.260 Uiso 1 1 calc R . .
C59 C 0.586(2) 0.7826(15) -0.3851(10) 0.047(5) Uani 1 1 d . . .
H59A H 0.5023 0.7738 -0.3929 0.057 Uiso 1 1 calc R . .
H59B H 0.6181 0.8410 -0.3972 0.057 Uiso 1 1 calc R . .
C60 C 0.637(3) 0.704(2) -0.4230(19) 0.108(9) Uani 1 1 d DU . .
C61 C 0.594(5) 0.691(4) -0.497(3) 0.180(14) Uani 1 1 d U . .
H61A H 0.5792 0.7481 -0.5096 0.215 Uiso 1 1 calc R . .
H61B H 0.6496 0.6645 -0.5222 0.215 Uiso 1 1 calc R . .
C62 C 0.475(5) 0.620(4) -0.495(3) 0.190(14) Uani 1 1 d DU . .
C63 C 0.474(5) 0.607(4) -0.569(3) 0.188(14) Uani 1 1 d U . .
H63A H 0.4049 0.5669 -0.5856 0.281 Uiso 1 1 calc R . .
H63B H 0.5414 0.5818 -0.5817 0.281 Uiso 1 1 calc R . .
H63C H 0.4746 0.6661 -0.5822 0.281 Uiso 1 1 calc R . .
C64 C -0.089(6) 0.355(5) -0.373(3) 0.219(15) Uani 1 1 d DU . .
H64A H -0.1665 0.3272 -0.3655 0.329 Uiso 1 1 calc R . .
H64B H -0.0560 0.3949 -0.3366 0.329 Uiso 1 1 calc R . .
H64C H -0.0419 0.3072 -0.3819 0.329 Uiso 1 1 calc R . .
C65 C 0.443(3) 0.784(3) -0.1069(18) 0.103(12) Uiso 1 1 d . . .
H65A H 0.4090 0.8248 -0.0778 0.155 Uiso 1 1 calc R . .
H65B H 0.3854 0.7573 -0.1392 0.155 Uiso 1 1 calc R . .
H65C H 0.5080 0.8174 -0.1233 0.155 Uiso 1 1 calc R . .
C66 C 0.534(2) 0.6457(17) -0.1218(13) 0.062(7) Uani 1 1 d . . .
H66A H 0.5601 0.5975 -0.1025 0.093 Uiso 1 1 calc R . .
H66B H 0.5994 0.6795 -0.1383 0.093 Uiso 1 1 calc R . .
H66C H 0.4766 0.6196 -0.1540 0.093 Uiso 1 1 calc R . .
N1 N 0.4825(17) 0.7089(11) -0.0759(9) 0.048(5) Uani 1 1 d . . .
O1 O 0.5703(11) 1.2372(9) -0.0734(7) 0.042(4) Uani 1 1 d . . .
O2 O 0.3998(10) 1.1923(9) -0.0359(6) 0.034(3) Uani 1 1 d . . .
O3 O 0.2019(14) 1.1994(10) -0.1223(7) 0.050(4) Uani 1 1 d . . .
O4 O 0.0855(12) 1.3032(9) -0.1362(7) 0.043(4) Uani 1 1 d . . .
O5 O -0.1238(13) 1.1193(10) -0.1707(7) 0.046(4) Uani 1 1 d . . .
O6 O -0.2598(11) 1.1506(9) -0.2355(7) 0.038(3) Uani 1 1 d . . .
O7 O 0.2457(11) 1.0149(8) -0.0562(7) 0.037(3) Uani 1 1 d . . .
O8 O 0.1629(13) 0.8731(10) -0.0463(7) 0.046(4) Uani 1 1 d . . .
O9 O 0.0918(13) 0.5822(11) -0.0280(7) 0.052(4) Uani 1 1 d . . .
H9 H 0.0304 0.5592 -0.0472 0.078 Uiso 1 1 calc R . .
O10 O 0.5388(14) 0.4184(11) -0.1567(7) 0.048(4) Uani 1 1 d . . .
O11 O 0.6146(12) 0.2993(9) -0.1999(7) 0.043(3) Uani 1 1 d . . .
O12 O 0.888(2) 0.4962(12) -0.2155(10) 0.088(7) Uani 1 1 d . . .
O13 O 0.8309(15) 0.6227(14) -0.1759(10) 0.074(6) Uani 1 1 d . . .
O14 O 0.7107(11) 0.8312(9) -0.0738(6) 0.034(3) Uani 1 1 d . . .
O15 O 0.8754(10) 0.9265(8) -0.0584(6) 0.031(3) Uani 1 1 d . . .
O16 O 0.2812(13) 0.6053(13) -0.0383(7) 0.058(5) Uani 1 1 d . . .
O17 O 0.5460(10) 1.1083(7) -0.1642(6) 0.027(3) Uani 1 1 d . . .
O18 O 0.2789(10) 1.2024(8) -0.2393(6) 0.033(3) Uani 1 1 d . . .
O19 O -0.0721(10) 0.9793(8) -0.2652(7) 0.036(3) Uani 1 1 d . . .
O20 O 0.0709(11) 0.8512(9) -0.1683(6) 0.035(3) Uani 1 1 d . . .
O21 O 0.2350(12) 0.5729(9) -0.1664(6) 0.036(3) Uani 1 1 d . . .
O22 O 0.4214(10) 0.4335(8) -0.2642(6) 0.031(3) Uani 1 1 d U . .
O23 O 0.7564(11) 0.6585(9) -0.2870(8) 0.045(4) Uani 1 1 d . . .
O24 O 0.7114(11) 0.8293(8) -0.2001(6) 0.031(3) Uani 1 1 d . . .
O1W O 0.2604(14) 1.3214(11) -0.0083(8) 0.057(4) Uani 1 1 d DU . .
O2W O 0.0450(10) 1.2320(8) 0.0279(7) 0.036(3) Uani 1 1 d . . .
O3W O 0.0144(12) 1.0797(9) -0.0761(6) 0.036(3) Uani 1 1 d U . .
O4W O 0.7378(13) 0.1230(9) -0.0674(7) 0.047(4) Uani 1 1 d . . .
O5W O 0.7217(10) 0.3909(8) -0.0827(6) 0.034(3) Uani 1 1 d . . .
O6W O 0.8999(12) 0.2810(10) -0.0652(7) 0.043(3) Uani 1 1 d . . .
O7W O 0.8768(13) 0.3257(10) -0.1862(7) 0.046(4) Uani 1 1 d U . .
O8W O 0.411(2) 1.4457(19) -0.0606(15) 0.144(11) Uani 1 1 d DU . .
O9W O 0.8666(12) 0.5598(10) -0.0693(7) 0.046(4) Uani 1 1 d . . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes.
;

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
Tb1 O3 2.306(16) . ?
Tb1 O7 2.303(13) . ?
Tb1 O2 2.355(12) . ?
Tb1 O14 2.387(13) 2_675 ?
Tb1 O3W 2.428(14) . ?
Tb1 O1W 2.401(16) . ?
Tb1 O2W 2.481(12) . ?
Tb1 O15 2.501(12) 2_675 ?
Tb1 C8 2.749(19) 2_675 ?
Tb2 O11 2.300(14) . ?
Tb2 O1 2.358(13) 1_545 ?
Tb2 O6 2.393(15) 1_645 ?
Tb2 O4W 2.401(13) . ?
Tb2 O7W 2.439(15) . ?
Tb2 O6W 2.448(14) . ?
Tb2 O5W 2.492(12) . ?
Tb2 O17 2.607(12) 1_545 ?
Tb2 O5 2.648(17) 1_645 ?
Tb2 C21 2.872(19) 1_645 ?
C1 O24 1.389(18) . ?
C1 C2 1.38(2) . ?
C1 C6 1.43(3) . ?
C2 C3 1.41(2) . ?
C2 H2 0.9300 . ?
C3 C4 1.32(3) . ?
C3 O17 1.43(2) . ?
C4 C5 1.39(2) . ?
C4 C11 1.52(2) . ?
C5 C6 1.40(2) . ?
C5 H5 0.9300 . ?
C6 C44 1.49(2) . ?
C7 O24 1.42(2) . ?
C7 C8 1.52(3) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 O14 1.22(2) . ?
C8 O15 1.28(2) . ?
C8 Tb1 2.749(19) 2_675 ?
C9 O17 1.42(2) . ?
C9 C10 1.57(3) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 O1 1.23(2) . ?
C10 O2 1.25(2) . ?
C11 C45 1.51(3) . ?
C11 C12 1.57(2) . ?
C11 H11 0.9800 . ?
C12 C17 1.36(2) . ?
C12 C13 1.53(2) . ?
C13 C14 1.16(2) . ?
C13 O18 1.454(19) . ?
C14 C15 1.41(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.38(2) . ?
C15 O19 1.393(19) . ?
C16 C17 1.38(2) . ?
C16 C22 1.54(2) . ?
C17 H17 0.9300 . ?
C18 O18 1.46(2) . ?
C18 C19 1.55(3) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 O3 1.23(2) . ?
C19 O4 1.26(2) . ?
C20 O19 1.42(2) . ?
C20 C21 1.52(3) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 O5 1.23(2) . ?
C21 O6 1.31(2) . ?
C21 Tb2 2.872(19) 1_465 ?
C22 C50 1.51(3) . ?
C22 C23 1.54(2) . ?
C22 H22 0.9800 . ?
C23 C24 1.37(2) . ?
C23 C28 1.42(2) . ?
C24 O20 1.38(2) . ?
C24 C25 1.38(2) . ?
C25 C26 1.41(2) . ?
C25 H25 0.9300 . ?
C26 C27 1.37(3) . ?
C26 O21 1.40(2) . ?
C27 C28 1.43(2) . ?
C27 C33 1.53(2) . ?
C28 H28 0.9300 . ?
C29 O20 1.44(2) . ?
C29 C30 1.50(3) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 O8 1.22(2) . ?
C30 O7 1.29(2) . ?
C31 C32 1.46(3) . ?
C31 O21 1.39(2) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 O9 1.24(2) . ?
C32 O16 1.33(2) . ?
C33 C34 1.50(2) . ?
C33 C55 1.59(3) . ?
C34 C39 1.40(2) . ?
C34 C35 1.42(2) . ?
C35 O22 1.37(2) . ?
C35 C36 1.38(3) . ?
C36 C37 1.36(3) . ?
C36 H36 0.9300 . ?
C37 C38 1.32(3) . ?
C37 O23 1.48(3) . ?
C38 C39 1.39(2) . ?
C38 C44 1.50(2) . ?
C39 H39 0.9300 . ?
C40 O22 1.422(17) . ?
C40 C41 1.53(3) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C41 O10 1.24(2) . ?
C41 O11 1.25(2) . ?
C42 O23 1.43(2) . ?
C42 C43 1.49(4) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C43 O12 1.20(3) . ?
C43 O13 1.26(3) . ?
C44 C59 1.55(3) . ?
C44 H44 0.9800 . ?
C45 C46 1.52(3) . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C46 C47 1.45(4) . ?
C46 H46A 0.9700 . ?
C46 H46B 0.9700 . ?
C47 C48 1.41(5) . ?
C47 H47A 0.9700 . ?
C47 H47B 0.9700 . ?
C48 C49 1.52(6) . ?
C48 H48A 0.9700 . ?
C48 H48B 0.9700 . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C50 C51 1.53(3) . ?
C50 H50A 0.9700 . ?
C50 H50B 0.9700 . ?
C51 C52 1.54(4) . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C52 C53 1.47(4) . ?
C52 H52A 0.9700 . ?
C52 H52B 0.9700 . ?
C53 C54 1.42(6) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C55 C56 1.54(5) . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
C56 C57 1.50(7) . ?
C56 H56A 0.9700 . ?
C56 H56B 0.9700 . ?
C57 C58 1.583(10) . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
C58 C64 1.584(10) . ?
C58 H58A 0.9700 . ?
C58 H58B 0.9700 . ?
C59 C60 1.55(4) . ?
C59 H59A 0.9700 . ?
C59 H59B 0.9700 . ?
C60 C61 1.66(6) . ?
C61 C62 1.62(7) . ?
C61 H61A 0.9700 . ?
C61 H61B 0.9700 . ?
C62 C63 1.61(7) . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C65 N1 1.50(4) . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9600 . ?
C66 N1 1.50(3) . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
O1 Tb2 2.358(13) 1_565 ?
O5 Tb2 2.648(17) 1_465 ?
O6 Tb2 2.393(14) 1_465 ?
O9 H9 0.8200 . ?
O14 Tb1 2.387(13) 2_675 ?
O15 Tb1 2.501(12) 2_675 ?
O17 Tb2 2.607(12) 1_565 ?

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 Tb1 O7 94.0(5) . . ?
O3 Tb1 O2 78.7(5) . . ?
O7 Tb1 O2 78.1(4) . . ?
O3 Tb1 O14 149.2(5) . 2_675 ?
O7 Tb1 O14 93.0(5) . 2_675 ?
O2 Tb1 O14 73.5(5) . 2_675 ?
O3 Tb1 O3W 76.1(5) . . ?
O7 Tb1 O3W 79.3(4) . . ?
O2 Tb1 O3W 144.6(5) . . ?
O14 Tb1 O3W 134.7(4) 2_675 . ?
O3 Tb1 O1W 76.1(5) . . ?
O7 Tb1 O1W 147.3(5) . . ?
O2 Tb1 O1W 69.5(5) . . ?
O14 Tb1 O1W 81.9(5) 2_675 . ?
O3W Tb1 O1W 126.3(5) . . ?
O3 Tb1 O2W 107.9(5) . . ?
O7 Tb1 O2W 140.3(4) . . ?
O2 Tb1 O2W 137.5(4) . . ?
O14 Tb1 O2W 84.8(5) 2_675 . ?
O3W Tb1 O2W 74.7(4) . . ?
O1W Tb1 O2W 71.6(5) . . ?
O3 Tb1 O15 157.3(5) . 2_675 ?
O7 Tb1 O15 78.5(5) . 2_675 ?
O2 Tb1 O15 119.7(4) . 2_675 ?
O14 Tb1 O15 53.3(4) 2_675 2_675 ?
O3W Tb1 O15 81.5(4) . 2_675 ?
O1W Tb1 O15 121.2(5) . 2_675 ?
O2W Tb1 O15 68.6(4) . 2_675 ?
O3 Tb1 C8 174.8(5) . 2_675 ?
O7 Tb1 C8 89.5(5) . 2_675 ?
O2 Tb1 C8 98.2(5) . 2_675 ?
O14 Tb1 C8 26.3(4) 2_675 2_675 ?
O3W Tb1 C8 108.5(5) . 2_675 ?
O1W Tb1 C8 98.9(5) . 2_675 ?
O2W Tb1 C8 71.5(5) . 2_675 ?
O15 Tb1 C8 27.6(4) 2_675 2_675 ?
O11 Tb2 O1 83.7(5) . 1_545 ?
O11 Tb2 O6 75.2(5) . 1_645 ?
O1 Tb2 O6 130.2(5) 1_545 1_645 ?
O11 Tb2 O4W 147.5(5) . . ?
O1 Tb2 O4W 71.3(5) 1_545 . ?
O6 Tb2 O4W 105.2(5) 1_645 . ?
O11 Tb2 O7W 78.9(5) . . ?
O1 Tb2 O7W 145.2(5) 1_545 . ?
O6 Tb2 O7W 73.6(5) 1_645 . ?
O4W Tb2 O7W 133.1(5) . . ?
O11 Tb2 O6W 138.2(5) . . ?
O1 Tb2 O6W 103.9(5) 1_545 . ?
O6 Tb2 O6W 121.9(5) 1_645 . ?
O4W Tb2 O6W 70.1(5) . . ?
O7W Tb2 O6W 71.7(5) . . ?
O11 Tb2 O5W 74.6(5) . . ?
O1 Tb2 O5W 67.9(4) 1_545 . ?
O6 Tb2 O5W 142.0(4) 1_645 . ?
O4W Tb2 O5W 112.7(5) . . ?
O7W Tb2 O5W 78.4(5) . . ?
O6W Tb2 O5W 70.8(4) . . ?
O11 Tb2 O17 76.7(5) . 1_545 ?
O1 Tb2 O17 61.9(4) 1_545 1_545 ?
O6 Tb2 O17 69.5(4) 1_645 1_545 ?
O4W Tb2 O17 73.3(4) . 1_545 ?
O7W Tb2 O17 139.8(5) . 1_545 ?
O6W Tb2 O17 143.4(4) . 1_545 ?
O5W Tb2 O17 124.0(4) . 1_545 ?
O11 Tb2 O5 126.1(5) . 1_645 ?
O1 Tb2 O5 137.6(4) 1_545 1_645 ?
O6 Tb2 O5 52.3(4) 1_645 1_645 ?
O4W Tb2 O5 68.6(5) . 1_645 ?
O7W Tb2 O5 75.9(5) . 1_645 ?
O6W Tb2 O5 74.7(5) . 1_645 ?
O5W Tb2 O5 141.9(4) . 1_645 ?
O17 Tb2 O5 93.5(4) 1_545 1_645 ?
O11 Tb2 C21 101.7(5) . 1_645 ?
O1 Tb2 C21 139.8(5) 1_545 1_645 ?
O6 Tb2 C21 27.0(5) 1_645 1_645 ?
O4W Tb2 C21 85.6(6) . 1_645 ?
O7W Tb2 C21 73.8(5) . 1_645 ?
O6W Tb2 C21 98.1(5) . 1_645 ?
O5W Tb2 C21 152.1(5) . 1_645 ?
O17 Tb2 C21 80.4(5) 1_545 1_645 ?
O5 Tb2 C21 25.4(5) 1_645 1_645 ?
O24 C1 C2 123.1(16) . . ?
O24 C1 C6 114.9(15) . . ?
C2 C1 C6 122.0(14) . . ?
C3 C2 C1 117.0(16) . . ?
C3 C2 H2 121.5 . . ?
C1 C2 H2 121.5 . . ?
C4 C3 C2 124.8(16) . . ?
C4 C3 O17 121.3(15) . . ?
C2 C3 O17 113.8(15) . . ?
C3 C4 C5 116.8(16) . . ?
C3 C4 C11 123.0(15) . . ?
C5 C4 C11 120.0(17) . . ?
C4 C5 C6 124.6(17) . . ?
C4 C5 H5 117.7 . . ?
C6 C5 H5 117.7 . . ?
C5 C6 C1 114.7(16) . . ?
C5 C6 C44 126.9(17) . . ?
C1 C6 C44 118.3(14) . . ?
O24 C7 C8 116.0(14) . . ?
O24 C7 H7A 108.3 . . ?
C8 C7 H7A 108.3 . . ?
O24 C7 H7B 108.3 . . ?
C8 C7 H7B 108.3 . . ?
H7A C7 H7B 107.4 . . ?
O14 C8 O15 123.1(18) . . ?
O14 C8 C7 121.0(16) . . ?
O15 C8 C7 115.8(15) . . ?
O14 C8 Tb1 60.0(10) . 2_675 ?
O15 C8 Tb1 65.3(10) . 2_675 ?
C7 C8 Tb1 162.0(12) . 2_675 ?
O17 C9 C10 107.1(14) . . ?
O17 C9 H9A 110.3 . . ?
C10 C9 H9A 110.3 . . ?
O17 C9 H9B 110.3 . . ?
C10 C9 H9B 110.3 . . ?
H9A C9 H9B 108.5 . . ?
O1 C10 O2 127.2(19) . . ?
O1 C10 C9 116.9(17) . . ?
O2 C10 C9 115.8(16) . . ?
C4 C11 C45 115.4(15) . . ?
C4 C11 C12 112.0(15) . . ?
C45 C11 C12 109.6(14) . . ?
C4 C11 H11 106.4 . . ?
C45 C11 H11 106.4 . . ?
C12 C11 H11 106.4 . . ?
C17 C12 C13 113.2(14) . . ?
C17 C12 C11 122.1(15) . . ?
C13 C12 C11 124.6(15) . . ?
C14 C13 O18 130.7(16) . . ?
C14 C13 C12 123.2(16) . . ?
O18 C13 C12 105.8(13) . . ?
C13 C14 C15 122.6(17) . . ?
C13 C14 H14 118.7 . . ?
C15 C14 H14 118.7 . . ?
C16 C15 O19 117.8(15) . . ?
C16 C15 C14 119.8(16) . . ?
O19 C15 C14 122.4(15) . . ?
C17 C16 C15 117.2(16) . . ?
C17 C16 C22 122.0(15) . . ?
C15 C16 C22 120.7(15) . . ?
C12 C17 C16 123.5(16) . . ?
C12 C17 H17 118.3 . . ?
C16 C17 H17 118.3 . . ?
O18 C18 C19 113.7(14) . . ?
O18 C18 H18A 108.8 . . ?
C19 C18 H18A 108.8 . . ?
O18 C18 H18B 108.8 . . ?
C19 C18 H18B 108.8 . . ?
H18A C18 H18B 107.7 . . ?
O3 C19 O4 128(2) . . ?
O3 C19 C18 119.7(17) . . ?
O4 C19 C18 112.0(17) . . ?
O19 C20 C21 115.6(16) . . ?
O19 C20 H20A 108.4 . . ?
C21 C20 H20A 108.4 . . ?
O19 C20 H20B 108.4 . . ?
C21 C20 H20B 108.4 . . ?
H20A C20 H20B 107.4 . . ?
O5 C21 O6 122.7(19) . . ?
O5 C21 C20 126.4(18) . . ?
O6 C21 C20 110.8(17) . . ?
O5 C21 Tb2 67.1(12) . 1_465 ?
O6 C21 Tb2 55.7(10) . 1_465 ?
C20 C21 Tb2 166.5(13) . 1_465 ?
C50 C22 C16 112.0(15) . . ?
C50 C22 C23 114.2(15) . . ?
C16 C22 C23 110.6(14) . . ?
C50 C22 H22 106.5 . . ?
C16 C22 H22 106.5 . . ?
C23 C22 H22 106.5 . . ?
C24 C23 C28 117.5(15) . . ?
C24 C23 C22 120.9(15) . . ?
C28 C23 C22 121.3(16) . . ?
C23 C24 O20 120.0(15) . . ?
C23 C24 C25 122.4(15) . . ?
O20 C24 C25 117.4(16) . . ?
C26 C25 C24 119.0(16) . . ?
C26 C25 H25 120.5 . . ?
C24 C25 H25 120.5 . . ?
C25 C26 C27 121.5(16) . . ?
C25 C26 O21 121.0(17) . . ?
C27 C26 O21 117.5(16) . . ?
C26 C27 C28 117.9(15) . . ?
C26 C27 C33 117.5(16) . . ?
C28 C27 C33 124.4(17) . . ?
C27 C28 C23 121.2(18) . . ?
C27 C28 H28 119.4 . . ?
C23 C28 H28 119.4 . . ?
O20 C29 C30 114.8(15) . . ?
O20 C29 H29A 108.6 . . ?
C30 C29 H29A 108.6 . . ?
O20 C29 H29B 108.6 . . ?
C30 C29 H29B 108.6 . . ?
H29A C29 H29B 107.5 . . ?
O8 C30 O7 125.3(19) . . ?
O8 C30 C29 124.2(17) . . ?
O7 C30 C29 110.5(17) . . ?
C32 C31 O21 118.1(17) . . ?
C32 C31 H31A 107.8 . . ?
O21 C31 H31A 107.8 . . ?
C32 C31 H31B 107.8 . . ?
O21 C31 H31B 107.8 . . ?
H31A C31 H31B 107.1 . . ?
O9 C32 O16 119(2) . . ?
O9 C32 C31 123(2) . . ?
O16 C32 C31 117.8(17) . . ?
C34 C33 C27 110.1(15) . . ?
C34 C33 C55 110.1(16) . . ?
C27 C33 C55 112.2(16) . . ?
C39 C34 C35 114.9(15) . . ?
C39 C34 C33 123.6(15) . . ?
C35 C34 C33 121.0(16) . . ?
O22 C35 C36 124.4(15) . . ?
O22 C35 C34 114.4(15) . . ?
C36 C35 C34 121.1(16) . . ?
C37 C36 C35 116.5(17) . . ?
C37 C36 H36 121.8 . . ?
C35 C36 H36 121.8 . . ?
C38 C37 C36 128(2) . . ?
C38 C37 O23 112(2) . . ?
C36 C37 O23 116.7(18) . . ?
C37 C38 C39 113.1(18) . . ?
C37 C38 C44 126.0(18) . . ?
C39 C38 C44 120.7(14) . . ?
C38 C39 C34 124.9(15) . . ?
C38 C39 H39 117.5 . . ?
C34 C39 H39 117.5 . . ?
O22 C40 C41 114.3(15) . . ?
O22 C40 H40A 108.7 . . ?
C41 C40 H40A 108.7 . . ?
O22 C40 H40B 108.7 . . ?
C41 C40 H40B 108.7 . . ?
H40A C40 H40B 107.6 . . ?
O10 C41 O11 125(2) . . ?
O10 C41 C40 120.4(17) . . ?
O11 C41 C40 114.1(18) . . ?
O23 C42 C43 116(2) . . ?
O23 C42 H42A 108.4 . . ?
C43 C42 H42A 108.4 . . ?
O23 C42 H42B 108.4 . . ?
C43 C42 H42B 108.4 . . ?
H42A C42 H42B 107.4 . . ?
O12 C43 O13 124(3) . . ?
O12 C43 C42 119(3) . . ?
O13 C43 C42 117(2) . . ?
C38 C44 C6 114.7(15) . . ?
C38 C44 C59 108.9(15) . . ?
C6 C44 C59 114.1(15) . . ?
C38 C44 H44 106.2 . . ?
C6 C44 H44 106.2 . . ?
C59 C44 H44 106.2 . . ?
C46 C45 C11 117.7(18) . . ?
C46 C45 H45A 107.9 . . ?
C11 C45 H45A 107.9 . . ?
C46 C45 H45B 107.9 . . ?
C11 C45 H45B 107.9 . . ?
H45A C45 H45B 107.2 . . ?
C47 C46 C45 113(3) . . ?
C47 C46 H46A 108.9 . . ?
C45 C46 H46A 108.9 . . ?
C47 C46 H46B 108.9 . . ?
C45 C46 H46B 108.9 . . ?
H46A C46 H46B 107.7 . . ?
C46 C47 C48 116(3) . . ?
C46 C47 H47A 108.3 . . ?
C48 C47 H47A 108.3 . . ?
C46 C47 H47B 108.3 . . ?
C48 C47 H47B 108.3 . . ?
H47A C47 H47B 107.4 . . ?
C47 C48 C49 118(4) . . ?
C47 C48 H48A 107.7 . . ?
C49 C48 H48A 107.7 . . ?
C47 C48 H48B 107.7 . . ?
C49 C48 H48B 107.7 . . ?
H48A C48 H48B 107.1 . . ?
C48 C49 H49A 109.5 . . ?
C48 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C48 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C51 C50 C22 113.1(17) . . ?
C51 C50 H50A 109.0 . . ?
C22 C50 H50A 109.0 . . ?
C51 C50 H50B 109.0 . . ?
C22 C50 H50B 109.0 . . ?
H50A C50 H50B 107.8 . . ?
C50 C51 C52 114(2) . . ?
C50 C51 H51A 108.8 . . ?
C52 C51 H51A 108.8 . . ?
C50 C51 H51B 108.8 . . ?
C52 C51 H51B 108.8 . . ?
H51A C51 H51B 107.7 . . ?
C53 C52 C51 116(3) . . ?
C53 C52 H52A 108.3 . . ?
C51 C52 H52A 108.3 . . ?
C53 C52 H52B 108.3 . . ?
C51 C52 H52B 108.3 . . ?
H52A C52 H52B 107.4 . . ?
C54 C53 C52 122(5) . . ?
C54 C53 H53A 106.9 . . ?
C52 C53 H53A 106.9 . . ?
C54 C53 H53B 106.9 . . ?
C52 C53 H53B 106.9 . . ?
H53A C53 H53B 106.7 . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C56 C55 C33 113(3) . . ?
C56 C55 H55A 108.9 . . ?
C33 C55 H55A 108.9 . . ?
C56 C55 H55B 108.9 . . ?
C33 C55 H55B 108.9 . . ?
H55A C55 H55B 107.7 . . ?
C55 C56 C57 115(4) . . ?
C55 C56 H56A 108.4 . . ?
C57 C56 H56A 108.4 . . ?
C55 C56 H56B 108.4 . . ?
C57 C56 H56B 108.4 . . ?
H56A C56 H56B 107.5 . . ?
C58 C57 C56 110(5) . . ?
C58 C57 H57A 109.6 . . ?
C56 C57 H57A 109.6 . . ?
C58 C57 H57B 109.6 . . ?
C56 C57 H57B 109.6 . . ?
H57A C57 H57B 108.1 . . ?
C57 C58 C64 98(5) . . ?
C57 C58 H58A 112.2 . . ?
C64 C58 H58A 112.2 . . ?
C57 C58 H58B 112.2 . . ?
C64 C58 H58B 112.2 . . ?
H58A C58 H58B 109.8 . . ?
C60 C59 C44 110(2) . . ?
C60 C59 H59A 109.6 . . ?
C44 C59 H59A 109.6 . . ?
C60 C59 H59B 109.6 . . ?
C44 C59 H59B 109.6 . . ?
H59A C59 H59B 108.1 . . ?
C59 C60 C61 113(3) . . ?
C62 C61 C60 99(3) . . ?
C62 C61 H61A 112.0 . . ?
C60 C61 H61A 112.0 . . ?
C62 C61 H61B 112.0 . . ?
C60 C61 H61B 112.0 . . ?
H61A C61 H61B 109.6 . . ?
C61 C62 C63 86(5) . . ?
C62 C63 H63A 109.5 . . ?
C62 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C62 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C58 C64 H64A 109.5 . . ?
C58 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C58 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
N1 C65 H65A 109.5 . . ?
N1 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
N1 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
N1 C66 H66A 109.5 . . ?
N1 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
N1 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C65 N1 C66 109(2) . . ?
C10 O1 Tb2 132.6(13) . 1_565 ?
C10 O2 Tb1 141.8(12) . . ?
C19 O3 Tb1 138.9(15) . . ?
C21 O5 Tb2 87.6(12) . 1_465 ?
C21 O6 Tb2 97.3(12) . 1_465 ?
C30 O7 Tb1 135.2(11) . . ?
C32 O9 H9 109.5 . . ?
C41 O11 Tb2 143.0(15) . . ?
C8 O14 Tb1 93.7(11) . 2_675 ?
C8 O15 Tb1 87.1(10) . 2_675 ?
C9 O17 C3 112.8(12) . . ?
C9 O17 Tb2 121.4(10) . 1_565 ?
C3 O17 Tb2 123.7(9) . 1_565 ?
C18 O18 C13 109.8(12) . . ?
C15 O19 C20 118.5(13) . . ?
C24 O20 C29 114.7(15) . . ?
C26 O21 C31 115.2(15) . . ?
C35 O22 C40 118.8(13) . . ?
C42 O23 C37 120.6(16) . . ?
C1 O24 C7 117.3(14) . . ?

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
O24 C1 C2 C3 175.2(15) . . . . ?
C6 C1 C2 C3 -2(2) . . . . ?
C1 C2 C3 C4 4(3) . . . . ?
C1 C2 C3 O17 -171.7(14) . . . . ?
C2 C3 C4 C5 -3(3) . . . . ?
O17 C3 C4 C5 172.5(15) . . . . ?
C2 C3 C4 C11 -177.4(15) . . . . ?
O17 C3 C4 C11 -2(3) . . . . ?
C3 C4 C5 C6 0(3) . . . . ?
C11 C4 C5 C6 174.2(16) . . . . ?
C4 C5 C6 C1 2(3) . . . . ?
C4 C5 C6 C44 -173.1(17) . . . . ?
O24 C1 C6 C5 -178.3(15) . . . . ?
C2 C1 C6 C5 -1(2) . . . . ?
O24 C1 C6 C44 -3(2) . . . . ?
C2 C1 C6 C44 174.8(15) . . . . ?
O24 C7 C8 O14 16(2) . . . . ?
O24 C7 C8 O15 -166.5(14) . . . . ?
O24 C7 C8 Tb1 104(4) . . . 2_675 ?
O17 C9 C10 O1 3(2) . . . . ?
O17 C9 C10 O2 -174.2(15) . . . . ?
C3 C4 C11 C45 135.6(18) . . . . ?
C5 C4 C11 C45 -38(2) . . . . ?
C3 C4 C11 C12 -98(2) . . . . ?
C5 C4 C11 C12 88(2) . . . . ?
C4 C11 C12 C17 -47(2) . . . . ?
C45 C11 C12 C17 82(2) . . . . ?
C4 C11 C12 C13 137.1(17) . . . . ?
C45 C11 C12 C13 -94(2) . . . . ?
C17 C12 C13 C14 -6(3) . . . . ?
C11 C12 C13 C14 170.4(18) . . . . ?
C17 C12 C13 O18 -180.0(15) . . . . ?
C11 C12 C13 O18 -4(2) . . . . ?
O18 C13 C14 C15 -179.9(17) . . . . ?
C12 C13 C14 C15 7(3) . . . . ?
C13 C14 C15 C16 -3(3) . . . . ?
C13 C14 C15 O19 176.2(18) . . . . ?
O19 C15 C16 C17 177.3(16) . . . . ?
C14 C15 C16 C17 -4(3) . . . . ?
O19 C15 C16 C22 1(3) . . . . ?
C14 C15 C16 C22 179.5(17) . . . . ?
C13 C12 C17 C16 -1(3) . . . . ?
C11 C12 C17 C16 -177.2(17) . . . . ?
C15 C16 C17 C12 5(3) . . . . ?
C22 C16 C17 C12 -178.2(17) . . . . ?
O18 C18 C19 O3 17(2) . . . . ?
O18 C18 C19 O4 -167.6(15) . . . . ?
O19 C20 C21 O5 17(3) . . . . ?
O19 C20 C21 O6 -166.8(15) . . . . ?
O19 C20 C21 Tb2 -166(5) . . . 1_465 ?
C17 C16 C22 C50 -76(2) . . . . ?
C15 C16 C22 C50 101(2) . . . . ?
C17 C16 C22 C23 53(2) . . . . ?
C15 C16 C22 C23 -130.4(18) . . . . ?
C50 C22 C23 C24 -167.1(17) . . . . ?
C16 C22 C23 C24 65(2) . . . . ?
C50 C22 C23 C28 8(2) . . . . ?
C16 C22 C23 C28 -120.0(18) . . . . ?
C28 C23 C24 O20 177.0(15) . . . . ?
C22 C23 C24 O20 -8(3) . . . . ?
C28 C23 C24 C25 -8(3) . . . . ?
C22 C23 C24 C25 167.3(16) . . . . ?
C23 C24 C25 C26 7(3) . . . . ?
O20 C24 C25 C26 -177.3(16) . . . . ?
C24 C25 C26 C27 -4(3) . . . . ?
C24 C25 C26 O21 179.2(17) . . . . ?
C25 C26 C27 C28 1(3) . . . . ?
O21 C26 C27 C28 178.3(16) . . . . ?
C25 C26 C27 C33 176.5(17) . . . . ?
O21 C26 C27 C33 -6(3) . . . . ?
C26 C27 C28 C23 -2(3) . . . . ?
C33 C27 C28 C23 -176.6(16) . . . . ?
C24 C23 C28 C27 5(3) . . . . ?
C22 C23 C28 C27 -170.1(15) . . . . ?
O20 C29 C30 O8 16(3) . . . . ?
O20 C29 C30 O7 -165.6(15) . . . . ?
O21 C31 C32 O9 150.5(18) . . . . ?
O21 C31 C32 O16 -37(3) . . . . ?
C26 C27 C33 C34 -84(2) . . . . ?
C28 C27 C33 C34 91(2) . . . . ?
C26 C27 C33 C55 153.2(17) . . . . ?
C28 C27 C33 C55 -32(2) . . . . ?
C27 C33 C34 C39 -43(3) . . . . ?
C55 C33 C34 C39 81(2) . . . . ?
C27 C33 C34 C35 144.4(18) . . . . ?
C55 C33 C34 C35 -91(2) . . . . ?
C39 C34 C35 O22 -178.3(17) . . . . ?
C33 C34 C35 O22 -5(3) . . . . ?
C39 C34 C35 C36 4(3) . . . . ?
C33 C34 C35 C36 177.5(19) . . . . ?
O22 C35 C36 C37 -175(2) . . . . ?
C34 C35 C36 C37 2(3) . . . . ?
C35 C36 C37 C38 -14(4) . . . . ?
C35 C36 C37 O23 -171(2) . . . . ?
C36 C37 C38 C39 17(4) . . . . ?
O23 C37 C38 C39 175.2(18) . . . . ?
C36 C37 C38 C44 -168(2) . . . . ?
O23 C37 C38 C44 -10(3) . . . . ?
C37 C38 C39 C34 -9(3) . . . . ?
C44 C38 C39 C34 175.9(18) . . . . ?
C35 C34 C39 C38 -1(3) . . . . ?
C33 C34 C39 C38 -173.6(19) . . . . ?
O22 C40 C41 O10 4(3) . . . . ?
O22 C40 C41 O11 180.0(15) . . . . ?
O23 C42 C43 O12 159(2) . . . . ?
O23 C42 C43 O13 -22(3) . . . . ?
C37 C38 C44 C6 -116(2) . . . . ?
C39 C38 C44 C6 58(2) . . . . ?
C37 C38 C44 C59 115(2) . . . . ?
C39 C38 C44 C59 -71(2) . . . . ?
C5 C6 C44 C38 -113(2) . . . . ?
C1 C6 C44 C38 72(2) . . . . ?
C5 C6 C44 C59 14(3) . . . . ?
C1 C6 C44 C59 -161.3(17) . . . . ?
C4 C11 C45 C46 -58(2) . . . . ?
C12 C11 C45 C46 174.5(17) . . . . ?
C11 C45 C46 C47 168(3) . . . . ?
C45 C46 C47 C48 -169(4) . . . . ?
C46 C47 C48 C49 -173(4) . . . . ?
C16 C22 C50 C51 -61(2) . . . . ?
C23 C22 C50 C51 172.5(17) . . . . ?
C22 C50 C51 C52 177(2) . . . . ?
C50 C51 C52 C53 -176(3) . . . . ?
C51 C52 C53 C54 179(4) . . . . ?
C34 C33 C55 C56 169(3) . . . . ?
C27 C33 C55 C56 -68(3) . . . . ?
C33 C55 C56 C57 170(4) . . . . ?
C55 C56 C57 C58 -171(4) . . . . ?
C56 C57 C58 C64 -36(7) . . . . ?
C38 C44 C59 C60 -58(2) . . . . ?
C6 C44 C59 C60 173(2) . . . . ?
C44 C59 C60 C61 173(3) . . . . ?
C59 C60 C61 C62 -88(4) . . . . ?
C60 C61 C62 C63 -169(4) . . . . ?
O2 C10 O1 Tb2 174.5(13) . . . 1_565 ?
C9 C10 O1 Tb2 -3(3) . . . 1_565 ?
O1 C10 O2 Tb1 153.3(15) . . . . ?
C9 C10 O2 Tb1 -30(3) . . . . ?
O3 Tb1 O2 C10 -34.2(19) . . . . ?
O7 Tb1 O2 C10 62.4(19) . . . . ?
O14 Tb1 O2 C10 159.2(19) 2_675 . . . ?
O3W Tb1 O2 C10 11(2) . . . . ?
O1W Tb1 O2 C10 -113.4(19) . . . . ?
O2W Tb1 O2 C10 -138.4(18) . . . . ?
O15 Tb1 O2 C10 131.6(18) 2_675 . . . ?
C8 Tb1 O2 C10 150.1(19) 2_675 . . . ?
O4 C19 O3 Tb1 -8(3) . . . . ?
C18 C19 O3 Tb1 166.5(13) . . . . ?
O7 Tb1 O3 C19 156.6(19) . . . . ?
O2 Tb1 O3 C19 -126(2) . . . . ?
O14 Tb1 O3 C19 -101(2) 2_675 . . . ?
O3W Tb1 O3 C19 78.7(19) . . . . ?
O1W Tb1 O3 C19 -55.0(19) . . . . ?
O2W Tb1 O3 C19 10(2) . . . . ?
O15 Tb1 O3 C19 87(2) 2_675 . . . ?
C8 Tb1 O3 C19 -72(6) 2_675 . . . ?
O6 C21 O5 Tb2 3.2(18) . . . 1_465 ?
C20 C21 O5 Tb2 179.3(18) . . . 1_465 ?
O5 C21 O6 Tb2 -4(2) . . . 1_465 ?
C20 C21 O6 Tb2 179.8(12) . . . 1_465 ?
O8 C30 O7 Tb1 -99(2) . . . . ?
C29 C30 O7 Tb1 82(2) . . . . ?
O3 Tb1 O7 C30 -88.1(19) . . . . ?
O2 Tb1 O7 C30 -165.7(19) . . . . ?
O14 Tb1 O7 C30 121.8(18) 2_675 . . . ?
O3W Tb1 O7 C30 -13.1(18) . . . . ?
O1W Tb1 O7 C30 -158.4(17) . . . . ?
O2W Tb1 O7 C30 36(2) . . . . ?
O15 Tb1 O7 C30 70.3(18) 2_675 . . . ?
C8 Tb1 O7 C30 95.8(19) 2_675 . . . ?
O10 C41 O11 Tb2 0(4) . . . . ?
C40 C41 O11 Tb2 -175.1(14) . . . . ?
O1 Tb2 O11 C41 49(2) 1_545 . . . ?
O6 Tb2 O11 C41 -177(2) 1_645 . . . ?
O4W Tb2 O11 C41 88(2) . . . . ?
O7W Tb2 O11 C41 -101(2) . . . . ?
O6W Tb2 O11 C41 -55(2) . . . . ?
O5W Tb2 O11 C41 -20(2) . . . . ?
O17 Tb2 O11 C41 111(2) 1_545 . . . ?
O5 Tb2 O11 C41 -164(2) 1_645 . . . ?
C21 Tb2 O11 C41 -172(2) 1_645 . . . ?
O15 C8 O14 Tb1 -17.9(18) . . . 2_675 ?
C7 C8 O14 Tb1 159.1(14) . . . 2_675 ?
O14 C8 O15 Tb1 17.0(17) . . . 2_675 ?
C7 C8 O15 Tb1 -160.1(13) . . . 2_675 ?
C10 C9 O17 C3 160.9(14) . . . . ?
C10 C9 O17 Tb2 -2.8(19) . . . 1_565 ?
C4 C3 O17 C9 85(2) . . . . ?
C2 C3 O17 C9 -99.2(17) . . . . ?
C4 C3 O17 Tb2 -112.2(16) . . . 1_565 ?
C2 C3 O17 Tb2 64.0(16) . . . 1_565 ?
C19 C18 O18 C13 62.8(18) . . . . ?
C14 C13 O18 C18 12(3) . . . . ?
C12 C13 O18 C18 -174.7(13) . . . . ?
C16 C15 O19 C20 -151.6(17) . . . . ?
C14 C15 O19 C20 30(3) . . . . ?
C21 C20 O19 C15 -93(2) . . . . ?
C23 C24 O20 C29 -97.1(19) . . . . ?
C25 C24 O20 C29 87(2) . . . . ?
C30 C29 O20 C24 -103(2) . . . . ?
C25 C26 O21 C31 46(3) . . . . ?
C27 C26 O21 C31 -130.8(19) . . . . ?
C32 C31 O21 C26 -95(2) . . . . ?
C36 C35 O22 C40 -12(3) . . . . ?
C34 C35 O22 C40 170.9(16) . . . . ?
C41 C40 O22 C35 84(2) . . . . ?
C43 C42 O23 C37 -68(3) . . . . ?
C38 C37 O23 C42 -165(2) . . . . ?
C36 C37 O23 C42 -5(3) . . . . ?
C2 C1 O24 C7 -32(2) . . . . ?
C6 C1 O24 C7 145.6(15) . . . . ?
C8 C7 O24 C1 88.2(19) . . . . ?

_diffrn_measured_fraction_theta_max 0.820
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.972
_refine_diff_density_max         5.055
_refine_diff_density_min         -1.999
_refine_diff_density_rms         0.267



_chemical_properties_physical    Light-sensitive
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Compound-3
_database_code_depnum_ccdc_archive 'CCDC 1581289'
_audit_update_record             
;
2017-10-22 deposited with the CCDC.
2019-01-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        3
_chemical_name_common            Resorcin[4]arene-Gd
_chemical_melting_point          ?
_chemical_formula_moiety         'C66 H94 Gd2 N O33'
_chemical_formula_sum            'C66 H94 Gd2 N O33'
_chemical_formula_weight         1743.92

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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.573(5)
_cell_length_b                   14.796(5)
_cell_length_c                   22.058(5)
_cell_angle_alpha                97.762(5)
_cell_angle_beta                 92.518(5)
_cell_angle_gamma                98.243(5)
_cell_volume                     3696(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2768
_cell_measurement_theta_min      2.8605
_cell_measurement_theta_max      29.2386

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.567
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1778
_exptl_absorpt_coefficient_mu    1.867
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.91088
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlis (Oxford Diffraction, 2006) 
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_diffrn_detector_area_resol_mean 10.0
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            26325
_diffrn_reflns_av_R_equivalents  0.1271
_diffrn_reflns_av_sigmaI/netI    0.3411
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.87
_diffrn_reflns_theta_max         29.30
_reflns_number_total             16646
_reflns_number_gt                6488
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_cell_refinement       CrysAlis
_computing_data_reduction        CrysAlis
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0001P)²+115.6673P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         16646
_refine_ls_number_parameters     919
_refine_ls_number_restraints     470
_refine_ls_R_factor_all          0.2834
_refine_ls_R_factor_gt           0.1594
_refine_ls_wR_factor_ref         0.3434
_refine_ls_wR_factor_gt          0.2768
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Gd1 Gd -0.19771(8) 0.34153(7) 0.52577(6) 0.0269(3) Uani 1 1 d . . .
Gd2 Gd 0.27193(9) 0.26641(7) 0.63614(6) 0.0312(3) Uani 1 1 d . . .
C1 C -0.100(2) 0.4058(15) 0.7533(11) 0.040(6) Uani 1 1 d U . .
H1 H -0.0555 0.3592 0.7426 0.047 Uiso 1 1 calc R . .
C2 C -0.0449(19) 0.4964(14) 0.7697(11) 0.034(5) Uani 1 1 d U . .
C3 C -0.1097(19) 0.5659(14) 0.7857(11) 0.032(5) Uani 1 1 d U . .
C4 C -0.2307(18) 0.5407(13) 0.7868(11) 0.032(5) Uani 1 1 d . . .
H4 H -0.2748 0.5877 0.7972 0.038 Uiso 1 1 calc R . .
C5 C -0.2880(17) 0.4547(15) 0.7741(11) 0.032(5) Uani 1 1 d . . .
C6 C -0.2084(16) 0.3863(12) 0.7528(9) 0.021(4) Uani 1 1 d U . .
C7 C 0.1732(19) 0.3915(14) 0.7225(11) 0.032(5) Uani 1 1 d U . .
C8 C 0.1453(17) 0.4564(18) 0.7774(10) 0.041(6) Uani 1 1 d . . .
H8A H 0.1080 0.4193 0.8061 0.049 Uiso 1 1 calc R . .
H8B H 0.2187 0.4890 0.7974 0.049 Uiso 1 1 calc R . .
C9 C -0.1627(17) 0.2451(13) 0.6521(9) 0.022(4) Uani 1 1 d U . .
C10 C -0.2099(19) 0.2288(14) 0.7134(11) 0.036(5) Uani 1 1 d U . .
H10A H -0.2590 0.1690 0.7082 0.043 Uiso 1 1 calc R . .
H10B H -0.1447 0.2266 0.7420 0.043 Uiso 1 1 calc R . .
C11 C -0.1503(18) 0.7880(14) 0.6678(11) 0.031(5) Uani 1 1 d U . .
H11 H -0.1460 0.7817 0.6254 0.038 Uiso 1 1 calc R . .
C12 C -0.1138(19) 0.7259(14) 0.7002(11) 0.034(5) Uani 1 1 d U . .
C13 C -0.1138(17) 0.7306(12) 0.7662(10) 0.023(4) Uani 1 1 d U . .
C14 C -0.1611(16) 0.8061(12) 0.7933(11) 0.029(5) Uani 1 1 d . . .
H14 H -0.1637 0.8143 0.8357 0.035 Uiso 1 1 calc R . .
C15 C -0.2063(15) 0.8723(12) 0.7606(9) 0.019(4) Uani 1 1 d U . .
C16 C -0.195(2) 0.8629(15) 0.6994(11) 0.037(5) Uani 1 1 d U . .
C17 C -0.1868(19) 0.5642(15) 0.5777(11) 0.036(5) Uani 1 1 d U . .
C18 C -0.156(2) 0.5712(15) 0.6436(11) 0.040(6) Uani 1 1 d U . .
H18A H -0.2267 0.5737 0.6654 0.048 Uiso 1 1 calc R . .
H18B H -0.1259 0.5155 0.6511 0.048 Uiso 1 1 calc R . .
C19 C -0.1585(19) 0.9658(14) 0.6254(11) 0.034(5) Uani 1 1 d U . .
H19A H -0.1687 1.0298 0.6258 0.040 Uiso 1 1 calc R . .
H19B H -0.0790 0.9652 0.6411 0.040 Uiso 1 1 calc R . .
C20 C -0.171(2) 0.9230(15) 0.5649(11) 0.036(5) Uani 1 1 d U . .
C21 C -0.6169(16) 0.5324(12) 0.6796(10) 0.024(4) Uani 1 1 d U . .
H21 H -0.6487 0.5191 0.6394 0.028 Uiso 1 1 calc R . .
C22 C -0.5492(17) 0.4771(13) 0.7016(10) 0.027(4) Uani 1 1 d U . .
C23 C -0.4920(18) 0.4971(13) 0.7603(10) 0.029(5) Uani 1 1 d U . .
C24 C -0.5107(16) 0.5754(12) 0.7951(9) 0.022(4) Uani 1 1 d U . .
H24 H -0.4723 0.5909 0.8339 0.026 Uiso 1 1 calc R . .
C25 C -0.5850(17) 0.6344(13) 0.7759(10) 0.026(4) Uani 1 1 d U . .
C26 C -0.6393(16) 0.6095(12) 0.7171(10) 0.023(4) Uani 1 1 d . . .
C27 C -0.4439(19) 0.3915(14) 0.6293(11) 0.036(5) Uani 1 1 d U . .
C28 C -0.4751(19) 0.3201(14) 0.5774(11) 0.032(5) Uani 1 1 d U . .
C29 C -0.8101(15) 0.6314(14) 0.6604(11) 0.031(5) Uani 1 1 d . . .
H29A H -0.8719 0.6679 0.6696 0.037 Uiso 1 1 calc R . .
H29B H -0.8361 0.5701 0.6702 0.037 Uiso 1 1 calc R . .
C30 C -0.7941(17) 0.6239(13) 0.5942(10) 0.023(4) Uani 1 1 d U . .
C31 C -0.5938(17) 0.9538(13) 0.7726(10) 0.028(4) Uani 1 1 d U . .
H31 H -0.6450 0.9948 0.7653 0.033 Uiso 1 1 calc R . .
C32 C -0.469(2) 0.9806(15) 0.7738(12) 0.042(6) Uani 1 1 d . . .
C33 C -0.3955(18) 0.9214(14) 0.7848(10) 0.030(5) Uani 1 1 d U . .
C34 C -0.4475(18) 0.8342(14) 0.7978(10) 0.031(5) Uani 1 1 d U . .
H34 H -0.3985 0.7927 0.8072 0.037 Uiso 1 1 calc R . .
C35 C -0.5686(17) 0.8068(13) 0.7974(10) 0.026(4) Uani 1 1 d U . .
C36 C -0.633(2) 0.869(2) 0.7822(15) 0.061(7) Uani 1 1 d U . .
C37 C -0.553(2) 1.1364(15) 0.7004(12) 0.035(5) Uani 1 1 d U . .
C38 C -0.4934(17) 1.1390(13) 0.7615(10) 0.026(4) Uani 1 1 d U . .
H38A H -0.4454 1.1988 0.7728 0.031 Uiso 1 1 calc R . .
H38B H -0.5519 1.1328 0.7914 0.031 Uiso 1 1 calc R . .
C39 C -0.853(3) 0.934(2) 0.7219(17) 0.070(9) Uani 1 1 d U . .
C40 C -0.830(2) 0.9067(16) 0.7850(12) 0.047(6) Uani 1 1 d U . .
H40A H -0.7961 0.9614 0.8130 0.057 Uiso 1 1 calc R . .
H40B H -0.9039 0.8829 0.8000 0.057 Uiso 1 1 calc R . .
C41 C -0.0513(17) 0.6697(12) 0.8005(9) 0.022(4) Uani 1 1 d U . .
H41 H 0.0275 0.6729 0.7857 0.027 Uiso 1 1 calc R . .
C42 C -0.0365(17) 0.6981(14) 0.8681(10) 0.029(5) Uani 1 1 d . . .
H42A H -0.1129 0.6921 0.8848 0.034 Uiso 1 1 calc R . .
H42B H -0.0023 0.7627 0.8764 0.034 Uiso 1 1 calc R . .
C43 C 0.040(2) 0.6423(18) 0.9005(14) 0.059(8) Uani 1 1 d . . .
H43A H 0.0060 0.5777 0.8923 0.071 Uiso 1 1 calc R . .
H43B H 0.1166 0.6487 0.8842 0.071 Uiso 1 1 calc R . .
C44 C 0.052(3) 0.672(2) 0.9680(13) 0.071(10) Uani 1 1 d . . .
H44A H -0.0247 0.6666 0.9839 0.086 Uiso 1 1 calc R . .
H44B H 0.0864 0.7370 0.9759 0.086 Uiso 1 1 calc R . .
C45 C 0.128(3) 0.618(3) 1.0025(16) 0.092(12) Uani 1 1 d . . .
H45A H 0.1020 0.5527 0.9883 0.110 Uiso 1 1 calc R . .
H45B H 0.2076 0.6322 0.9914 0.110 Uiso 1 1 calc R . .
C46 C 0.127(4) 0.632(3) 1.069(3) 0.151(17) Uani 1 1 d U . .
H46A H 0.1777 0.5941 1.0853 0.226 Uiso 1 1 calc R . .
H46B H 0.0493 0.6160 1.0806 0.226 Uiso 1 1 calc R . .
H46C H 0.1553 0.6958 1.0837 0.226 Uiso 1 1 calc R . .
C47 C -0.2661(16) 0.9500(13) 0.7903(10) 0.024(4) Uani 1 1 d U . .
H47 H -0.2478 1.0028 0.7681 0.029 Uiso 1 1 calc R . .
C48 C -0.221(2) 0.9812(18) 0.8591(13) 0.055(7) Uani 1 1 d U . .
H48A H -0.2710 1.0219 0.8791 0.067 Uiso 1 1 calc R . .
H48B H -0.2235 0.9278 0.8803 0.067 Uiso 1 1 calc R . .
C49 C -0.097(3) 1.031(3) 0.8622(19) 0.102(10) Uani 1 1 d DU . .
H49A H -0.0502 0.9941 0.8365 0.123 Uiso 1 1 calc R . .
H49B H -0.0967 1.0892 0.8463 0.123 Uiso 1 1 calc R . .
C50 C -0.042(4) 1.050(4) 0.9266(17) 0.183(13) Uani 1 1 d DU . .
H50A H -0.0506 0.9925 0.9440 0.220 Uiso 1 1 calc R . .
H50B H -0.0838 1.0924 0.9512 0.220 Uiso 1 1 calc R . .
C51 C 0.085(4) 1.090(4) 0.929(3) 0.250(17) Uani 1 1 d DU . .
H51A H 0.1089 1.1234 0.9696 0.300 Uiso 1 1 calc R . .
H51B H 0.1316 1.0398 0.9220 0.300 Uiso 1 1 calc R . .
C52 C 0.110(5) 1.153(5) 0.882(4) 0.325(17) Uani 1 1 d DU . .
H52A H 0.1918 1.1777 0.8847 0.488 Uiso 1 1 calc R . .
H52B H 0.0653 1.2033 0.8890 0.488 Uiso 1 1 calc R . .
H52C H 0.0884 1.1199 0.8416 0.488 Uiso 1 1 calc R . .
C53 C -0.4206(16) 0.4268(15) 0.7822(12) 0.039(6) Uani 1 1 d . . .
H53 H -0.4468 0.3670 0.7569 0.047 Uiso 1 1 calc R . .
C54 C -0.4350(19) 0.4147(15) 0.8489(11) 0.037(5) Uani 1 1 d U . .
H54A H -0.3859 0.3706 0.8597 0.044 Uiso 1 1 calc R . .
H54B H -0.4072 0.4732 0.8744 0.044 Uiso 1 1 calc R . .
C55 C -0.558(3) 0.382(2) 0.8637(15) 0.065(8) Uani 1 1 d U . .
H55A H -0.6099 0.4217 0.8486 0.078 Uiso 1 1 calc R . .
H55B H -0.5833 0.3200 0.8429 0.078 Uiso 1 1 calc R . .
C56 C -0.568(3) 0.384(3) 0.931(2) 0.105(10) Uani 1 1 d DU . .
H56A H -0.5284 0.4426 0.9522 0.126 Uiso 1 1 calc R . .
H56B H -0.5290 0.3357 0.9444 0.126 Uiso 1 1 calc R . .
C57 C -0.693(3) 0.370(4) 0.949(2) 0.159(15) Uani 1 1 d DU . .
H57A H -0.7331 0.3131 0.9259 0.191 Uiso 1 1 calc R . .
H57B H -0.7307 0.4201 0.9366 0.191 Uiso 1 1 calc R . .
C58 C -0.705(4) 0.368(4) 1.016(2) 0.18(3) Uani 1 1 d D . .
H58A H -0.7868 0.3589 1.0237 0.274 Uiso 1 1 calc R . .
H58B H -0.6674 0.4248 1.0388 0.274 Uiso 1 1 calc R . .
H58C H -0.6698 0.3176 1.0281 0.274 Uiso 1 1 calc R . .
C59 C -0.6138(18) 0.7193(12) 0.8173(10) 0.028(5) Uani 1 1 d . . .
H59 H -0.6992 0.7149 0.8133 0.034 Uiso 1 1 calc R . .
C60 C -0.584(2) 0.7186(17) 0.8841(11) 0.045(6) Uani 1 1 d U . .
H60A H -0.4997 0.7291 0.8919 0.055 Uiso 1 1 calc R . .
H60B H -0.6139 0.6588 0.8952 0.055 Uiso 1 1 calc R . .
C61 C -0.637(3) 0.793(2) 0.9227(14) 0.076(9) Uani 1 1 d DU . .
H61A H -0.7214 0.7782 0.9187 0.091 Uiso 1 1 calc R . .
H61B H -0.6151 0.8516 0.9078 0.091 Uiso 1 1 calc R . .
C62 C -0.594(4) 0.802(3) 0.991(2) 0.146(13) Uani 1 1 d U . .
H62A H -0.6480 0.8329 1.0159 0.176 Uiso 1 1 calc R . .
H62B H -0.5949 0.7411 1.0023 0.176 Uiso 1 1 calc R . .
C63 C -0.477(4) 0.854(4) 1.004(2) 0.196(18) Uani 1 1 d DU . .
H63A H -0.4632 0.9033 0.9794 0.235 Uiso 1 1 calc R . .
H63B H -0.4177 0.8141 0.9977 0.235 Uiso 1 1 calc R . .
C64 C -0.483(7) 0.894(6) 1.078(4) 0.31(2) Uani 1 1 d U . .
H64A H -0.4094 0.9306 1.0932 0.458 Uiso 1 1 calc R . .
H64B H -0.4991 0.8436 1.1010 0.458 Uiso 1 1 calc R . .
H64C H -0.5439 0.9319 1.0828 0.458 Uiso 1 1 calc R . .
C65 C -0.448(3) 0.7177(19) 0.6108(15) 0.066(8) Uani 1 1 d U . .
H65A H -0.4132 0.6746 0.5837 0.099 Uiso 1 1 calc R . .
H65B H -0.5170 0.6862 0.6260 0.099 Uiso 1 1 calc R . .
H65C H -0.3933 0.7444 0.6446 0.099 Uiso 1 1 calc R . .
C66 C -0.533(3) 0.854(2) 0.6217(16) 0.073(9) Uani 1 1 d U . .
H66A H -0.5566 0.9043 0.6035 0.109 Uiso 1 1 calc R . .
H66B H -0.4761 0.8776 0.6552 0.109 Uiso 1 1 calc R . .
H66C H -0.5998 0.8194 0.6366 0.109 Uiso 1 1 calc R . .
N1 N -0.4817(16) 0.7941(12) 0.5761(10) 0.041(5) Uani 1 1 d . . .
O1 O 0.2568(13) 0.3471(11) 0.7360(8) 0.045(4) Uani 1 1 d . . .
O2 O 0.1237(16) 0.3798(11) 0.6701(8) 0.054(5) Uani 1 1 d . . .
O3 O -0.0850(14) 0.1973(10) 0.6372(8) 0.044(4) Uani 1 1 d . . .
O4 O -0.2004(13) 0.3017(9) 0.6234(8) 0.042(4) Uani 1 1 d . . .
O5 O 0.0740(12) 0.5217(9) 0.7662(7) 0.032(3) Uani 1 1 d U . .
O6 O -0.2775(12) 0.2984(9) 0.7399(7) 0.035(4) Uani 1 1 d U . .
O7 O -0.2469(13) 0.4850(10) 0.5547(7) 0.038(4) Uani 1 1 d U . .
O8 O -0.1603(14) 0.6276(11) 0.5480(8) 0.047(5) Uani 1 1 d . . .
O9 O -0.0947(13) 0.9181(12) 0.5297(8) 0.053(5) Uani 1 1 d . . .
H9 H -0.0323 0.9445 0.5469 0.080 Uiso 1 1 calc R . .
O10 O -0.2802(16) 0.8942(12) 0.5388(9) 0.056(5) Uani 1 1 d U . .
O11 O -0.0701(12) 0.6505(9) 0.6690(7) 0.035(4) Uani 1 1 d U . .
O12 O -0.2353(15) 0.9269(12) 0.6652(8) 0.051(5) Uani 1 1 d . . .
O13 O -0.4009(12) 0.3068(10) 0.5359(8) 0.038(4) Uani 1 1 d . . .
O14 O -0.5684(12) 0.2630(10) 0.5720(8) 0.047(5) Uani 1 1 d . . .
O15 O -0.7113(14) 0.6720(10) 0.5741(7) 0.041(4) Uani 1 1 d . . .
O16 O -0.8752(12) 0.5743(9) 0.5599(7) 0.031(3) Uani 1 1 d U . .
O17 O -0.5476(11) 0.3921(8) 0.6637(7) 0.025(3) Uani 1 1 d . . .
O18 O -0.7082(12) 0.6716(8) 0.6996(7) 0.032(4) Uani 1 1 d . . .
O19 O -0.5395(15) 1.0808(11) 0.6568(9) 0.051(5) Uani 1 1 d . . .
O20 O -0.6157(13) 1.1991(9) 0.7006(8) 0.044(4) Uani 1 1 d . . .
O21 O -0.8320(17) 0.8774(15) 0.6767(11) 0.075(6) Uani 1 1 d . . .
O22 O -0.889(2) 1.0068(14) 0.7163(11) 0.091(8) Uani 1 1 d . . .
O23 O -0.4191(12) 1.0668(9) 0.7645(7) 0.029(3) Uani 1 1 d U . .
O24 O -0.7559(11) 0.8413(9) 0.7858(9) 0.046(5) Uani 1 1 d . . .
O1W O -0.0150(13) 0.4220(10) 0.5782(8) 0.044(4) Uani 1 1 d . . .
O2W O -0.0460(13) 0.2674(10) 0.4704(8) 0.040(4) Uani 1 1 d U . .
O3W O -0.2601(16) 0.1781(12) 0.5056(9) 0.062(5) Uani 1 1 d U . .
O4W O 0.1241(14) 0.1755(10) 0.6861(8) 0.045(4) Uani 1 1 d U . .
O5W O 0.0987(14) 0.2186(11) 0.5661(8) 0.047(4) Uani 1 1 d . . .
O6W O 0.2612(14) 0.3804(10) 0.5664(10) 0.056(5) Uani 1 1 d . . .
O7W O 0.2805(12) 0.1107(10) 0.5818(8) 0.041(4) Uani 1 1 d . . .
O8W O -0.401(3) 0.0679(16) 0.5597(19) 0.178(18) Uani 1 1 d . . .
O9W O -0.8657(14) 0.9419(10) 0.5695(8) 0.045(4) Uani 1 1 d U . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes.
;

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
Gd1 O7 2.291(14) . ?
Gd1 O4 2.309(17) . ?
Gd1 O13 2.361(14) . ?
Gd1 O15 2.370(15) 2_466 ?
Gd1 O3W 2.397(18) . ?
Gd1 O1W 2.432(16) . ?
Gd1 O2W 2.481(15) . ?
Gd1 O16 2.511(14) 2_466 ?
Gd1 C30 2.76(2) 2_466 ?
Gd2 O20 2.301(15) 1_645 ?
Gd2 O14 2.378(15) 1_655 ?
Gd2 O1 2.386(16) . ?
Gd2 O4W 2.420(16) . ?
Gd2 O5W 2.435(18) . ?
Gd2 O6W 2.444(18) . ?
Gd2 O7W 2.466(14) . ?
Gd2 O17 2.581(12) 1_655 ?
Gd2 O2 2.629(18) . ?
Gd2 C7 2.86(2) . ?
C1 C6 1.24(3) . ?
C1 C2 1.39(3) . ?
C2 C3 1.37(3) . ?
C2 O5 1.38(2) . ?
C3 C4 1.40(3) . ?
C3 C41 1.57(3) . ?
C4 C5 1.34(3) . ?
C5 C6 1.51(3) . ?
C5 C53 1.56(3) . ?
C6 O6 1.41(2) . ?
C7 O2 1.24(3) . ?
C7 O1 1.29(2) . ?
C7 C8 1.52(3) . ?
C8 O5 1.40(3) . ?
C9 O4 1.23(2) . ?
C9 O3 1.25(2) . ?
C9 C10 1.52(3) . ?
C10 O6 1.46(2) . ?
C11 C12 1.34(3) . ?
C11 C16 1.40(3) . ?
C12 O11 1.40(2) . ?
C12 C13 1.45(3) . ?
C13 C14 1.39(3) . ?
C13 C41 1.49(3) . ?
C14 C15 1.43(3) . ?
C15 C16 1.35(3) . ?
C15 C47 1.52(3) . ?
C16 O12 1.40(3) . ?
C17 O8 1.23(2) . ?
C17 O7 1.30(2) . ?
C17 C18 1.47(3) . ?
C18 O11 1.46(3) . ?
C19 C20 1.39(3) . ?
C19 O12 1.40(3) . ?
C20 O9 1.20(3) . ?
C20 O10 1.35(3) . ?
C21 C22 1.33(3) . ?
C21 C26 1.38(3) . ?
C22 C23 1.40(3) . ?
C22 O17 1.42(2) . ?
C23 C24 1.35(3) . ?
C23 C53 1.53(3) . ?
C24 C25 1.40(3) . ?
C25 C26 1.39(3) . ?
C25 C59 1.54(3) . ?
C26 O18 1.38(2) . ?
C27 C28 1.44(3) . ?
C27 O17 1.45(2) . ?
C28 O14 1.26(2) . ?
C28 O13 1.30(3) . ?
C29 O18 1.44(2) . ?
C29 C30 1.47(3) . ?
C30 O15 1.25(2) . ?
C30 O16 1.26(2) . ?
C30 Gd1 2.76(2) 2_466 ?
C31 C36 1.32(3) . ?
C31 C32 1.44(3) . ?
C32 C33 1.35(3) . ?
C32 O23 1.37(2) . ?
C33 C34 1.42(3) . ?
C33 C47 1.49(3) . ?
C34 C35 1.40(3) . ?
C35 C36 1.33(3) . ?
C35 C59 1.46(3) . ?
C36 O24 1.43(3) . ?
C37 O19 1.21(3) . ?
C37 O20 1.25(2) . ?
C37 C38 1.48(3) . ?
C38 O23 1.47(2) . ?
C39 O22 1.23(3) . ?
C39 O21 1.27(4) . ?
C39 C40 1.52(4) . ?
C40 O24 1.38(3) . ?
C41 C42 1.49(3) . ?
C42 C43 1.51(3) . ?
C43 C44 1.49(4) . ?
C44 C45 1.51(4) . ?
C45 C46 1.44(6) . ?
C47 C48 1.57(3) . ?
C48 C49 1.51(4) . ?
C49 C50 1.501(10) . ?
C50 C51 1.508(10) . ?
C51 C52 1.508(10) . ?
C53 C54 1.52(3) . ?
C54 C55 1.50(3) . ?
C55 C56 1.49(5) . ?
C56 C57 1.501(10) . ?
C57 C58 1.502(10) . ?
C59 C60 1.50(3) . ?
C60 C61 1.52(3) . ?
C61 C62 1.55(5) . ?
C62 C63 1.45(5) . ?
C63 C64 1.67(9) . ?
C65 N1 1.53(3) . ?
C66 N1 1.45(3) . ?
O14 Gd2 2.378(15) 1_455 ?
O15 Gd1 2.370(15) 2_466 ?
O16 Gd1 2.511(14) 2_466 ?
O17 Gd2 2.581(12) 1_455 ?
O20 Gd2 2.301(15) 1_465 ?

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
O7 Gd1 O4 94.4(5) . . ?
O7 Gd1 O13 78.1(5) . . ?
O4 Gd1 O13 78.9(6) . . ?
O7 Gd1 O15 93.2(6) . 2_466 ?
O4 Gd1 O15 149.2(5) . 2_466 ?
O13 Gd1 O15 73.6(6) . 2_466 ?
O7 Gd1 O3W 147.6(6) . . ?
O4 Gd1 O3W 78.0(6) . . ?
O13 Gd1 O3W 69.6(6) . . ?
O15 Gd1 O3W 79.7(6) 2_466 . ?
O7 Gd1 O1W 79.1(5) . . ?
O4 Gd1 O1W 75.0(5) . . ?
O13 Gd1 O1W 143.7(6) . . ?
O15 Gd1 O1W 135.7(5) 2_466 . ?
O3W Gd1 O1W 127.3(6) . . ?
O7 Gd1 O2W 140.2(5) . . ?
O4 Gd1 O2W 108.7(5) . . ?
O13 Gd1 O2W 136.8(5) . . ?
O15 Gd1 O2W 83.2(6) 2_466 . ?
O3W Gd1 O2W 70.8(6) . . ?
O1W Gd1 O2W 76.4(5) . . ?
O7 Gd1 O16 78.3(5) . 2_466 ?
O4 Gd1 O16 157.3(5) . 2_466 ?
O13 Gd1 O16 119.7(5) . 2_466 ?
O15 Gd1 O16 53.4(5) 2_466 2_466 ?
O3W Gd1 O16 119.3(6) . 2_466 ?
O1W Gd1 O16 82.4(5) . 2_466 ?
O2W Gd1 O16 67.8(5) . 2_466 ?
O7 Gd1 C30 88.5(6) . 2_466 ?
O4 Gd1 C30 175.4(5) . 2_466 ?
O13 Gd1 C30 98.3(6) . 2_466 ?
O15 Gd1 C30 26.7(5) 2_466 2_466 ?
O3W Gd1 C30 97.7(6) . 2_466 ?
O1W Gd1 C30 109.0(6) . 2_466 ?
O2W Gd1 C30 70.8(5) . 2_466 ?
O16 Gd1 C30 27.1(5) 2_466 2_466 ?
O20 Gd2 O14 84.8(6) 1_645 1_655 ?
O20 Gd2 O1 75.0(6) 1_645 . ?
O14 Gd2 O1 131.5(5) 1_655 . ?
O20 Gd2 O4W 78.2(6) 1_645 . ?
O14 Gd2 O4W 145.7(5) 1_655 . ?
O1 Gd2 O4W 72.1(6) . . ?
O20 Gd2 O5W 137.2(5) 1_645 . ?
O14 Gd2 O5W 104.6(6) 1_655 . ?
O1 Gd2 O5W 120.3(5) . . ?
O4W Gd2 O5W 70.9(6) . . ?
O20 Gd2 O6W 148.5(6) 1_645 . ?
O14 Gd2 O6W 71.5(6) 1_655 . ?
O1 Gd2 O6W 105.4(6) . . ?
O4W Gd2 O6W 132.6(5) . . ?
O5W Gd2 O6W 70.7(5) . . ?
O20 Gd2 O7W 74.6(5) 1_645 . ?
O14 Gd2 O7W 67.3(5) 1_655 . ?
O1 Gd2 O7W 141.8(6) . . ?
O4W Gd2 O7W 79.4(5) . . ?
O5W Gd2 O7W 71.2(5) . . ?
O6W Gd2 O7W 112.7(6) . . ?
O20 Gd2 O17 77.9(5) 1_645 1_655 ?
O14 Gd2 O17 62.1(5) 1_655 1_655 ?
O1 Gd2 O17 70.7(5) . 1_655 ?
O4W Gd2 O17 139.8(5) . 1_655 ?
O5W Gd2 O17 143.5(5) . 1_655 ?
O6W Gd2 O17 72.8(5) . 1_655 ?
O7W Gd2 O17 123.8(4) . 1_655 ?
O20 Gd2 O2 125.9(6) 1_645 . ?
O14 Gd2 O2 137.5(6) 1_655 . ?
O1 Gd2 O2 52.3(5) . . ?
O4W Gd2 O2 75.3(5) . . ?
O5W Gd2 O2 73.9(5) . . ?
O6W Gd2 O2 68.1(6) . . ?
O7W Gd2 O2 142.0(5) . . ?
O17 Gd2 O2 93.4(5) 1_655 . ?
O20 Gd2 C7 101.1(6) 1_645 . ?
O14 Gd2 C7 140.5(5) 1_655 . ?
O1 Gd2 C7 26.5(6) . . ?
O4W Gd2 C7 72.7(6) . . ?
O5W Gd2 C7 97.3(6) . . ?
O6W Gd2 C7 85.7(6) . . ?
O7W Gd2 C7 152.0(6) . . ?
O17 Gd2 C7 80.8(5) 1_655 . ?
O2 Gd2 C7 25.7(6) . . ?
C6 C1 C2 121(2) . . ?
C3 C2 O5 117.3(19) . . ?
C3 C2 C1 120(2) . . ?
O5 C2 C1 122.3(19) . . ?
C2 C3 C4 117.3(19) . . ?
C2 C3 C41 121.7(18) . . ?
C4 C3 C41 121.1(17) . . ?
C5 C4 C3 125.2(18) . . ?
C4 C5 C6 112.2(17) . . ?
C4 C5 C53 124.4(19) . . ?
C6 C5 C53 123.4(18) . . ?
C1 C6 O6 128.1(19) . . ?
C1 C6 C5 123.9(19) . . ?
O6 C6 C5 107.6(15) . . ?
O2 C7 O1 122(2) . . ?
O2 C7 C8 126(2) . . ?
O1 C7 C8 112(2) . . ?
O2 C7 Gd2 66.5(13) . . ?
O1 C7 Gd2 55.6(11) . . ?
C8 C7 Gd2 166.9(16) . . ?
O5 C8 C7 117.2(19) . . ?
O4 C9 O3 127(2) . . ?
O4 C9 C10 119.9(18) . . ?
O3 C9 C10 112.8(18) . . ?
O6 C10 C9 114.4(17) . . ?
C12 C11 C16 118(2) . . ?
C11 C12 O11 119(2) . . ?
C11 C12 C13 125(2) . . ?
O11 C12 C13 116.2(18) . . ?
C14 C13 C12 112.3(19) . . ?
C14 C13 C41 124.7(19) . . ?
C12 C13 C41 122.3(17) . . ?
C13 C14 C15 125(2) . . ?
C16 C15 C14 116.9(18) . . ?
C16 C15 C47 119.0(18) . . ?
C14 C15 C47 124.1(18) . . ?
C15 C16 C11 122(2) . . ?
C15 C16 O12 119.5(19) . . ?
C11 C16 O12 118(2) . . ?
O8 C17 O7 124(2) . . ?
O8 C17 C18 123(2) . . ?
O7 C17 C18 112.9(19) . . ?
O11 C18 C17 115.0(18) . . ?
C20 C19 O12 116(2) . . ?
O9 C20 O10 114(2) . . ?
O9 C20 C19 127(2) . . ?
O10 C20 C19 118(2) . . ?
C22 C21 C26 119(2) . . ?
C21 C22 C23 122.9(19) . . ?
C21 C22 O17 115.1(19) . . ?
C23 C22 O17 121.8(17) . . ?
C24 C23 C22 116.6(19) . . ?
C24 C23 C53 125(2) . . ?
C22 C23 C53 118.7(18) . . ?
C23 C24 C25 123(2) . . ?
C26 C25 C24 116.5(18) . . ?
C26 C25 C59 120.0(18) . . ?
C24 C25 C59 123.3(19) . . ?
C21 C26 O18 124.7(19) . . ?
C21 C26 C25 121.0(18) . . ?
O18 C26 C25 114.1(17) . . ?
C28 C27 O17 105.7(17) . . ?
O14 C28 O13 116(2) . . ?
O14 C28 C27 124(2) . . ?
O13 C28 C27 119.9(19) . . ?
O18 C29 C30 115.5(16) . . ?
O15 C30 O16 123(2) . . ?
O15 C30 C29 121.0(18) . . ?
O16 C30 C29 115.9(17) . . ?
O15 C30 Gd1 58.8(11) . 2_466 ?
O16 C30 Gd1 65.2(11) . 2_466 ?
C29 C30 Gd1 161.5(14) . 2_466 ?
C36 C31 C32 118(2) . . ?
C33 C32 O23 116.3(19) . . ?
C33 C32 C31 121(2) . . ?
O23 C32 C31 122.7(19) . . ?
C32 C33 C34 116.2(19) . . ?
C32 C33 C47 121.7(19) . . ?
C34 C33 C47 121.7(19) . . ?
C35 C34 C33 124(2) . . ?
C36 C35 C34 115(2) . . ?
C36 C35 C59 125(2) . . ?
C34 C35 C59 119.8(19) . . ?
C31 C36 C35 126(2) . . ?
C31 C36 O24 120(2) . . ?
C35 C36 O24 113(2) . . ?
O19 C37 O20 126(2) . . ?
O19 C37 C38 122(2) . . ?
O20 C37 C38 111(2) . . ?
O23 C38 C37 114.0(17) . . ?
O22 C39 O21 123(3) . . ?
O22 C39 C40 121(3) . . ?
O21 C39 C40 116(3) . . ?
O24 C40 C39 114(2) . . ?
C42 C41 C13 114.9(16) . . ?
C42 C41 C3 109.9(16) . . ?
C13 C41 C3 111.8(16) . . ?
C41 C42 C43 113.5(19) . . ?
C44 C43 C42 112(2) . . ?
C43 C44 C45 114(3) . . ?
C46 C45 C44 117(4) . . ?
C33 C47 C15 109.9(16) . . ?
C33 C47 C48 110.9(18) . . ?
C15 C47 C48 111.7(18) . . ?
C49 C48 C47 109(2) . . ?
C50 C49 C48 112(3) . . ?
C49 C50 C51 112.0(10) . . ?
C52 C51 C50 111.7(10) . . ?
C54 C53 C23 113(2) . . ?
C54 C53 C5 108.0(18) . . ?
C23 C53 C5 111.0(18) . . ?
C55 C54 C53 115(2) . . ?
C56 C55 C54 111(3) . . ?
C55 C56 C57 113(4) . . ?
C56 C57 C58 114(4) . . ?
C35 C59 C60 112.3(18) . . ?
C35 C59 C25 113.8(17) . . ?
C60 C59 C25 113.4(18) . . ?
C59 C60 C61 110(2) . . ?
C60 C61 C62 111(3) . . ?
C63 C62 C61 113(4) . . ?
C62 C63 C64 100(5) . . ?
C66 N1 C65 104(2) . . ?
C7 O1 Gd2 97.9(14) . . ?
C7 O2 Gd2 87.7(14) . . ?
C9 O4 Gd1 138.5(14) . . ?
C2 O5 C8 116.7(16) . . ?
C6 O6 C10 111.5(15) . . ?
C17 O7 Gd1 133.4(13) . . ?
C12 O11 C18 116.5(16) . . ?
C19 O12 C16 117.2(17) . . ?
C28 O13 Gd1 138.3(15) . . ?
C28 O14 Gd2 126.6(14) . 1_455 ?
C30 O15 Gd1 94.5(13) . 2_466 ?
C30 O16 Gd1 87.7(12) . 2_466 ?
C22 O17 C27 112.9(14) . . ?
C22 O17 Gd2 124.0(11) . 1_455 ?
C27 O17 Gd2 121.3(12) . 1_455 ?
C26 O18 C29 115.0(14) . . ?
C37 O20 Gd2 141.7(17) . 1_465 ?
C32 O23 C38 119.1(15) . . ?
C40 O24 C36 118.9(19) . . ?

_diffrn_measured_fraction_theta_max 0.823
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.973
_refine_diff_density_max         3.167
_refine_diff_density_min         -1.656
_refine_diff_density_rms         0.238
_chemical_properties_physical    Light-sensitive
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Compound-2
_database_code_depnum_ccdc_archive 'CCDC 1581288'
_audit_update_record             
;
2017-10-22 deposited with the CCDC.
2019-01-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        2
_chemical_name_common            Resorcin[4]arene-Eu
_chemical_melting_point          ?
_chemical_formula_moiety         'C66 H94 Eu2 N O33'
_chemical_formula_sum            'C66 H94 Eu2 N O33'
_chemical_formula_weight         1733.34

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'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.6030(7)
_cell_length_b                   14.7990(10)
_cell_length_c                   22.0270(14)
_cell_angle_alpha                97.853(6)
_cell_angle_beta                 92.450(5)
_cell_angle_gamma                98.272(6)
_cell_volume                     3700.3(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3318
_cell_measurement_theta_min      2.8605
_cell_measurement_theta_max      29.2168

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1774
_exptl_absorpt_coefficient_mu    1.768
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6191
_exptl_absorpt_correction_T_max  0.8430
_exptl_absorpt_process_details   
;
CrysAlis (Oxford Diffraction, 2006) 
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_diffrn_detector_area_resol_mean 10.0
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            26682
_diffrn_reflns_av_R_equivalents  0.0850
_diffrn_reflns_av_sigmaI/netI    0.2196
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.87
_diffrn_reflns_theta_max         29.28
_reflns_number_total             16733
_reflns_number_gt                9079
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_cell_refinement       CrysAlis
_computing_data_reduction        CrysAlis
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0001P)²+150.8087P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         16733
_refine_ls_number_parameters     909
_refine_ls_number_restraints     210
_refine_ls_R_factor_all          0.2251
_refine_ls_R_factor_gt           0.1390
_refine_ls_wR_factor_ref         0.2958
_refine_ls_wR_factor_gt          0.2549
_refine_ls_goodness_of_fit_ref   1.113
_refine_ls_restrained_S_all      1.108
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.000

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
Eu1 Eu 0.69746(7) 0.15865(6) 0.47402(4) 0.0216(2) Uani 1 1 d . . .
Eu2 Eu 1.23066(7) 0.23313(6) 0.36287(4) 0.0251(2) Uani 1 1 d . . .
C1 C 0.419(2) -0.6612(18) 0.1318(11) 0.077(3) Uani 1 1 d DU . .
H1A H 0.3426 -0.6950 0.1342 0.115 Uiso 1 1 calc R . .
H1B H 0.4383 -0.6165 0.1681 0.115 Uiso 1 1 calc R . .
H1C H 0.4751 -0.7030 0.1288 0.115 Uiso 1 1 calc R . .
C2 C 0.4204(17) -0.6127(18) 0.0763(11) 0.074(3) Uani 1 1 d DU . .
H2A H 0.3607 -0.5729 0.0777 0.088 Uiso 1 1 calc R . .
H2B H 0.4052 -0.6573 0.0392 0.088 Uiso 1 1 calc R . .
C3 C 0.5390(18) -0.5566(19) 0.0766(13) 0.074(3) Uani 1 1 d DU . .
H3A H 0.5869 -0.5921 0.0506 0.088 Uiso 1 1 calc R . .
H3B H 0.5308 -0.5015 0.0586 0.088 Uiso 1 1 calc R . .
C4 C 0.599(2) -0.530(2) 0.1359(13) 0.079(6) Uani 1 1 d U . .
H4A H 0.5961 -0.5847 0.1554 0.094 Uiso 1 1 calc R . .
H4B H 0.5530 -0.4893 0.1597 0.094 Uiso 1 1 calc R . .
C5 C 0.723(2) -0.482(2) 0.1434(12) 0.070(3) Uani 1 1 d U . .
H5A H 0.7295 -0.4300 0.1209 0.084 Uiso 1 1 calc R . .
H5B H 0.7722 -0.5247 0.1251 0.084 Uiso 1 1 calc R . .
C6 C 0.768(2) -0.4485(19) 0.2094(12) 0.065(3) Uani 1 1 d U . .
H6 H 0.7509 -0.5001 0.2328 0.078 Uiso 1 1 calc R . .
C7 C 0.8979(18) -0.4194(13) 0.2135(8) 0.034(4) Uani 1 1 d U . .
C8 C 0.9719(14) -0.4820(11) 0.2257(8) 0.026(4) Uani 1 1 d . . .
C9 C 1.0954(14) -0.4546(12) 0.2276(9) 0.029(4) Uani 1 1 d . . .
H9 H 1.1471 -0.4947 0.2355 0.035 Uiso 1 1 calc R . .
C10 C 1.1338(15) -0.3665(15) 0.2174(9) 0.036(5) Uani 1 1 d . . .
C11 C 1.0682(13) -0.3068(11) 0.2019(8) 0.022(4) Uani 1 1 d . . .
C12 C 0.9490(13) -0.3342(11) 0.2025(8) 0.021(4) Uani 1 1 d . . .
H12 H 0.9002 -0.2918 0.1949 0.025 Uiso 1 1 calc R . .
C13 C 0.9935(15) -0.6373(13) 0.2382(8) 0.027(4) Uani 1 1 d U . .
H13A H 1.0520 -0.6307 0.2083 0.033 Uiso 1 1 calc R . .
H13B H 0.9451 -0.6968 0.2262 0.033 Uiso 1 1 calc R . .
C14 C 1.0544(14) -0.6375(12) 0.2997(9) 0.028(4) Uani 1 1 d . . .
C15 C 1.3324(18) -0.4066(15) 0.2169(12) 0.049(6) Uani 1 1 d . . .
H15A H 1.4068 -0.3822 0.2026 0.059 Uiso 1 1 calc R . .
H15B H 1.3009 -0.4616 0.1886 0.059 Uiso 1 1 calc R . .
C16 C 1.3539(18) -0.4341(18) 0.2767(13) 0.053(6) Uani 1 1 d . . .
C17 C 0.954(5) -0.403(4) -0.073(3) 0.206(14) Uani 1 1 d U . .
H17A H 0.8824 -0.4457 -0.0804 0.309 Uiso 1 1 calc R . .
H17B H 1.0182 -0.4352 -0.0839 0.309 Uiso 1 1 calc R . .
H17C H 0.9515 -0.3546 -0.0977 0.309 Uiso 1 1 calc R . .
C18 C 0.971(3) -0.360(4) -0.001(2) 0.186(14) Uani 1 1 d DU . .
H18A H 0.9154 -0.3178 0.0093 0.224 Uiso 1 1 calc R . .
H18B H 0.9630 -0.4075 0.0249 0.224 Uiso 1 1 calc R . .
C19 C 1.091(3) -0.311(3) 0.0018(17) 0.123(10) Uani 1 1 d U . .
H19A H 1.0933 -0.2526 -0.0141 0.148 Uiso 1 1 calc R . .
H19B H 1.1407 -0.3479 -0.0219 0.148 Uiso 1 1 calc R . .
C20 C 1.136(3) -0.2928(19) 0.0754(12) 0.091(8) Uani 1 1 d DU . .
H20A H 1.1173 -0.3501 0.0922 0.109 Uiso 1 1 calc R . .
H20B H 1.2202 -0.2761 0.0789 0.109 Uiso 1 1 calc R . .
C21 C 1.0834(19) -0.2187(15) 0.1136(9) 0.043(5) Uani 1 1 d . . .
H21A H 0.9991 -0.2304 0.1067 0.052 Uiso 1 1 calc R . .
H21B H 1.1112 -0.1592 0.1015 0.052 Uiso 1 1 calc R . .
C22 C 1.1168(14) -0.2173(12) 0.1812(8) 0.024(4) Uani 1 1 d . . .
H22 H 1.2021 -0.2116 0.1856 0.029 Uiso 1 1 calc R . .
C23 C 1.0823(12) -0.1357(10) 0.2214(7) 0.016(3) Uani 1 1 d . . .
C24 C 1.1366(13) -0.1118(11) 0.2824(7) 0.018(3) Uani 1 1 d U . .
C25 C 1.1176(13) -0.0331(11) 0.3188(8) 0.021(4) Uani 1 1 d . . .
H25 H 1.1529 -0.0178 0.3583 0.025 Uiso 1 1 calc R . .
C26 C 1.0478(14) 0.0220(12) 0.2971(8) 0.024(4) Uani 1 1 d . . .
C27 C 0.9921(13) 0.0025(11) 0.2408(8) 0.020(3) Uani 1 1 d . . .
C28 C 1.0105(13) -0.0746(11) 0.2050(8) 0.021(4) Uani 1 1 d . . .
H28 H 0.9719 -0.0880 0.1662 0.026 Uiso 1 1 calc R . .
C29 C 1.3096(14) -0.1306(13) 0.3374(9) 0.032(4) Uani 1 1 d . . .
H29A H 1.3367 -0.0700 0.3267 0.038 Uiso 1 1 calc R . .
H29B H 1.3701 -0.1684 0.3281 0.038 Uiso 1 1 calc R . .
C30 C 1.2959(14) -0.1205(12) 0.4058(9) 0.026(4) Uani 1 1 d . . .
C31 C 0.9457(15) 0.1116(14) 0.3693(9) 0.032(4) Uani 1 1 d . . .
H31A H 0.9201 0.0519 0.3816 0.039 Uiso 1 1 calc R . .
H31B H 0.8826 0.1277 0.3445 0.039 Uiso 1 1 calc R . .
C32 C 0.9767(13) 0.1819(13) 0.4238(8) 0.026(4) Uani 1 1 d . . .
C33 C 1.204(3) 0.124(4) -0.019(2) 0.168(18) Uani 1 1 d U . .
H33A H 1.2852 0.1321 -0.0273 0.252 Uiso 1 1 calc R . .
H33B H 1.1686 0.1732 -0.0327 0.252 Uiso 1 1 calc R . .
H33C H 1.1659 0.0660 -0.0406 0.252 Uiso 1 1 calc R . .
C34 C 1.192(3) 0.126(3) 0.0481(17) 0.103(8) Uani 1 1 d U . .
H34A H 1.2348 0.1838 0.0690 0.123 Uiso 1 1 calc R . .
H34B H 1.2305 0.0768 0.0611 0.123 Uiso 1 1 calc R . .
C35 C 1.071(3) 0.115(3) 0.0694(15) 0.097(9) Uani 1 1 d U . .
H35A H 1.0337 0.1647 0.0564 0.117 Uiso 1 1 calc R . .
H35B H 1.0290 0.0577 0.0480 0.117 Uiso 1 1 calc R . .
C36 C 1.0568(19) 0.1162(17) 0.1363(12) 0.059(5) Uani 1 1 d U . .
H36A H 1.0810 0.1785 0.1573 0.071 Uiso 1 1 calc R . .
H36B H 1.1080 0.0771 0.1519 0.071 Uiso 1 1 calc R . .
C37 C 0.9341(15) 0.0837(15) 0.1511(9) 0.034(5) Uani 1 1 d . . .
H37A H 0.9067 0.0249 0.1258 0.041 Uiso 1 1 calc R . .
H37B H 0.8849 0.1273 0.1399 0.041 Uiso 1 1 calc R . .
C38 C 0.9182(14) 0.0720(12) 0.2184(9) 0.026(4) Uani 1 1 d . . .
H38 H 0.9445 0.1322 0.2434 0.032 Uiso 1 1 calc R . .
C39 C 0.7871(14) 0.0469(13) 0.2257(9) 0.031(4) Uani 1 1 d . . .
C40 C 0.7118(13) 0.1126(11) 0.2453(7) 0.019(3) Uani 1 1 d U . .
C41 C 0.6047(15) 0.0943(13) 0.2456(8) 0.028(4) Uani 1 1 d U . .
H41 H 0.5608 0.1415 0.2556 0.034 Uiso 1 1 calc R . .
C42 C 0.5482(13) 0.0026(11) 0.2309(8) 0.024(4) Uani 1 1 d . . .
C43 C 0.6104(14) -0.0670(12) 0.2161(8) 0.022(4) Uani 1 1 d . . .
C44 C 0.7311(13) -0.0427(11) 0.2115(8) 0.022(4) Uani 1 1 d . . .
H44 H 0.7748 -0.0889 0.1984 0.026 Uiso 1 1 calc R . .
C45 C 0.7120(15) 0.2716(11) 0.2853(8) 0.026(4) Uani 1 1 d . . .
H45A H 0.6483 0.2744 0.2559 0.031 Uiso 1 1 calc R . .
H45B H 0.7620 0.3309 0.2908 0.031 Uiso 1 1 calc R . .
C46 C 0.6614(14) 0.2559(12) 0.3469(9) 0.028(4) Uani 1 1 d . . .
C47 C 0.3568(13) 0.0423(11) 0.2199(8) 0.023(4) Uani 1 1 d . . .
H47A H 0.2842 0.0079 0.2002 0.027 Uiso 1 1 calc R . .
H47B H 0.3934 0.0783 0.1904 0.027 Uiso 1 1 calc R . .
C48 C 0.3272(14) 0.1103(12) 0.2757(9) 0.029(4) Uani 1 1 d . . .
C49 C 0.361(3) -0.138(3) -0.0700(17) 0.116(11) Uani 1 1 d U . .
H49A H 0.3144 -0.0977 -0.0867 0.174 Uiso 1 1 calc R . .
H49B H 0.3236 -0.2009 -0.0810 0.174 Uiso 1 1 calc R . .
H49C H 0.4366 -0.1310 -0.0862 0.174 Uiso 1 1 calc R . .
C50 C 0.374(3) -0.114(2) -0.0003(16) 0.106(11) Uani 1 1 d U . .
H50A H 0.4079 -0.0499 0.0103 0.127 Uiso 1 1 calc R . .
H50B H 0.2967 -0.1216 0.0156 0.127 Uiso 1 1 calc R . .
C51 C 0.447(2) -0.1722(19) 0.0298(11) 0.066(8) Uani 1 1 d . . .
H51A H 0.5234 -0.1661 0.0132 0.079 Uiso 1 1 calc R . .
H51B H 0.4116 -0.2363 0.0201 0.079 Uiso 1 1 calc R . .
C52 C 0.462(2) -0.1451(17) 0.1011(10) 0.052(6) Uani 1 1 d . . .
H52A H 0.4937 -0.0801 0.1106 0.062 Uiso 1 1 calc R . .
H52B H 0.3858 -0.1538 0.1177 0.062 Uiso 1 1 calc R . .
C53 C 0.5388(17) -0.1985(13) 0.1321(10) 0.038(5) Uani 1 1 d . . .
H53A H 0.6149 -0.1911 0.1152 0.046 Uiso 1 1 calc R . .
H53B H 0.5063 -0.2634 0.1241 0.046 Uiso 1 1 calc R . .
C54 C 0.5533(13) -0.1676(11) 0.2018(7) 0.019(3) Uani 1 1 d U . .
H54 H 0.4742 -0.1698 0.2161 0.023 Uiso 1 1 calc R . .
C55 C 0.6121(12) -0.2321(11) 0.2365(8) 0.020(4) Uani 1 1 d . . .
C56 C 0.6152(13) -0.2223(12) 0.3004(8) 0.022(4) Uani 1 1 d . . .
C57 C 0.6529(13) -0.2861(12) 0.3327(8) 0.023(4) Uani 1 1 d U . .
H57 H 0.6490 -0.2798 0.3751 0.027 Uiso 1 1 calc R . .
C58 C 0.6972(14) -0.3609(12) 0.3015(8) 0.024(4) Uani 1 1 d U . .
C59 C 0.706(2) -0.3697(18) 0.2387(12) 0.059(3) Uani 1 1 d U . .
C60 C 0.6659(13) -0.3047(11) 0.2068(8) 0.021(4) Uani 1 1 d . . .
H60 H 0.6743 -0.3089 0.1648 0.025 Uiso 1 1 calc R . .
C61 C 0.6537(16) -0.0736(14) 0.3555(9) 0.035(5) Uani 1 1 d . . .
H61A H 0.6232 -0.0186 0.3472 0.042 Uiso 1 1 calc R . .
H61B H 0.7239 -0.0767 0.3334 0.042 Uiso 1 1 calc R . .
C62 C 0.6867(14) -0.0635(12) 0.4235(7) 0.022(4) Uani 1 1 d . . .
C63 C 0.6574(18) -0.4625(14) 0.3741(10) 0.043(5) Uani 1 1 d . . .
H63A H 0.6613 -0.5278 0.3722 0.051 Uiso 1 1 calc R . .
H63B H 0.5792 -0.4567 0.3593 0.051 Uiso 1 1 calc R . .
C64 C 0.6751(16) -0.4194(14) 0.4396(9) 0.034(4) Uani 1 1 d U . .
C65 C 1.034(2) -0.3546(17) 0.3793(11) 0.056(6) Uiso 1 1 d . . .
H65A H 1.0556 -0.4048 0.3982 0.084 Uiso 1 1 calc R . .
H65B H 1.1014 -0.3210 0.3647 0.084 Uiso 1 1 calc R . .
H65C H 0.9778 -0.3784 0.3454 0.084 Uiso 1 1 calc R . .
C66 C 0.948(2) -0.218(2) 0.3889(13) 0.076(8) Uani 1 1 d U . .
H66A H 0.9136 -0.1742 0.4158 0.114 Uiso 1 1 calc R . .
H66B H 0.8936 -0.2451 0.3553 0.114 Uiso 1 1 calc R . .
H66C H 1.0170 -0.1868 0.3735 0.114 Uiso 1 1 calc R . .
N1 N 0.9815(14) -0.2929(12) 0.4243(8) 0.041(4) Uiso 1 1 d . . .
O1 O 0.9213(10) -0.5660(8) 0.2354(5) 0.027(3) Uani 1 1 d U . .
O2 O 1.1161(12) -0.6978(10) 0.3001(7) 0.047(4) Uani 1 1 d . . .
O3 O 1.2564(9) -0.3409(8) 0.2132(6) 0.033(3) Uani 1 1 d . . .
O4 O 1.3918(18) -0.5037(13) 0.2822(11) 0.091(7) Uani 1 1 d . . .
O5 O 1.3336(13) -0.3754(13) 0.3228(9) 0.063(5) Uani 1 1 d . . .
O6 O 1.0402(12) -0.5809(10) 0.3431(7) 0.045(4) Uani 1 1 d . . .
O7 O 1.2089(10) -0.1695(8) 0.2996(5) 0.027(3) Uani 1 1 d . . .
O8 O 1.2123(10) -0.1699(9) 0.4256(6) 0.034(3) Uani 1 1 d . . .
O9 O 1.3750(9) -0.0739(8) 0.4413(6) 0.026(3) Uani 1 1 d . . .
O10 O 1.0468(9) 0.1082(7) 0.3348(5) 0.023(3) Uani 1 1 d . . .
O11 O 1.0689(11) 0.2378(9) 0.4268(6) 0.040(3) Uani 1 1 d . . .
O12 O 0.9003(9) 0.1920(8) 0.4637(6) 0.027(3) Uani 1 1 d . . .
O13 O 0.7778(9) 0.2020(8) 0.2601(6) 0.027(3) Uani 1 1 d . . .
O14 O 0.6993(12) 0.1988(10) 0.3758(7) 0.045(4) Uani 1 1 d . . .
O15 O 0.5878(11) 0.3051(10) 0.3626(7) 0.044(4) Uani 1 1 d . . .
O16 O 0.4293(9) -0.0205(8) 0.2333(6) 0.029(3) Uani 1 1 d . . .
O17 O 0.3762(11) 0.1204(10) 0.3271(6) 0.039(3) Uani 1 1 d . . .
O18 O 0.2435(10) 0.1509(9) 0.2619(6) 0.034(3) Uani 1 1 d . . .
O19 O 0.5716(9) -0.1505(8) 0.3319(6) 0.031(3) Uani 1 1 d . . .
O20 O 0.7453(9) 0.0130(8) 0.4446(6) 0.026(3) Uani 1 1 d . . .
O21 O 0.6617(13) -0.1273(10) 0.4518(6) 0.044(4) Uani 1 1 d . . .
O22 O 0.7368(11) -0.4262(10) 0.3333(6) 0.041(4) Uani 1 1 d . . .
O23 O 0.5914(11) -0.4187(11) 0.4727(7) 0.054(4) Uani 1 1 d . . .
H23 H 0.5315 -0.4441 0.4527 0.081 Uiso 1 1 calc R . .
O24 O 0.7807(12) -0.3944(11) 0.4607(7) 0.049(4) Uani 1 1 d U . .
O1W O 1.3798(11) 0.3276(10) 0.3120(7) 0.047(4) Uani 1 1 d . . .
O2W O 1.4029(11) 0.2843(10) 0.4349(6) 0.039(3) Uani 1 1 d . . .
O3W O 1.2234(10) 0.3915(9) 0.4164(6) 0.032(3) Uani 1 1 d . . .
O4W O 1.2408(12) 0.1202(11) 0.4348(7) 0.049(4) Uani 1 1 d . . .
O5W O 0.5471(11) 0.2368(10) 0.5300(6) 0.039(3) Uani 1 1 d U . .
O6W O 0.5146(10) 0.0788(9) 0.4222(6) 0.032(3) Uani 1 1 d . . .
O7W O 0.7583(13) 0.3234(11) 0.4939(7) 0.051(4) Uani 1 1 d U . .
O8W O 0.902(2) 0.4366(15) 0.4426(15) 0.142(12) Uani 1 1 d . . .
O9W O 1.3658(11) -0.4415(9) 0.4291(6) 0.039(3) Uani 1 1 d . . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes.
;

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
Eu1 O20 2.316(12) . ?
Eu1 O14 2.320(15) . ?
Eu1 O12 2.361(10) . ?
Eu1 O8 2.380(13) 2_756 ?
Eu1 O7W 2.412(16) . ?
Eu1 O6W 2.429(11) . ?
Eu1 O9 2.497(12) 2_756 ?
Eu1 O5W 2.506(13) . ?
Eu1 C30 2.782(19) 2_756 ?
Eu2 O2 2.311(14) 1_565 ?
Eu2 O11 2.398(12) . ?
Eu2 O18 2.406(12) 1_655 ?
Eu2 O2W 2.460(13) . ?
Eu2 O4W 2.466(15) . ?
Eu2 O1W 2.471(14) . ?
Eu2 O3W 2.491(12) . ?
Eu2 O17 2.611(14) 1_655 ?
Eu2 O10 2.606(11) . ?
Eu2 C48 2.840(18) 1_655 ?
C1 C2 1.5001(10) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.5001(10) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.43(3) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C5 1.50(3) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.52(3) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 C7 1.51(3) . ?
C6 C59 1.53(3) . ?
C6 H6 0.9800 . ?
C7 C12 1.37(2) . ?
C7 C8 1.39(2) . ?
C8 O1 1.345(19) . ?
C8 C9 1.43(2) . ?
C9 C10 1.37(3) . ?
C9 H9 0.9300 . ?
C10 C11 1.32(2) . ?
C10 O3 1.43(2) . ?
C11 C12 1.39(2) . ?
C11 C22 1.50(2) . ?
C12 H12 0.9300 . ?
C13 O1 1.45(2) . ?
C13 C14 1.50(3) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 O6 1.22(2) . ?
C14 O2 1.22(2) . ?
C15 O3 1.41(2) . ?
C15 C16 1.45(3) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 O4 1.19(3) . ?
C16 O5 1.30(3) . ?
C17 C18 1.61(6) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C19 1.48(5) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.65(4) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C21 1.51(3) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.52(2) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C23 1.51(2) . ?
C22 H22 0.9800 . ?
C23 C28 1.39(2) . ?
C23 C24 1.44(2) . ?
C24 O7 1.358(18) . ?
C24 C25 1.37(2) . ?
C25 C26 1.35(2) . ?
C25 H25 0.9300 . ?
C26 C27 1.35(2) . ?
C26 O10 1.43(2) . ?
C27 C28 1.34(2) . ?
C27 C38 1.55(2) . ?
C28 H28 0.9300 . ?
C29 O7 1.408(19) . ?
C29 C30 1.51(3) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 O9 1.241(19) . ?
C30 O8 1.26(2) . ?
C30 Eu1 2.782(19) 2_756 ?
C31 O10 1.428(19) . ?
C31 C32 1.47(3) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 O11 1.25(2) . ?
C32 O12 1.28(2) . ?
C33 C34 1.49(5) . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 C35 1.50(4) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C35 C36 1.49(4) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 C37 1.50(3) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 C38 1.53(2) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C38 C39 1.53(2) . ?
C38 H38 0.9800 . ?
C39 C44 1.38(2) . ?
C39 C40 1.43(2) . ?
C40 C41 1.23(2) . ?
C40 O13 1.420(19) . ?
C41 C42 1.41(2) . ?
C41 H41 0.9300 . ?
C42 C43 1.35(2) . ?
C42 O16 1.378(18) . ?
C43 C44 1.41(2) . ?
C43 C54 1.53(2) . ?
C44 H44 0.9300 . ?
C45 O13 1.43(2) . ?
C45 C46 1.53(2) . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C46 O15 1.23(2) . ?
C46 O14 1.24(2) . ?
C47 O16 1.392(18) . ?
C47 C48 1.56(2) . ?
C47 H47A 0.9700 . ?
C47 H47B 0.9700 . ?
C48 O17 1.23(2) . ?
C48 O18 1.26(2) . ?
C48 Eu2 2.840(18) 1_455 ?
C49 C50 1.52(5) . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C50 C51 1.49(4) . ?
C50 H50A 0.9700 . ?
C50 H50B 0.9700 . ?
C51 C52 1.56(3) . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C52 C53 1.48(3) . ?
C52 H52A 0.9700 . ?
C52 H52B 0.9700 . ?
C53 C54 1.54(3) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C54 C55 1.52(2) . ?
C54 H54 0.9800 . ?
C55 C56 1.39(2) . ?
C55 C60 1.42(2) . ?
C56 O19 1.36(2) . ?
C56 C57 1.37(2) . ?
C57 C58 1.40(2) . ?
C57 H57 0.9300 . ?
C58 C59 1.38(3) . ?
C58 O22 1.39(2) . ?
C59 C60 1.39(3) . ?
C60 H60 0.9300 . ?
C61 O19 1.40(2) . ?
C61 C62 1.51(2) . ?
C61 H61A 0.9700 . ?
C61 H61B 0.9700 . ?
C62 O21 1.21(2) . ?
C62 O20 1.252(19) . ?
C63 O22 1.42(2) . ?
C63 C64 1.49(3) . ?
C63 H63A 0.9700 . ?
C63 H63B 0.9700 . ?
C64 O23 1.24(2) . ?
C64 O24 1.28(2) . ?
C65 N1 1.46(3) . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9600 . ?
C66 N1 1.52(3) . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
O2 Eu2 2.311(14) 1_545 ?
O8 Eu1 2.380(13) 2_756 ?
O9 Eu1 2.497(12) 2_756 ?
O17 Eu2 2.611(14) 1_455 ?
O18 Eu2 2.406(12) 1_455 ?
O23 H23 0.8200 . ?

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
O20 Eu1 O14 94.7(5) . . ?
O20 Eu1 O12 78.1(4) . . ?
O14 Eu1 O12 79.4(5) . . ?
O20 Eu1 O8 92.7(4) . 2_756 ?
O14 Eu1 O8 150.1(5) . 2_756 ?
O12 Eu1 O8 73.9(4) . 2_756 ?
O20 Eu1 O7W 148.6(4) . . ?
O14 Eu1 O7W 77.6(5) . . ?
O12 Eu1 O7W 70.5(5) . . ?
O8 Eu1 O7W 81.0(5) 2_756 . ?
O20 Eu1 O6W 79.0(4) . . ?
O14 Eu1 O6W 75.0(4) . . ?
O12 Eu1 O6W 143.9(4) . . ?
O8 Eu1 O6W 134.8(4) 2_756 . ?
O7W Eu1 O6W 126.5(5) . . ?
O20 Eu1 O9 77.7(4) . 2_756 ?
O14 Eu1 O9 156.8(4) . 2_756 ?
O12 Eu1 O9 119.4(4) . 2_756 ?
O8 Eu1 O9 53.0(4) 2_756 2_756 ?
O7W Eu1 O9 119.9(5) . 2_756 ?
O6W Eu1 O9 82.0(4) . 2_756 ?
O20 Eu1 O5W 140.9(4) . . ?
O14 Eu1 O5W 107.9(5) . . ?
O12 Eu1 O5W 136.2(4) . . ?
O8 Eu1 O5W 83.3(4) 2_756 . ?
O7W Eu1 O5W 69.3(5) . . ?
O6W Eu1 O5W 76.8(4) . . ?
O9 Eu1 O5W 69.0(4) 2_756 . ?
O20 Eu1 C30 87.5(5) . 2_756 ?
O14 Eu1 C30 176.5(5) . 2_756 ?
O12 Eu1 C30 98.5(4) . 2_756 ?
O8 Eu1 C30 26.8(4) 2_756 2_756 ?
O7W Eu1 C30 99.1(5) . 2_756 ?
O6W Eu1 C30 108.1(5) . 2_756 ?
O9 Eu1 C30 26.5(4) 2_756 2_756 ?
O5W Eu1 C30 71.6(4) . 2_756 ?
O2 Eu2 O11 82.8(5) 1_565 . ?
O2 Eu2 O18 76.1(5) 1_565 1_655 ?
O11 Eu2 O18 130.7(4) . 1_655 ?
O2 Eu2 O2W 136.1(5) 1_565 . ?
O11 Eu2 O2W 104.1(4) . . ?
O18 Eu2 O2W 122.1(4) 1_655 . ?
O2 Eu2 O4W 148.0(5) 1_565 . ?
O11 Eu2 O4W 71.6(5) . . ?
O18 Eu2 O4W 106.2(5) 1_655 . ?
O2W Eu2 O4W 70.7(5) . . ?
O2 Eu2 O1W 78.4(5) 1_565 . ?
O11 Eu2 O1W 144.5(5) . . ?
O18 Eu2 O1W 73.1(5) 1_655 . ?
O2W Eu2 O1W 71.4(5) . . ?
O4W Eu2 O1W 133.4(5) . . ?
O2 Eu2 O3W 73.0(5) 1_565 . ?
O11 Eu2 O3W 67.8(4) . . ?
O18 Eu2 O3W 141.1(4) 1_655 . ?
O2W Eu2 O3W 70.1(4) . . ?
O4W Eu2 O3W 112.6(5) . . ?
O1W Eu2 O3W 77.9(5) . . ?
O2 Eu2 O17 126.4(5) 1_565 1_655 ?
O11 Eu2 O17 138.6(5) . 1_655 ?
O18 Eu2 O17 51.7(4) 1_655 1_655 ?
O2W Eu2 O17 76.0(4) . 1_655 ?
O4W Eu2 O17 69.6(5) . 1_655 ?
O1W Eu2 O17 75.8(4) . 1_655 ?
O3W Eu2 O17 142.2(4) . 1_655 ?
O2 Eu2 O10 77.2(4) 1_565 . ?
O11 Eu2 O10 61.6(4) . . ?
O18 Eu2 O10 70.3(4) 1_655 . ?
O2W Eu2 O10 144.5(4) . . ?
O4W Eu2 O10 73.9(4) . . ?
O1W Eu2 O10 139.8(4) . . ?
O3W Eu2 O10 123.5(4) . . ?
O17 Eu2 O10 93.9(4) 1_655 . ?
O2 Eu2 C48 101.6(5) 1_565 1_655 ?
O11 Eu2 C48 141.0(5) . 1_655 ?
O18 Eu2 C48 26.2(4) 1_655 1_655 ?
O2W Eu2 C48 99.1(5) . 1_655 ?
O4W Eu2 C48 87.4(5) . 1_655 ?
O1W Eu2 C48 72.9(5) . 1_655 ?
O3W Eu2 C48 150.9(5) . 1_655 ?
O17 Eu2 C48 25.5(4) 1_655 1_655 ?
O10 Eu2 C48 81.3(4) . 1_655 ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C1 C2 C3 107(2) . . ?
C1 C2 H2A 110.2 . . ?
C3 C2 H2A 110.2 . . ?
C1 C2 H2B 110.2 . . ?
C3 C2 H2B 110.2 . . ?
H2A C2 H2B 108.5 . . ?
C4 C3 C2 115(2) . . ?
C4 C3 H3A 108.5 . . ?
C2 C3 H3A 108.5 . . ?
C4 C3 H3B 108.5 . . ?
C2 C3 H3B 108.5 . . ?
H3A C3 H3B 107.5 . . ?
C3 C4 C5 122(2) . . ?
C3 C4 H4A 106.9 . . ?
C5 C4 H4A 106.9 . . ?
C3 C4 H4B 106.9 . . ?
C5 C4 H4B 106.9 . . ?
H4A C4 H4B 106.7 . . ?
C4 C5 C6 114(2) . . ?
C4 C5 H5A 108.7 . . ?
C6 C5 H5A 108.7 . . ?
C4 C5 H5B 108.7 . . ?
C6 C5 H5B 108.7 . . ?
H5A C5 H5B 107.6 . . ?
C7 C6 C5 111(2) . . ?
C7 C6 C59 111(2) . . ?
C5 C6 C59 112(2) . . ?
C7 C6 H6 107.8 . . ?
C5 C6 H6 107.8 . . ?
C59 C6 H6 107.8 . . ?
C12 C7 C8 117.2(18) . . ?
C12 C7 C6 122.8(18) . . ?
C8 C7 C6 119.9(19) . . ?
O1 C8 C7 117.0(16) . . ?
O1 C8 C9 123.6(14) . . ?
C7 C8 C9 119.4(16) . . ?
C10 C9 C8 116.8(15) . . ?
C10 C9 H9 121.6 . . ?
C8 C9 H9 121.6 . . ?
C11 C10 C9 126.2(17) . . ?
C11 C10 O3 115.5(18) . . ?
C9 C10 O3 117.5(16) . . ?
C10 C11 C12 115.4(16) . . ?
C10 C11 C22 123.2(16) . . ?
C12 C11 C22 121.3(14) . . ?
C7 C12 C11 124.6(16) . . ?
C7 C12 H12 117.7 . . ?
C11 C12 H12 117.7 . . ?
O1 C13 C14 115.4(14) . . ?
O1 C13 H13A 108.4 . . ?
C14 C13 H13A 108.4 . . ?
O1 C13 H13B 108.4 . . ?
C14 C13 H13B 108.4 . . ?
H13A C13 H13B 107.5 . . ?
O6 C14 O2 126.2(19) . . ?
O6 C14 C13 120.2(16) . . ?
O2 C14 C13 113.6(17) . . ?
O3 C15 C16 117.3(19) . . ?
O3 C15 H15A 108.0 . . ?
C16 C15 H15A 108.0 . . ?
O3 C15 H15B 108.0 . . ?
C16 C15 H15B 108.0 . . ?
H15A C15 H15B 107.2 . . ?
O4 C16 O5 123(3) . . ?
O4 C16 C15 122(3) . . ?
O5 C16 C15 115(2) . . ?
C18 C17 H17A 109.5 . . ?
C18 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C18 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 C17 101(4) . . ?
C19 C18 H18A 111.6 . . ?
C17 C18 H18A 111.6 . . ?
C19 C18 H18B 111.6 . . ?
C17 C18 H18B 111.6 . . ?
H18A C18 H18B 109.4 . . ?
C18 C19 C20 106(2) . . ?
C18 C19 H19A 110.6 . . ?
C20 C19 H19A 110.6 . . ?
C18 C19 H19B 110.6 . . ?
C20 C19 H19B 110.6 . . ?
H19A C19 H19B 108.7 . . ?
C21 C20 C19 114(2) . . ?
C21 C20 H20A 108.7 . . ?
C19 C20 H20A 108.7 . . ?
C21 C20 H20B 108.7 . . ?
C19 C20 H20B 108.7 . . ?
H20A C20 H20B 107.6 . . ?
C20 C21 C22 109.9(17) . . ?
C20 C21 H21A 109.7 . . ?
C22 C21 H21A 109.7 . . ?
C20 C21 H21B 109.7 . . ?
C22 C21 H21B 109.7 . . ?
H21A C21 H21B 108.2 . . ?
C11 C22 C23 111.6(14) . . ?
C11 C22 C21 110.7(15) . . ?
C23 C22 C21 112.7(14) . . ?
C11 C22 H22 107.2 . . ?
C23 C22 H22 107.2 . . ?
C21 C22 H22 107.2 . . ?
C28 C23 C24 114.3(14) . . ?
C28 C23 C22 127.7(15) . . ?
C24 C23 C22 117.8(13) . . ?
O7 C24 C25 123.8(14) . . ?
O7 C24 C23 115.8(13) . . ?
C25 C24 C23 120.3(14) . . ?
C26 C25 C24 119.8(15) . . ?
C26 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
C25 C26 C27 122.9(16) . . ?
C25 C26 O10 115.3(14) . . ?
C27 C26 O10 121.4(15) . . ?
C28 C27 C26 117.5(15) . . ?
C28 C27 C38 123.0(15) . . ?
C26 C27 C38 119.3(15) . . ?
C27 C28 C23 125.2(15) . . ?
C27 C28 H28 117.4 . . ?
C23 C28 H28 117.4 . . ?
O7 C29 C30 116.1(14) . . ?
O7 C29 H29A 108.3 . . ?
C30 C29 H29A 108.3 . . ?
O7 C29 H29B 108.3 . . ?
C30 C29 H29B 108.3 . . ?
H29A C29 H29B 107.4 . . ?
O9 C30 O8 121.2(17) . . ?
O9 C30 C29 119.3(15) . . ?
O8 C30 C29 118.7(15) . . ?
O9 C30 Eu1 63.8(10) . 2_756 ?
O8 C30 Eu1 58.5(9) . 2_756 ?
C29 C30 Eu1 160.1(12) . 2_756 ?
O10 C31 C32 107.9(14) . . ?
O10 C31 H31A 110.1 . . ?
C32 C31 H31A 110.1 . . ?
O10 C31 H31B 110.1 . . ?
C32 C31 H31B 110.1 . . ?
H31A C31 H31B 108.4 . . ?
O11 C32 O12 120.9(17) . . ?
O11 C32 C31 120.0(15) . . ?
O12 C32 C31 118.4(15) . . ?
C34 C33 H33A 109.5 . . ?
C34 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C34 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C33 C34 C35 117(3) . . ?
C33 C34 H34A 108.1 . . ?
C35 C34 H34A 108.1 . . ?
C33 C34 H34B 108.1 . . ?
C35 C34 H34B 108.1 . . ?
H34A C34 H34B 107.3 . . ?
C36 C35 C34 118(3) . . ?
C36 C35 H35A 107.8 . . ?
C34 C35 H35A 107.8 . . ?
C36 C35 H35B 107.8 . . ?
C34 C35 H35B 107.8 . . ?
H35A C35 H35B 107.1 . . ?
C35 C36 C37 114(2) . . ?
C35 C36 H36A 108.9 . . ?
C37 C36 H36A 108.9 . . ?
C35 C36 H36B 108.9 . . ?
C37 C36 H36B 108.9 . . ?
H36A C36 H36B 107.7 . . ?
C36 C37 C38 115.2(16) . . ?
C36 C37 H37A 108.5 . . ?
C38 C37 H37A 108.5 . . ?
C36 C37 H37B 108.5 . . ?
C38 C37 H37B 108.5 . . ?
H37A C37 H37B 107.5 . . ?
C39 C38 C37 107.6(14) . . ?
C39 C38 C27 113.6(14) . . ?
C37 C38 C27 112.6(14) . . ?
C39 C38 H38 107.6 . . ?
C37 C38 H38 107.6 . . ?
C27 C38 H38 107.6 . . ?
C44 C39 C40 114.3(14) . . ?
C44 C39 C38 121.4(16) . . ?
C40 C39 C38 124.3(16) . . ?
C41 C40 O13 125.4(16) . . ?
C41 C40 C39 124.6(17) . . ?
O13 C40 C39 109.9(13) . . ?
C40 C41 C42 120.6(17) . . ?
C40 C41 H41 119.7 . . ?
C42 C41 H41 119.7 . . ?
C43 C42 O16 117.4(15) . . ?
C43 C42 C41 120.6(15) . . ?
O16 C42 C41 121.9(15) . . ?
C42 C43 C44 117.2(15) . . ?
C42 C43 C54 122.4(15) . . ?
C44 C43 C54 120.4(15) . . ?
C39 C44 C43 122.4(15) . . ?
C39 C44 H44 118.8 . . ?
C43 C44 H44 118.8 . . ?
O13 C45 C46 114.4(14) . . ?
O13 C45 H45A 108.7 . . ?
C46 C45 H45A 108.7 . . ?
O13 C45 H45B 108.7 . . ?
C46 C45 H45B 108.7 . . ?
H45A C45 H45B 107.6 . . ?
O15 C46 O14 127.2(19) . . ?
O15 C46 C45 114.0(16) . . ?
O14 C46 C45 118.7(16) . . ?
O16 C47 C48 116.0(14) . . ?
O16 C47 H47A 108.3 . . ?
C48 C47 H47A 108.3 . . ?
O16 C47 H47B 108.3 . . ?
C48 C47 H47B 108.3 . . ?
H47A C47 H47B 107.4 . . ?
O17 C48 O18 124.0(17) . . ?
O17 C48 C47 124.3(15) . . ?
O18 C48 C47 111.6(15) . . ?
O17 C48 Eu2 66.7(10) . 1_455 ?
O18 C48 Eu2 57.3(9) . 1_455 ?
C47 C48 Eu2 168.4(11) . 1_455 ?
C50 C49 H49A 109.5 . . ?
C50 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C50 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C51 C50 C49 113(3) . . ?
C51 C50 H50A 108.9 . . ?
C49 C50 H50A 108.9 . . ?
C51 C50 H50B 108.9 . . ?
C49 C50 H50B 108.9 . . ?
H50A C50 H50B 107.7 . . ?
C50 C51 C52 113(2) . . ?
C50 C51 H51A 109.0 . . ?
C52 C51 H51A 109.0 . . ?
C50 C51 H51B 109.0 . . ?
C52 C51 H51B 109.0 . . ?
H51A C51 H51B 107.8 . . ?
C53 C52 C51 114(2) . . ?
C53 C52 H52A 108.7 . . ?
C51 C52 H52A 108.7 . . ?
C53 C52 H52B 108.7 . . ?
C51 C52 H52B 108.7 . . ?
H52A C52 H52B 107.6 . . ?
C52 C53 C54 112.3(17) . . ?
C52 C53 H53A 109.2 . . ?
C54 C53 H53A 109.2 . . ?
C52 C53 H53B 109.2 . . ?
C54 C53 H53B 109.2 . . ?
H53A C53 H53B 107.9 . . ?
C55 C54 C43 113.7(13) . . ?
C55 C54 C53 113.6(14) . . ?
C43 C54 C53 110.4(14) . . ?
C55 C54 H54 106.2 . . ?
C43 C54 H54 106.2 . . ?
C53 C54 H54 106.2 . . ?
C56 C55 C60 116.3(15) . . ?
C56 C55 C54 120.7(14) . . ?
C60 C55 C54 123.0(15) . . ?
O19 C56 C57 118.2(16) . . ?
O19 C56 C55 119.3(14) . . ?
C57 C56 C55 122.3(16) . . ?
C56 C57 C58 119.4(16) . . ?
C56 C57 H57 120.3 . . ?
C58 C57 H57 120.3 . . ?
C59 C58 O22 118.6(17) . . ?
C59 C58 C57 120.8(18) . . ?
O22 C58 C57 120.5(15) . . ?
C58 C59 C60 119(2) . . ?
C58 C59 C6 117(2) . . ?
C60 C59 C6 124(2) . . ?
C59 C60 C55 121.9(18) . . ?
C59 C60 H60 119.0 . . ?
C55 C60 H60 119.0 . . ?
O19 C61 C62 115.7(17) . . ?
O19 C61 H61A 108.4 . . ?
C62 C61 H61A 108.4 . . ?
O19 C61 H61B 108.4 . . ?
C62 C61 H61B 108.4 . . ?
H61A C61 H61B 107.4 . . ?
O21 C62 O20 125.8(17) . . ?
O21 C62 C61 120.5(17) . . ?
O20 C62 C61 113.6(15) . . ?
O22 C63 C64 116.6(17) . . ?
O22 C63 H63A 108.2 . . ?
C64 C63 H63A 108.2 . . ?
O22 C63 H63B 108.2 . . ?
C64 C63 H63B 108.2 . . ?
H63A C63 H63B 107.3 . . ?
O23 C64 O24 122.6(18) . . ?
O23 C64 C63 120.5(17) . . ?
O24 C64 C63 116.3(17) . . ?
N1 C65 H65A 109.5 . . ?
N1 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
N1 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
N1 C66 H66A 109.5 . . ?
N1 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
N1 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C65 N1 C66 104.7(18) . . ?
C8 O1 C13 118.6(13) . . ?
C14 O2 Eu2 143.8(14) . 1_545 ?
C15 O3 C10 120.1(15) . . ?
C24 O7 C29 118.0(13) . . ?
C30 O8 Eu1 94.7(10) . 2_756 ?
C30 O9 Eu1 89.7(11) . 2_756 ?
C26 O10 C31 114.0(12) . . ?
C26 O10 Eu2 123.8(8) . . ?
C31 O10 Eu2 120.3(10) . . ?
C32 O11 Eu2 128.6(12) . . ?
C32 O12 Eu1 140.8(11) . . ?
C40 O13 C45 114.3(12) . . ?
C46 O14 Eu1 138.8(13) . . ?
C42 O16 C47 119.1(13) . . ?
C48 O17 Eu2 87.7(11) . 1_455 ?
C48 O18 Eu2 96.5(11) . 1_455 ?
C56 O19 C61 115.6(13) . . ?
C62 O20 Eu1 133.6(11) . . ?
C58 O22 C63 114.4(14) . . ?
C64 O23 H23 109.5 . . ?

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
C1 C2 C3 C4 -26(4) . . . . ?
C2 C3 C4 C5 173(3) . . . . ?
C3 C4 C5 C6 173(3) . . . . ?
C4 C5 C6 C7 169(2) . . . . ?
C4 C5 C6 C59 -67(3) . . . . ?
C5 C6 C7 C12 83(3) . . . . ?
C59 C6 C7 C12 -42(3) . . . . ?
C5 C6 C7 C8 -94(3) . . . . ?
C59 C6 C7 C8 141(2) . . . . ?
C12 C7 C8 O1 -178.9(16) . . . . ?
C6 C7 C8 O1 -2(3) . . . . ?
C12 C7 C8 C9 2(3) . . . . ?
C6 C7 C8 C9 178.1(19) . . . . ?
O1 C8 C9 C10 -179.4(17) . . . . ?
C7 C8 C9 C10 0(3) . . . . ?
C8 C9 C10 C11 -5(3) . . . . ?
C8 C9 C10 O3 -174.0(16) . . . . ?
C9 C10 C11 C12 7(3) . . . . ?
O3 C10 C11 C12 176.4(15) . . . . ?
C9 C10 C11 C22 -169.4(18) . . . . ?
O3 C10 C11 C22 0(3) . . . . ?
C8 C7 C12 C11 1(3) . . . . ?
C6 C7 C12 C11 -175.7(19) . . . . ?
C10 C11 C12 C7 -5(3) . . . . ?
C22 C11 C12 C7 171.6(17) . . . . ?
O1 C13 C14 O6 1(2) . . . . ?
O1 C13 C14 O2 -178.9(15) . . . . ?
O3 C15 C16 O4 161(2) . . . . ?
O3 C15 C16 O5 -22(3) . . . . ?
C17 C18 C19 C20 -161(3) . . . . ?
C18 C19 C20 C21 -74(4) . . . . ?
C19 C20 C21 C22 172(2) . . . . ?
C10 C11 C22 C23 -122.3(19) . . . . ?
C12 C11 C22 C23 62(2) . . . . ?
C10 C11 C22 C21 111(2) . . . . ?
C12 C11 C22 C21 -65(2) . . . . ?
C20 C21 C22 C11 -63(2) . . . . ?
C20 C21 C22 C23 171.4(18) . . . . ?
C11 C22 C23 C28 -114.0(18) . . . . ?
C21 C22 C23 C28 11(2) . . . . ?
C11 C22 C23 C24 71.9(18) . . . . ?
C21 C22 C23 C24 -162.8(15) . . . . ?
C28 C23 C24 O7 -179.0(14) . . . . ?
C22 C23 C24 O7 -4(2) . . . . ?
C28 C23 C24 C25 -1(2) . . . . ?
C22 C23 C24 C25 173.4(14) . . . . ?
O7 C24 C25 C26 177.4(15) . . . . ?
C23 C24 C25 C26 0(2) . . . . ?
C24 C25 C26 C27 2(3) . . . . ?
C24 C25 C26 O10 -171.5(14) . . . . ?
C25 C26 C27 C28 -2(3) . . . . ?
O10 C26 C27 C28 171.1(14) . . . . ?
C25 C26 C27 C38 -177.2(15) . . . . ?
O10 C26 C27 C38 -4(2) . . . . ?
C26 C27 C28 C23 0(3) . . . . ?
C38 C27 C28 C23 175.3(15) . . . . ?
C24 C23 C28 C27 2(2) . . . . ?
C22 C23 C28 C27 -172.7(16) . . . . ?
O7 C29 C30 O9 -168.6(14) . . . . ?
O7 C29 C30 O8 21(2) . . . . ?
O7 C29 C30 Eu1 98(3) . . . 2_756 ?
O10 C31 C32 O11 14(2) . . . . ?
O10 C31 C32 O12 -175.3(14) . . . . ?
C33 C34 C35 C36 180(4) . . . . ?
C34 C35 C36 C37 -167(3) . . . . ?
C35 C36 C37 C38 173(2) . . . . ?
C36 C37 C38 C39 175.1(17) . . . . ?
C36 C37 C38 C27 -59(2) . . . . ?
C28 C27 C38 C39 86(2) . . . . ?
C26 C27 C38 C39 -98.9(19) . . . . ?
C28 C27 C38 C37 -37(2) . . . . ?
C26 C27 C38 C37 138.4(16) . . . . ?
C37 C38 C39 C44 83(2) . . . . ?
C27 C38 C39 C44 -42(2) . . . . ?
C37 C38 C39 C40 -94(2) . . . . ?
C27 C38 C39 C40 140.2(17) . . . . ?
C44 C39 C40 C41 -5(3) . . . . ?
C38 C39 C40 C41 172.7(18) . . . . ?
C44 C39 C40 O13 178.7(15) . . . . ?
C38 C39 C40 O13 -3(2) . . . . ?
O13 C40 C41 C42 -179.1(16) . . . . ?
C39 C40 C41 C42 5(3) . . . . ?
C40 C41 C42 C43 0(3) . . . . ?
C40 C41 C42 O16 177.2(17) . . . . ?
O16 C42 C43 C44 177.7(15) . . . . ?
C41 C42 C43 C44 -5(3) . . . . ?
O16 C42 C43 C54 1(3) . . . . ?
C41 C42 C43 C54 178.1(16) . . . . ?
C40 C39 C44 C43 0(3) . . . . ?
C38 C39 C44 C43 -178.1(16) . . . . ?
C42 C43 C44 C39 5(3) . . . . ?
C54 C43 C44 C39 -178.0(16) . . . . ?
O13 C45 C46 O15 -167.0(15) . . . . ?
O13 C45 C46 O14 15(2) . . . . ?
O16 C47 C48 O17 11(2) . . . . ?
O16 C47 C48 O18 -166.3(14) . . . . ?
O16 C47 C48 Eu2 -150(5) . . . 1_455 ?
C49 C50 C51 C52 178(3) . . . . ?
C50 C51 C52 C53 -177(2) . . . . ?
C51 C52 C53 C54 178.5(19) . . . . ?
C42 C43 C54 C55 -130.8(17) . . . . ?
C44 C43 C54 C55 52(2) . . . . ?
C42 C43 C54 C53 100.2(19) . . . . ?
C44 C43 C54 C53 -76.8(19) . . . . ?
C52 C53 C54 C55 169.0(16) . . . . ?
C52 C53 C54 C43 -62(2) . . . . ?
C43 C54 C55 C56 62.9(19) . . . . ?
C53 C54 C55 C56 -169.7(14) . . . . ?
C43 C54 C55 C60 -117.3(16) . . . . ?
C53 C54 C55 C60 10(2) . . . . ?
C60 C55 C56 O19 176.0(13) . . . . ?
C54 C55 C56 O19 -4(2) . . . . ?
C60 C55 C56 C57 -9(2) . . . . ?
C54 C55 C56 C57 170.9(15) . . . . ?
O19 C56 C57 C58 179.5(14) . . . . ?
C55 C56 C57 C58 4(2) . . . . ?
C56 C57 C58 C59 2(3) . . . . ?
C56 C57 C58 O22 179.5(15) . . . . ?
O22 C58 C59 C60 179.5(18) . . . . ?
C57 C58 C59 C60 -3(3) . . . . ?
O22 C58 C59 C6 -4(3) . . . . ?
C57 C58 C59 C6 173.8(19) . . . . ?
C7 C6 C59 C58 -85(3) . . . . ?
C5 C6 C59 C58 151(2) . . . . ?
C7 C6 C59 C60 92(3) . . . . ?
C5 C6 C59 C60 -32(4) . . . . ?
C58 C59 C60 C55 -2(3) . . . . ?
C6 C59 C60 C55 -179(2) . . . . ?
C56 C55 C60 C59 8(2) . . . . ?
C54 C55 C60 C59 -171.9(17) . . . . ?
O19 C61 C62 O21 14(2) . . . . ?
O19 C61 C62 O20 -169.1(14) . . . . ?
O22 C63 C64 O23 151.8(19) . . . . ?
O22 C63 C64 O24 -37(3) . . . . ?
C7 C8 O1 C13 170.1(15) . . . . ?
C9 C8 O1 C13 -10(2) . . . . ?
C14 C13 O1 C8 84.6(19) . . . . ?
O6 C14 O2 Eu2 6(4) . . . 1_545 ?
C13 C14 O2 Eu2 -174.0(15) . . . 1_545 ?
C16 C15 O3 C10 -73(2) . . . . ?
C11 C10 O3 C15 -167.5(18) . . . . ?
C9 C10 O3 C15 3(3) . . . . ?
C25 C24 O7 C29 -34(2) . . . . ?
C23 C24 O7 C29 143.8(15) . . . . ?
C30 C29 O7 C24 88.7(18) . . . . ?
O9 C30 O8 Eu1 -12.8(17) . . . 2_756 ?
C29 C30 O8 Eu1 157.2(13) . . . 2_756 ?
O8 C30 O9 Eu1 12.2(16) . . . 2_756 ?
C29 C30 O9 Eu1 -157.8(14) . . . 2_756 ?
C25 C26 O10 C31 -103.0(17) . . . . ?
C27 C26 O10 C31 83.8(19) . . . . ?
C25 C26 O10 Eu2 61.2(17) . . . . ?
C27 C26 O10 Eu2 -112.0(14) . . . . ?
C32 C31 O10 C26 155.0(14) . . . . ?
C32 C31 O10 Eu2 -9.9(18) . . . . ?
O2 Eu2 O10 C26 111.9(12) 1_565 . . . ?
O11 Eu2 O10 C26 -159.4(13) . . . . ?
O18 Eu2 O10 C26 32.3(11) 1_655 . . . ?
O2W Eu2 O10 C26 -85.8(13) . . . . ?
O4W Eu2 O10 C26 -82.0(12) . . . . ?
O1W Eu2 O10 C26 58.0(13) . . . . ?
O3W Eu2 O10 C26 171.2(11) . . . . ?
O17 Eu2 O10 C26 -14.6(12) 1_655 . . . ?
C48 Eu2 O10 C26 7.8(12) 1_655 . . . ?
O2 Eu2 O10 C31 -84.8(12) 1_565 . . . ?
O11 Eu2 O10 C31 3.9(11) . . . . ?
O18 Eu2 O10 C31 -164.4(12) 1_655 . . . ?
O2W Eu2 O10 C31 77.5(13) . . . . ?
O4W Eu2 O10 C31 81.3(12) . . . . ?
O1W Eu2 O10 C31 -138.7(12) . . . . ?
O3W Eu2 O10 C31 -25.5(13) . . . . ?
O17 Eu2 O10 C31 148.7(12) 1_655 . . . ?
C48 Eu2 O10 C31 171.0(12) 1_655 . . . ?
O12 C32 O11 Eu2 176.6(11) . . . . ?
C31 C32 O11 Eu2 -13(2) . . . . ?
O2 Eu2 O11 C32 84.2(16) 1_565 . . . ?
O18 Eu2 O11 C32 19.5(18) 1_655 . . . ?
O2W Eu2 O11 C32 -140.0(15) . . . . ?
O4W Eu2 O11 C32 -76.3(16) . . . . ?
O1W Eu2 O11 C32 142.4(14) . . . . ?
O3W Eu2 O11 C32 158.8(17) . . . . ?
O17 Eu2 O11 C32 -55.3(18) 1_655 . . . ?
O10 Eu2 O11 C32 4.9(14) . . . . ?
C48 Eu2 O11 C32 -15(2) 1_655 . . . ?
O11 C32 O12 Eu1 151.7(14) . . . . ?
C31 C32 O12 Eu1 -19(3) . . . . ?
O20 Eu1 O12 C32 58.3(18) . . . . ?
O14 Eu1 O12 C32 -38.9(18) . . . . ?
O8 Eu1 O12 C32 154.6(19) 2_756 . . . ?
O7W Eu1 O12 C32 -119.4(19) . . . . ?
O6W Eu1 O12 C32 6(2) . . . . ?
O9 Eu1 O12 C32 126.6(18) 2_756 . . . ?
O5W Eu1 O12 C32 -143.8(17) . . . . ?
C30 Eu1 O12 C32 143.9(18) 2_756 . . . ?
C41 C40 O13 C45 9(2) . . . . ?
C39 C40 O13 C45 -174.8(14) . . . . ?
C46 C45 O13 C40 63.1(18) . . . . ?
O15 C46 O14 Eu1 -13(3) . . . . ?
C45 C46 O14 Eu1 164.5(12) . . . . ?
O20 Eu1 O14 C46 161.1(18) . . . . ?
O12 Eu1 O14 C46 -122.0(19) . . . . ?
O8 Eu1 O14 C46 -95(2) 2_756 . . . ?
O7W Eu1 O14 C46 -49.8(18) . . . . ?
O6W Eu1 O14 C46 83.8(18) . . . . ?
O9 Eu1 O14 C46 92(2) 2_756 . . . ?
O5W Eu1 O14 C46 13.3(19) . . . . ?
C30 Eu1 O14 C46 -69(9) 2_756 . . . ?
C43 C42 O16 C47 -150.4(16) . . . . ?
C41 C42 O16 C47 32(2) . . . . ?
C48 C47 O16 C42 -91.4(18) . . . . ?
O18 C48 O17 Eu2 1.1(19) . . . 1_455 ?
C47 C48 O17 Eu2 -176.0(16) . . . 1_455 ?
O17 C48 O18 Eu2 -1(2) . . . 1_455 ?
C47 C48 O18 Eu2 176.3(11) . . . 1_455 ?
C57 C56 O19 C61 87.1(19) . . . . ?
C55 C56 O19 C61 -97.6(18) . . . . ?
C62 C61 O19 C56 -102.5(18) . . . . ?
O21 C62 O20 Eu1 -104(2) . . . . ?
C61 C62 O20 Eu1 79.6(18) . . . . ?
O14 Eu1 O20 C62 -85.0(15) . . . . ?
O12 Eu1 O20 C62 -163.1(16) . . . . ?
O8 Eu1 O20 C62 124.0(15) 2_756 . . . ?
O7W Eu1 O20 C62 -158.9(14) . . . . ?
O6W Eu1 O20 C62 -11.2(15) . . . . ?
O9 Eu1 O20 C62 72.9(15) 2_756 . . . ?
O5W Eu1 O20 C62 41.3(18) . . . . ?
C30 Eu1 O20 C62 97.7(15) 2_756 . . . ?
C59 C58 O22 C63 -131.5(19) . . . . ?
C57 C58 O22 C63 51(2) . . . . ?
C64 C63 O22 C58 -96(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.829
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.977
_refine_diff_density_max         3.342
_refine_diff_density_min         -2.638
_refine_diff_density_rms         0.259
_chemical_properties_physical    Light-sensitive
_exptl_crystal_preparation       Luminescent
