# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_Sm
_database_code_depnum_ccdc_archive 'CCDC 1009366'
_audit_update_record             
;
2014-06-20 deposited with the CCDC.
2015-01-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H24 F18 N2 O10 Sm'
_chemical_formula_weight         1064.87

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'
F F 0.0171 0.0103 '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'
Sm Sm -0.1638 3.4418 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   22.223(4)
_cell_length_b                   16.599(3)
_cell_length_c                   23.438(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 117.450(2)
_cell_angle_gamma                90.00
_cell_volume                     7672(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    113(2)
_cell_measurement_reflns_used    24102
_cell_measurement_theta_min      1.6
_cell_measurement_theta_max      28.0

_exptl_crystal_description       Prism
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.844
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4175
_exptl_absorpt_coefficient_mu    1.674
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.794
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   CrystalClear

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      113(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            62463
_diffrn_reflns_av_R_equivalents  0.0534
_diffrn_reflns_av_sigmaI/netI    0.0452
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.57
_diffrn_reflns_theta_max         25.01
_reflns_number_total             13533
_reflns_number_gt                12441
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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 > 2sigma(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)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         13533
_refine_ls_number_parameters     1111
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0440
_refine_ls_wR_factor_ref         0.1442
_refine_ls_wR_factor_gt          0.1389
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001

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
Sm1 Sm 0.491992(11) 0.131430(14) 0.262325(11) 0.02070(10) Uani 1 1 d . . .
Sm2 Sm -0.011803(11) 0.324291(14) 0.252103(10) 0.01923(10) Uani 1 1 d . . .
O1 O 0.25555(18) 0.3855(2) 0.21120(19) 0.0445(9) Uani 1 1 d . . .
O2 O 0.40044(17) 0.3448(2) 0.10985(16) 0.0363(8) Uani 1 1 d . . .
O3 O 0.55598(17) 0.50053(19) 0.25519(17) 0.0345(8) Uani 1 1 d . . .
O4 O 0.50614(16) 0.23494(18) 0.19682(15) 0.0288(7) Uani 1 1 d . . .
O5 O 0.48754(16) 0.08132(18) 0.16286(15) 0.0272(7) Uani 1 1 d . . .
O6 O 0.37795(16) 0.14240(19) 0.18091(15) 0.0283(7) Uani 1 1 d . . .
O7 O 0.55381(16) 0.23775(18) 0.33536(15) 0.0281(7) Uani 1 1 d . . .
O8 O 0.42473(16) 0.18309(19) 0.30967(16) 0.0298(8) Uani 1 1 d . . .
O9 O 0.60744(14) 0.09352(18) 0.30277(14) 0.0227(7) Uani 1 1 d . . .
O10 O 0.52721(16) 0.0665(2) 0.36497(16) 0.0293(7) Uani 1 1 d . . .
O11 O 0.24576(17) 0.5640(2) 0.29581(18) 0.0414(9) Uani 1 1 d . . .
O12 O 0.09090(17) 0.6043(2) 0.38666(15) 0.0354(8) Uani 1 1 d . . .
O13 O -0.01112(16) 0.71550(17) 0.30352(15) 0.0268(7) Uani 1 1 d . . .
O14 O -0.06175(16) 0.45604(17) 0.22652(15) 0.0285(7) Uani 1 1 d . . .
O15 O -0.00952(16) 0.37109(18) 0.15549(15) 0.0258(7) Uani 1 1 d . . .
O16 O -0.12220(15) 0.30882(18) 0.16596(14) 0.0267(7) Uani 1 1 d . . .
O17 O 0.10430(15) 0.36429(18) 0.30163(14) 0.0238(7) Uani 1 1 d . . .
O18 O 0.01161(15) 0.39502(19) 0.34975(14) 0.0242(7) Uani 1 1 d . . .
O19 O 0.04979(15) 0.22338(17) 0.33332(14) 0.0248(7) Uani 1 1 d . . .
O20 O -0.08410(15) 0.2737(2) 0.29426(15) 0.0296(7) Uani 1 1 d . . .
N1 N 0.55842(19) 0.4296(2) 0.23396(19) 0.0250(8) Uani 1 1 d . . .
N2 N 0.53560(19) 0.3041(2) 0.20738(18) 0.0234(8) Uani 1 1 d . . .
N3 N -0.04163(19) 0.6470(2) 0.28643(18) 0.0229(8) Uani 1 1 d . . .
N4 N -0.06561(19) 0.5249(2) 0.24994(18) 0.0244(8) Uani 1 1 d . . .
F34 F -0.26229(19) 0.3430(3) 0.01884(18) 0.0929(16) Uani 1 1 d . . .
F14 F 0.3883(2) 0.2727(3) 0.4230(2) 0.1066(19) Uani 1 1 d . . .
F15 F 0.3753(3) 0.1490(3) 0.4005(3) 0.119(2) Uani 1 1 d . . .
F13 F 0.32239(19) 0.2323(3) 0.3304(2) 0.0916(15) Uani 1 1 d . . .
F16 F 0.60452(15) 0.39276(18) 0.39877(15) 0.0457(8) Uani 1 1 d . . .
F17 F 0.61813(18) 0.3311(2) 0.48527(15) 0.0553(9) Uani 1 1 d . . .
F1 F 0.73109(14) 0.07361(19) 0.31380(14) 0.0413(7) Uani 1 1 d . . .
F2 F 0.74317(16) 0.16299(19) 0.38425(16) 0.0427(8) Uani 1 1 d . . .
F3 F 0.77097(14) 0.0400(2) 0.41287(15) 0.0466(8) Uani 1 1 d . . .
F9 F 0.50602(18) -0.0139(2) 0.07789(15) 0.0533(9) Uani 1 1 d . . .
F18 F 0.66932(14) 0.29003(19) 0.43247(15) 0.0461(8) Uani 1 1 d . . .
C42 C 0.4449(2) 0.3796(3) 0.2179(2) 0.0250(10) Uani 1 1 d . . .
F10 F 0.23934(17) 0.0506(2) 0.06538(19) 0.0661(11) Uani 1 1 d . . .
F6 F 0.63911(16) -0.0097(2) 0.51602(14) 0.0486(8) Uani 1 1 d . . .
C52 C 0.3232(2) 0.3621(3) 0.1561(2) 0.0321(11) Uani 1 1 d . . .
H52 H 0.2853 0.3488 0.1178 0.039 Uiso 1 1 calc R . .
C56 C 0.6525(2) 0.0734(3) 0.3562(2) 0.0238(10) Uani 1 1 d . . .
C57 C 0.4413(2) 0.0738(3) 0.1073(2) 0.0275(10) Uani 1 1 d . . .
C58 C 0.5835(2) 0.0473(3) 0.4100(2) 0.0258(10) Uani 1 1 d . . .
F7 F 0.41517(17) 0.0302(3) 0.00107(15) 0.0625(11) Uani 1 1 d . . .
F8 F 0.5003(2) 0.1089(2) 0.04960(18) 0.0674(11) Uani 1 1 d . . .
C62 C 0.6461(2) 0.0475(3) 0.4095(2) 0.0261(10) Uani 1 1 d . . .
H62 H 0.6844 0.0299 0.4458 0.031 Uiso 1 1 calc R . .
F5 F 0.57027(19) 0.0880(2) 0.49926(16) 0.0541(9) Uani 1 1 d . . .
C64 C 0.5506(2) 0.2664(3) 0.3839(2) 0.0272(10) Uani 1 1 d . . .
C66 C 0.3162(2) 0.3835(3) 0.2099(3) 0.0323(11) Uani 1 1 d . . .
C67 C 0.5974(2) 0.3179(3) 0.1979(2) 0.0264(11) Uani 1 1 d . . .
C70 C 0.3722(3) 0.4056(3) 0.2671(2) 0.0355(12) Uani 1 1 d . . .
C20 C 0.5115(2) 0.3718(3) 0.2203(2) 0.0229(10) Uani 1 1 d . . .
H70 H 0.3667 0.4213 0.3025 0.043 Uiso 1 1 calc R . .
C71 C 0.7255(2) 0.0858(3) 0.3663(2) 0.0291(11) Uani 1 1 d . . .
F4 F 0.53276(16) -0.02939(19) 0.46132(14) 0.0500(8) Uani 1 1 d . . .
C78 C 0.4388(2) 0.2195(3) 0.3608(2) 0.0312(11) Uani 1 1 d . . .
C85 C 0.5813(2) 0.0237(3) 0.4721(2) 0.0327(12) Uani 1 1 d . . .
C90 C 0.3878(2) 0.3606(3) 0.1600(2) 0.0287(11) Uani 1 1 d . . .
C91 C 0.3716(3) 0.0855(3) 0.0855(3) 0.0397(13) Uani 1 1 d . . .
H91 H 0.3416 0.0730 0.0431 0.048 Uiso 1 1 calc R . .
C95 C 0.4359(2) 0.4040(3) 0.2707(2) 0.0283(10) Uani 1 1 d . . .
H95 H 0.4733 0.4193 0.3086 0.034 Uiso 1 1 calc R . .
C98 C 0.4991(3) 0.2586(3) 0.4009(2) 0.0314(11) Uani 1 1 d . . .
H98 H 0.5047 0.2799 0.4398 0.038 Uiso 1 1 calc R . .
F12 F 0.25166(19) 0.1146(4) 0.1469(2) 0.119(2) Uani 1 1 d . . .
C102 C 0.4654(3) 0.0498(3) 0.0576(2) 0.0380(12) Uani 1 1 d . . .
C103 C 0.3459(2) 0.1155(3) 0.1256(2) 0.0309(11) Uani 1 1 d . . .
C104 C 0.6115(3) 0.3196(3) 0.4261(3) 0.0357(13) Uani 1 1 d . . .
C107 C 0.6211(2) 0.4019(3) 0.2303(2) 0.0306(11) Uani 1 1 d . . .
C108 C 0.6773(3) 0.3974(3) 0.2993(3) 0.0432(14) Uani 1 1 d . . .
H10A H 0.6825 0.4491 0.3195 0.065 Uiso 1 1 calc R . .
H10B H 0.7190 0.3824 0.2994 0.065 Uiso 1 1 calc R . .
H10C H 0.6657 0.3580 0.3226 0.065 Uiso 1 1 calc R . .
F11 F 0.24014(18) 0.1768(2) 0.0614(2) 0.0811(15) Uani 1 1 d . . .
C118 C 0.6380(3) 0.4627(3) 0.1918(3) 0.0430(14) Uani 1 1 d . . .
H11A H 0.5998 0.4688 0.1500 0.065 Uiso 1 1 calc R . .
H11B H 0.6765 0.4444 0.1873 0.065 Uiso 1 1 calc R . .
H11C H 0.6482 0.5137 0.2136 0.065 Uiso 1 1 calc R . .
C119 C 0.2684(3) 0.1157(4) 0.0999(3) 0.0437(14) Uani 1 1 d . . .
C122 C 0.3456(3) 0.3214(4) 0.0499(3) 0.0448(15) Uani 1 1 d . . .
H12A H 0.3624 0.3106 0.0196 0.067 Uiso 1 1 calc R . .
H12B H 0.3128 0.3641 0.0339 0.067 Uiso 1 1 calc R . .
H12C H 0.3246 0.2737 0.0558 0.067 Uiso 1 1 calc R . .
C139 C 0.6472(3) 0.2487(3) 0.2296(3) 0.0394(13) Uani 1 1 d . . .
H13A H 0.6274 0.1991 0.2080 0.059 Uiso 1 1 calc R . .
H13B H 0.6573 0.2447 0.2740 0.059 Uiso 1 1 calc R . .
H13C H 0.6883 0.2588 0.2268 0.059 Uiso 1 1 calc R . .
C1D C 0.0559(2) 0.4205(3) 0.4608(2) 0.0336(12) Uani 1 1 d . . .
F35 F -0.25244(19) 0.3830(3) 0.1077(3) 0.118(2) Uani 1 1 d . . .
C1I C -0.1805(3) 0.5693(3) 0.1790(2) 0.0391(13) Uani 1 1 d . . .
H1IA H -0.1871 0.5212 0.1541 0.059 Uiso 1 1 calc R . .
H1IB H -0.1629 0.6111 0.1626 0.059 Uiso 1 1 calc R . .
H1IC H -0.2230 0.5862 0.1764 0.059 Uiso 1 1 calc R . .
C1J C -0.1553(3) 0.4860(3) 0.2779(3) 0.0394(13) Uani 1 1 d . . .
H1JA H -0.1916 0.5065 0.2853 0.059 Uiso 1 1 calc R . .
H1JB H -0.1188 0.4685 0.3180 0.059 Uiso 1 1 calc R . .
H1JC H -0.1714 0.4414 0.2487 0.059 Uiso 1 1 calc R . .
F28 F 0.0907(2) 0.4830(2) 0.49389(17) 0.0672(11) Uani 1 1 d . . .
F25 F 0.23264(14) 0.38150(19) 0.32650(13) 0.0395(7) Uani 1 1 d . . .
F19 F 0.16340(14) 0.18614(18) 0.44100(14) 0.0413(7) Uani 1 1 d . . .
F27 F 0.23933(15) 0.2912(2) 0.39450(17) 0.0524(9) Uani 1 1 d . . .
F20 F 0.10535(17) 0.1490(2) 0.48843(15) 0.0598(10) Uani 1 1 d . . .
F21 F 0.10361(16) 0.07753(18) 0.41142(17) 0.0497(9) Uani 1 1 d . . .
C39 C 0.2207(2) 0.3666(3) 0.3754(2) 0.0315(12) Uani 1 1 d . . .
C40 C -0.0162(2) 0.5804(3) 0.2711(2) 0.0239(10) Uani 1 1 d . . .
F32 F 0.01465(19) 0.4767(2) 0.08028(15) 0.0556(9) Uani 1 1 d . . .
F29 F -0.00645(17) 0.4269(3) 0.44817(16) 0.0839(15) Uani 1 1 d . . .
C47 C -0.0534(3) 0.3829(3) 0.0998(2) 0.0297(11) Uani 1 1 d . . .
F31 F -0.07417(19) 0.4369(2) -0.00271(15) 0.0624(10) Uani 1 1 d . . .
C50 C 0.0655(2) 0.4028(3) 0.4010(2) 0.0250(10) Uani 1 1 d . . .
F26 F 0.26135(14) 0.4157(2) 0.42376(15) 0.0504(9) Uani 1 1 d . . .
C53 C 0.0515(2) 0.5735(3) 0.2777(2) 0.0238(10) Uani 1 1 d . . .
F30 F 0.0808(2) 0.3585(3) 0.50195(17) 0.0760(12) Uani 1 1 d . . .
F33 F 0.0098(2) 0.3569(2) 0.04508(18) 0.0686(11) Uani 1 1 d . . .
C69 C 0.1455(2) 0.3779(3) 0.3587(2) 0.0253(10) Uani 1 1 d . . .
F36 F -0.25032(16) 0.2594(2) 0.08913(18) 0.0601(10) Uani 1 1 d . . .
C73 C 0.0643(2) 0.5521(3) 0.2268(2) 0.0266(10) Uani 1 1 d . . .
H73 H 0.0282 0.5398 0.1870 0.032 Uiso 1 1 calc R . .
C76 C 0.0431(2) 0.2004(3) 0.3811(2) 0.0250(10) Uani 1 1 d . . .
C77 C 0.1835(3) 0.5682(3) 0.2936(3) 0.0325(11) Uani 1 1 d . . .
C79 C 0.1317(2) 0.3964(3) 0.4096(2) 0.0294(11) Uani 1 1 d . . .
H79 H 0.1676 0.4046 0.4503 0.035 Uiso 1 1 calc R . .
C80 C 0.1291(3) 0.5490(3) 0.2344(2) 0.0350(12) Uani 1 1 d . . .
H80 H 0.1369 0.5340 0.2001 0.042 Uiso 1 1 calc R . .
C81 C -0.1523(2) 0.3365(3) 0.1098(2) 0.0280(11) Uani 1 1 d . . .
C83 C -0.1301(2) 0.5523(3) 0.2492(2) 0.0265(10) Uani 1 1 d . . .
C86 C -0.0717(2) 0.2454(3) 0.3475(2) 0.0306(11) Uani 1 1 d . . .
F23 F -0.18776(17) 0.2243(3) 0.3142(2) 0.0840(14) Uani 1 1 d . . .
C88 C 0.1069(2) 0.5899(3) 0.3381(2) 0.0286(10) Uani 1 1 d . . .
C89 C 0.1730(2) 0.5874(3) 0.3457(2) 0.0311(11) Uani 1 1 d . . .
H89 H 0.2096 0.5987 0.3854 0.037 Uiso 1 1 calc R . .
C92 C -0.0263(3) 0.4141(3) 0.0547(2) 0.0402(13) Uani 1 1 d . . .
C96 C -0.1242(3) 0.3710(3) 0.0737(2) 0.0332(12) Uani 1 1 d . . .
H96 H -0.1523 0.3865 0.0315 0.040 Uiso 1 1 calc R . .
C1G C 0.3811(3) 0.2197(4) 0.3800(3) 0.0446(14) Uani 1 1 d . . .
C1H C 0.1954(3) 0.3688(4) 0.1531(3) 0.0495(16) Uani 1 1 d . . .
H1HA H 0.1933 0.4038 0.1196 0.074 Uiso 1 1 calc R . .
H1HB H 0.1564 0.3776 0.1597 0.074 Uiso 1 1 calc R . .
H1HC H 0.1961 0.3137 0.1408 0.074 Uiso 1 1 calc R . .
C1K C 0.5719(3) 0.3166(3) 0.1250(3) 0.0430(14) Uani 1 1 d . . .
H1KA H 0.5538 0.2643 0.1085 0.064 Uiso 1 1 calc R . .
H1KB H 0.6088 0.3282 0.1157 0.064 Uiso 1 1 calc R . .
H1KC H 0.5370 0.3565 0.1051 0.064 Uiso 1 1 calc R . .
F24 F -0.12310(19) 0.2114(3) 0.4138(2) 0.1075(19) Uani 1 1 d U . .
C106 C -0.2292(3) 0.3306(3) 0.0818(3) 0.0397(14) Uani 1 1 d . . .
C109 C 0.1050(3) 0.1544(3) 0.4321(2) 0.0342(12) Uani 1 1 d . . .
C110 C 0.1443(3) 0.6268(3) 0.4482(3) 0.0428(14) Uani 1 1 d . . .
H11D H 0.1687 0.6718 0.4433 0.064 Uiso 1 1 calc R . .
H11E H 0.1747 0.5822 0.4665 0.064 Uiso 1 1 calc R . .
H11F H 0.1253 0.6416 0.4762 0.064 Uiso 1 1 calc R . .
C113 C -0.0117(2) 0.2106(3) 0.3933(2) 0.0283(10) Uani 1 1 d . . .
H113 H -0.0084 0.1940 0.4325 0.034 Uiso 1 1 calc R . .
C121 C 0.3036(3) 0.5832(4) 0.3551(3) 0.0483(15) Uani 1 1 d . . .
H12D H 0.3435 0.5828 0.3491 0.072 Uiso 1 1 calc R . .
H12E H 0.3083 0.5441 0.3871 0.072 Uiso 1 1 calc R . .
H12F H 0.2980 0.6357 0.3691 0.072 Uiso 1 1 calc R . .
C123 C -0.1314(3) 0.2496(4) 0.3628(3) 0.0450(14) Uani 1 1 d . . .
F22 F -0.1438(3) 0.3250(3) 0.3718(3) 0.1027(18) Uani 1 1 d . . .
C3 C -0.1054(3) 0.6303(3) 0.2912(3) 0.0300(11) Uani 1 1 d . . .
C4 C -0.0826(3) 0.6163(4) 0.3630(3) 0.0526(16) Uani 1 1 d . . .
H4A H -0.1209 0.6005 0.3689 0.079 Uiso 1 1 calc R . .
H4B H -0.0637 0.6652 0.3863 0.079 Uiso 1 1 calc R . .
H4C H -0.0490 0.5745 0.3787 0.079 Uiso 1 1 calc R . .
C5 C -0.1517(3) 0.7025(3) 0.2668(3) 0.0503(16) Uani 1 1 d . . .
H5A H -0.1613 0.7135 0.2232 0.075 Uiso 1 1 calc R . .
H5B H -0.1299 0.7484 0.2932 0.075 Uiso 1 1 calc R . .
H5C H -0.1932 0.6915 0.2685 0.075 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds 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
Sm1 O3 2.371(3) 2_645 ?
Sm1 O9 2.374(3) . ?
Sm1 O6 2.375(3) . ?
Sm1 O8 2.394(3) . ?
Sm1 O7 2.401(3) . ?
Sm1 O10 2.414(3) . ?
Sm1 O4 2.419(3) . ?
Sm1 O5 2.434(3) . ?
O4 N2 1.289(5) . ?
F13 C1G 1.304(7) . ?
O3 N1 1.289(5) . ?
O3 Sm1 2.371(3) 2_655 ?
F14 C1G 1.290(6) . ?
F15 C1G 1.296(7) . ?
C1G C78 1.542(7) . ?
C1H O1 1.429(6) . ?
C1H H1HA 0.9600 . ?
C1H H1HB 0.9600 . ?
C1H H1HC 0.9600 . ?
C1K C67 1.532(7) . ?
C1K H1KA 0.9600 . ?
C1K H1KB 0.9600 . ?
C1K H1KC 0.9600 . ?
O5 C57 1.239(5) . ?
O6 C103 1.239(5) . ?
F1 C71 1.308(5) . ?
O9 C56 1.236(5) . ?
O10 C58 1.249(5) . ?
C20 N2 1.338(6) . ?
C20 N1 1.342(6) . ?
C20 C42 1.460(6) . ?
O7 C64 1.266(5) . ?
F3 C71 1.332(6) . ?
O8 C78 1.247(6) . ?
N2 C67 1.507(6) . ?
F16 C104 1.348(6) . ?
F17 C104 1.339(6) . ?
F2 C71 1.350(6) . ?
F9 C102 1.329(6) . ?
F18 C104 1.318(6) . ?
O2 C90 1.355(6) . ?
O2 C122 1.426(6) . ?
O1 C66 1.363(6) . ?
C42 C90 1.401(6) . ?
C42 C95 1.401(6) . ?
F10 C119 1.326(7) . ?
F6 C85 1.341(6) . ?
C52 C66 1.385(7) . ?
C52 C90 1.397(7) . ?
C52 H52 0.9300 . ?
N1 C107 1.506(6) . ?
C56 C62 1.389(6) . ?
C56 C71 1.541(6) . ?
C57 C91 1.403(7) . ?
C57 C102 1.542(7) . ?
C58 C62 1.396(6) . ?
C58 C85 1.530(6) . ?
F7 C102 1.320(6) . ?
F8 C102 1.316(6) . ?
C62 H62 0.9300 . ?
F5 C85 1.322(6) . ?
C64 C98 1.380(7) . ?
C64 C104 1.535(7) . ?
C66 C70 1.395(7) . ?
C67 C139 1.529(6) . ?
C67 C107 1.558(7) . ?
C70 C95 1.379(7) . ?
C70 H70 0.9300 . ?
F4 C85 1.323(5) . ?
C78 C98 1.392(7) . ?
C91 C103 1.398(7) . ?
C91 H91 0.9300 . ?
C95 H95 0.9300 . ?
C98 H98 0.9300 . ?
F12 C119 1.315(7) . ?
C103 C119 1.540(7) . ?
C107 C118 1.513(7) . ?
C107 C108 1.523(7) . ?
C108 H10A 0.9600 . ?
C108 H10B 0.9600 . ?
C108 H10C 0.9600 . ?
F11 C119 1.309(7) . ?
C118 H11A 0.9600 . ?
C118 H11B 0.9600 . ?
C118 H11C 0.9600 . ?
C122 H12A 0.9600 . ?
C122 H12B 0.9600 . ?
C122 H12C 0.9600 . ?
C139 H13A 0.9600 . ?
C139 H13B 0.9600 . ?
C139 H13C 0.9600 . ?
Sm2 O16 2.365(3) . ?
Sm2 O17 2.384(3) . ?
Sm2 O20 2.393(3) . ?
Sm2 O14 2.400(3) . ?
Sm2 O18 2.406(3) . ?
Sm2 O13 2.415(3) 2_545 ?
Sm2 O15 2.417(3) . ?
Sm2 O19 2.429(3) . ?
C1D F29 1.281(6) . ?
C1D F28 1.313(6) . ?
C1D F30 1.342(6) . ?
C1D C50 1.540(6) . ?
F35 C106 1.296(7) . ?
C1I C83 1.528(7) . ?
C1I H1IA 0.9600 . ?
C1I H1IB 0.9600 . ?
C1I H1IC 0.9600 . ?
C1J C83 1.526(6) . ?
C1J H1JA 0.9600 . ?
C1J H1JB 0.9600 . ?
C1J H1JC 0.9600 . ?
O18 C50 1.251(5) . ?
O15 C47 1.232(6) . ?
F25 C39 1.314(6) . ?
F19 C109 1.325(6) . ?
O17 C69 1.245(5) . ?
O16 C81 1.257(5) . ?
O19 C76 1.255(5) . ?
N4 O14 1.289(5) . ?
N4 C40 1.340(6) . ?
N4 C83 1.496(6) . ?
F34 C106 1.327(6) . ?
O12 C88 1.362(6) . ?
O12 C110 1.432(6) . ?
O20 C86 1.240(5) . ?
F27 C39 1.329(6) . ?
F20 C109 1.320(6) . ?
F21 C109 1.359(6) . ?
C39 F26 1.349(6) . ?
C39 C69 1.542(6) . ?
C40 N3 1.363(6) . ?
C40 C53 1.446(6) . ?
O11 C77 1.363(6) . ?
O11 C121 1.428(6) . ?
F32 C92 1.328(6) . ?
C47 C96 1.414(7) . ?
C47 C92 1.528(7) . ?
F31 C92 1.329(6) . ?
C50 C79 1.394(6) . ?
C53 C73 1.393(6) . ?
C53 C88 1.409(6) . ?
F33 C92 1.328(6) . ?
C69 C79 1.396(6) . ?
F36 C106 1.312(6) . ?
C73 C80 1.369(7) . ?
C73 H73 0.9300 . ?
C76 C113 1.383(6) . ?
C76 C109 1.546(7) . ?
C77 C89 1.382(7) . ?
C77 C80 1.393(7) . ?
C79 H79 0.9300 . ?
C80 H80 0.9300 . ?
C81 C96 1.385(7) . ?
C81 C106 1.527(7) . ?
C83 C3 1.564(7) . ?
C86 C113 1.395(6) . ?
C86 C123 1.525(7) . ?
F23 C123 1.315(7) . ?
C88 C89 1.397(7) . ?
C89 H89 0.9300 . ?
C96 H96 0.9300 . ?
F24 C123 1.290(6) . ?
C110 H11D 0.9600 . ?
C110 H11E 0.9600 . ?
C110 H11F 0.9600 . ?
C113 H113 0.9300 . ?
C121 H12D 0.9600 . ?
C121 H12E 0.9600 . ?
C121 H12F 0.9600 . ?
C123 F22 1.320(8) . ?
O13 N3 1.289(5) . ?
O13 Sm2 2.415(3) 2 ?
N3 C3 1.498(6) . ?
C3 C5 1.510(7) . ?
C3 C4 1.534(7) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?

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 Sm1 O9 98.23(11) 2_645 . ?
O3 Sm1 O6 72.72(11) 2_645 . ?
O9 Sm1 O6 153.89(10) . . ?
O3 Sm1 O8 94.68(12) 2_645 . ?
O9 Sm1 O8 134.49(11) . . ?
O6 Sm1 O8 71.45(11) . . ?
O3 Sm1 O7 149.42(11) 2_645 . ?
O9 Sm1 O7 75.66(10) . . ?
O6 Sm1 O7 124.37(11) . . ?
O8 Sm1 O7 71.37(11) . . ?
O3 Sm1 O10 71.13(12) 2_645 . ?
O9 Sm1 O10 71.90(10) . . ?
O6 Sm1 O10 124.80(11) . . ?
O8 Sm1 O10 71.51(11) . . ?
O7 Sm1 O10 78.57(11) . . ?
O3 Sm1 O4 136.09(11) 2_645 . ?
O9 Sm1 O4 90.51(11) . . ?
O6 Sm1 O4 80.70(11) . . ?
O8 Sm1 O4 109.35(11) . . ?
O7 Sm1 O4 74.42(11) . . ?
O10 Sm1 O4 150.74(11) . . ?
O3 Sm1 O5 72.81(11) 2_645 . ?
O9 Sm1 O5 81.44(10) . . ?
O6 Sm1 O5 72.51(10) . . ?
O8 Sm1 O5 143.91(11) . . ?
O7 Sm1 O5 133.74(11) . . ?
O10 Sm1 O5 130.79(11) . . ?
O4 Sm1 O5 66.09(10) . . ?
N2 O4 Sm1 135.6(3) . . ?
N1 O3 Sm1 149.9(3) . 2_655 ?
F14 C1G F15 109.1(6) . . ?
F14 C1G F13 107.4(5) . . ?
F15 C1G F13 104.2(6) . . ?
F14 C1G C78 114.2(5) . . ?
F15 C1G C78 110.2(5) . . ?
F13 C1G C78 111.4(5) . . ?
O1 C1H H1HA 109.5 . . ?
O1 C1H H1HB 109.5 . . ?
H1HA C1H H1HB 109.5 . . ?
O1 C1H H1HC 109.5 . . ?
H1HA C1H H1HC 109.5 . . ?
H1HB C1H H1HC 109.5 . . ?
C67 C1K H1KA 109.5 . . ?
C67 C1K H1KB 109.5 . . ?
H1KA C1K H1KB 109.5 . . ?
C67 C1K H1KC 109.5 . . ?
H1KA C1K H1KC 109.5 . . ?
H1KB C1K H1KC 109.5 . . ?
C57 O5 Sm1 133.5(3) . . ?
C103 O6 Sm1 134.4(3) . . ?
C56 O9 Sm1 134.3(3) . . ?
C58 O10 Sm1 133.9(3) . . ?
N2 C20 N1 107.9(4) . . ?
N2 C20 C42 124.7(4) . . ?
N1 C20 C42 127.4(4) . . ?
C64 O7 Sm1 131.8(3) . . ?
C78 O8 Sm1 133.3(3) . . ?
O4 N2 C20 124.9(4) . . ?
O4 N2 C67 121.6(4) . . ?
C20 N2 C67 113.1(4) . . ?
C90 O2 C122 118.9(4) . . ?
C66 O1 C1H 118.3(4) . . ?
C90 C42 C95 119.0(4) . . ?
C90 C42 C20 117.9(4) . . ?
C95 C42 C20 123.1(4) . . ?
C66 C52 C90 119.1(5) . . ?
C66 C52 H52 120.4 . . ?
C90 C52 H52 120.4 . . ?
O3 N1 C20 125.4(4) . . ?
O3 N1 C107 120.4(4) . . ?
C20 N1 C107 113.9(4) . . ?
O9 C56 C62 128.6(4) . . ?
O9 C56 C71 115.0(4) . . ?
C62 C56 C71 116.2(4) . . ?
O5 C57 C91 127.7(5) . . ?
O5 C57 C102 114.3(4) . . ?
C91 C57 C102 118.0(4) . . ?
O10 C58 C62 127.3(4) . . ?
O10 C58 C85 114.2(4) . . ?
C62 C58 C85 118.5(4) . . ?
C56 C62 C58 121.6(4) . . ?
C56 C62 H62 119.2 . . ?
C58 C62 H62 119.2 . . ?
O7 C64 C98 128.5(4) . . ?
O7 C64 C104 113.4(4) . . ?
C98 C64 C104 118.1(4) . . ?
O1 C66 C52 123.6(5) . . ?
O1 C66 C70 115.1(5) . . ?
C52 C66 C70 121.2(4) . . ?
N2 C67 C139 108.6(4) . . ?
N2 C67 C1K 105.5(4) . . ?
C139 C67 C1K 110.1(4) . . ?
N2 C67 C107 100.9(4) . . ?
C139 C67 C107 115.4(4) . . ?
C1K C67 C107 115.1(4) . . ?
C95 C70 C66 119.3(5) . . ?
C95 C70 H70 120.4 . . ?
C66 C70 H70 120.4 . . ?
F1 C71 F3 108.5(4) . . ?
F1 C71 F2 107.4(4) . . ?
F3 C71 F2 106.5(4) . . ?
F1 C71 C56 112.7(4) . . ?
F3 C71 C56 113.4(4) . . ?
F2 C71 C56 108.0(4) . . ?
O8 C78 C98 127.7(4) . . ?
O8 C78 C1G 114.1(4) . . ?
C98 C78 C1G 118.2(4) . . ?
F5 C85 F4 108.3(4) . . ?
F5 C85 F6 106.8(4) . . ?
F4 C85 F6 106.3(4) . . ?
F5 C85 C58 110.2(4) . . ?
F4 C85 C58 111.7(4) . . ?
F6 C85 C58 113.4(4) . . ?
O2 C90 C52 124.3(4) . . ?
O2 C90 C42 115.2(4) . . ?
C52 C90 C42 120.4(4) . . ?
C103 C91 C57 121.9(5) . . ?
C103 C91 H91 119.0 . . ?
C57 C91 H91 119.0 . . ?
C70 C95 C42 120.8(5) . . ?
C70 C95 H95 119.6 . . ?
C42 C95 H95 119.6 . . ?
C64 C98 C78 121.1(4) . . ?
C64 C98 H98 119.4 . . ?
C78 C98 H98 119.4 . . ?
F8 C102 F7 108.8(5) . . ?
F8 C102 F9 107.2(5) . . ?
F7 C102 F9 106.5(5) . . ?
F8 C102 C57 110.3(4) . . ?
F7 C102 C57 113.2(4) . . ?
F9 C102 C57 110.5(4) . . ?
O6 C103 C91 128.0(5) . . ?
O6 C103 C119 114.1(4) . . ?
C91 C103 C119 117.9(4) . . ?
F18 C104 F17 107.4(4) . . ?
F18 C104 F16 106.4(4) . . ?
F17 C104 F16 107.3(4) . . ?
F18 C104 C64 112.5(4) . . ?
F17 C104 C64 113.1(4) . . ?
F16 C104 C64 109.8(4) . . ?
N1 C107 C118 108.6(4) . . ?
N1 C107 C108 106.4(4) . . ?
C118 C107 C108 111.0(4) . . ?
N1 C107 C67 100.8(4) . . ?
C118 C107 C67 115.3(4) . . ?
C108 C107 C67 113.7(4) . . ?
C107 C108 H10A 109.5 . . ?
C107 C108 H10B 109.5 . . ?
H10A C108 H10B 109.5 . . ?
C107 C108 H10C 109.5 . . ?
H10A C108 H10C 109.5 . . ?
H10B C108 H10C 109.5 . . ?
C107 C118 H11A 109.5 . . ?
C107 C118 H11B 109.5 . . ?
H11A C118 H11B 109.5 . . ?
C107 C118 H11C 109.5 . . ?
H11A C118 H11C 109.5 . . ?
H11B C118 H11C 109.5 . . ?
F11 C119 F12 110.9(6) . . ?
F11 C119 F10 105.5(4) . . ?
F12 C119 F10 104.7(6) . . ?
F11 C119 C103 111.5(5) . . ?
F12 C119 C103 111.7(4) . . ?
F10 C119 C103 112.3(5) . . ?
O2 C122 H12A 109.5 . . ?
O2 C122 H12B 109.5 . . ?
H12A C122 H12B 109.5 . . ?
O2 C122 H12C 109.5 . . ?
H12A C122 H12C 109.5 . . ?
H12B C122 H12C 109.5 . . ?
C67 C139 H13A 109.5 . . ?
C67 C139 H13B 109.5 . . ?
H13A C139 H13B 109.5 . . ?
C67 C139 H13C 109.5 . . ?
H13A C139 H13C 109.5 . . ?
H13B C139 H13C 109.5 . . ?
O16 Sm2 O17 155.46(10) . . ?
O16 Sm2 O20 71.62(11) . . ?
O17 Sm2 O20 132.74(10) . . ?
O16 Sm2 O14 72.99(11) . . ?
O17 Sm2 O14 98.04(11) . . ?
O20 Sm2 O14 95.86(11) . . ?
O16 Sm2 O18 123.32(10) . . ?
O17 Sm2 O18 71.94(10) . . ?
O20 Sm2 O18 70.77(11) . . ?
O14 Sm2 O18 70.45(10) . . ?
O16 Sm2 O13 81.48(11) . 2_545 ?
O17 Sm2 O13 91.19(11) . 2_545 ?
O20 Sm2 O13 108.00(11) . 2_545 ?
O14 Sm2 O13 137.29(10) . 2_545 ?
O18 Sm2 O13 150.62(10) . 2_545 ?
O16 Sm2 O15 72.34(11) . . ?
O17 Sm2 O15 83.18(10) . . ?
O20 Sm2 O15 143.89(10) . . ?
O14 Sm2 O15 71.34(11) . . ?
O18 Sm2 O15 130.22(10) . . ?
O13 Sm2 O15 68.52(10) 2_545 . ?
O16 Sm2 O19 125.60(10) . . ?
O17 Sm2 O19 73.63(10) . . ?
O20 Sm2 O19 71.18(10) . . ?
O14 Sm2 O19 148.51(10) . . ?
O18 Sm2 O19 78.13(10) . . ?
O13 Sm2 O19 74.01(10) 2_545 . ?
O15 Sm2 O19 135.10(10) . . ?
F29 C1D F28 110.5(5) . . ?
F29 C1D F30 105.8(5) . . ?
F28 C1D F30 104.2(4) . . ?
F29 C1D C50 113.3(4) . . ?
F28 C1D C50 113.4(4) . . ?
F30 C1D C50 109.0(4) . . ?
C83 C1I H1IA 109.5 . . ?
C83 C1I H1IB 109.5 . . ?
H1IA C1I H1IB 109.5 . . ?
C83 C1I H1IC 109.5 . . ?
H1IA C1I H1IC 109.5 . . ?
H1IB C1I H1IC 109.5 . . ?
C83 C1J H1JA 109.5 . . ?
C83 C1J H1JB 109.5 . . ?
H1JA C1J H1JB 109.5 . . ?
C83 C1J H1JC 109.5 . . ?
H1JA C1J H1JC 109.5 . . ?
H1JB C1J H1JC 109.5 . . ?
C50 O18 Sm2 130.9(3) . . ?
C47 O15 Sm2 134.0(3) . . ?
C69 O17 Sm2 132.0(3) . . ?
C81 O16 Sm2 134.1(3) . . ?
C76 O19 Sm2 130.7(3) . . ?
O14 N4 C40 124.3(4) . . ?
O14 N4 C83 121.1(4) . . ?
C40 N4 C83 114.4(4) . . ?
N4 O14 Sm2 144.7(3) . . ?
C88 O12 C110 118.3(4) . . ?
C86 O20 Sm2 132.0(3) . . ?
F25 C39 F27 108.3(4) . . ?
F25 C39 F26 107.0(4) . . ?
F27 C39 F26 107.6(4) . . ?
F25 C39 C69 112.7(4) . . ?
F27 C39 C69 109.4(4) . . ?
F26 C39 C69 111.5(4) . . ?
N4 C40 N3 106.6(4) . . ?
N4 C40 C53 128.3(4) . . ?
N3 C40 C53 125.0(4) . . ?
C77 O11 C121 118.0(4) . . ?
O15 C47 C96 128.0(5) . . ?
O15 C47 C92 114.5(5) . . ?
C96 C47 C92 117.5(4) . . ?
O18 C50 C79 127.6(4) . . ?
O18 C50 C1D 114.9(4) . . ?
C79 C50 C1D 117.6(4) . . ?
C73 C53 C88 118.8(4) . . ?
C73 C53 C40 122.8(4) . . ?
C88 C53 C40 118.4(4) . . ?
O17 C69 C79 127.9(4) . . ?
O17 C69 C39 115.2(4) . . ?
C79 C69 C39 116.7(4) . . ?
C80 C73 C53 121.0(4) . . ?
C80 C73 H73 119.5 . . ?
C53 C73 H73 119.5 . . ?
O19 C76 C113 128.7(4) . . ?
O19 C76 C109 114.2(4) . . ?
C113 C76 C109 117.1(4) . . ?
O11 C77 C89 124.0(5) . . ?
O11 C77 C80 115.2(5) . . ?
C89 C77 C80 120.8(4) . . ?
C50 C79 C69 121.8(4) . . ?
C50 C79 H79 119.1 . . ?
C69 C79 H79 119.1 . . ?
C73 C80 C77 119.9(5) . . ?
C73 C80 H80 120.0 . . ?
C77 C80 H80 120.0 . . ?
O16 C81 C96 128.3(5) . . ?
O16 C81 C106 112.0(5) . . ?
C96 C81 C106 119.7(4) . . ?
N4 C83 C1J 108.7(4) . . ?
N4 C83 C1I 106.9(4) . . ?
C1J C83 C1I 111.8(4) . . ?
N4 C83 C3 100.8(4) . . ?
C1J C83 C3 114.3(4) . . ?
C1I C83 C3 113.3(4) . . ?
O20 C86 C113 128.3(4) . . ?
O20 C86 C123 113.9(4) . . ?
C113 C86 C123 117.7(4) . . ?
O12 C88 C89 124.3(4) . . ?
O12 C88 C53 115.5(4) . . ?
C89 C88 C53 120.2(4) . . ?
C77 C89 C88 119.3(5) . . ?
C77 C89 H89 120.4 . . ?
C88 C89 H89 120.4 . . ?
F32 C92 F33 107.1(5) . . ?
F32 C92 F31 107.2(4) . . ?
F33 C92 F31 107.2(4) . . ?
F32 C92 C47 111.1(4) . . ?
F33 C92 C47 109.7(4) . . ?
F31 C92 C47 114.2(5) . . ?
C81 C96 C47 121.2(4) . . ?
C81 C96 H96 119.4 . . ?
C47 C96 H96 119.4 . . ?
F35 C106 F36 107.5(6) . . ?
F35 C106 F34 106.3(5) . . ?
F36 C106 F34 103.7(5) . . ?
F35 C106 C81 111.4(4) . . ?
F36 C106 C81 113.5(4) . . ?
F34 C106 C81 113.8(5) . . ?
F20 C109 F19 108.4(4) . . ?
F20 C109 F21 106.4(4) . . ?
F19 C109 F21 106.8(4) . . ?
F20 C109 C76 113.6(4) . . ?
F19 C109 C76 112.5(4) . . ?
F21 C109 C76 108.8(4) . . ?
O12 C110 H11D 109.5 . . ?
O12 C110 H11E 109.5 . . ?
H11D C110 H11E 109.5 . . ?
O12 C110 H11F 109.5 . . ?
H11D C110 H11F 109.5 . . ?
H11E C110 H11F 109.5 . . ?
C76 C113 C86 120.9(4) . . ?
C76 C113 H113 119.6 . . ?
C86 C113 H113 119.6 . . ?
O11 C121 H12D 109.5 . . ?
O11 C121 H12E 109.5 . . ?
H12D C121 H12E 109.5 . . ?
O11 C121 H12F 109.5 . . ?
H12D C121 H12F 109.5 . . ?
H12E C121 H12F 109.5 . . ?
F24 C123 F23 108.6(5) . . ?
F24 C123 F22 105.6(6) . . ?
F23 C123 F22 104.8(5) . . ?
F24 C123 C86 115.3(4) . . ?
F23 C123 C86 111.5(5) . . ?
F22 C123 C86 110.4(5) . . ?
N3 O13 Sm2 134.7(3) . 2 ?
O13 N3 C40 125.1(4) . . ?
O13 N3 C3 121.4(4) . . ?
C40 N3 C3 113.0(4) . . ?
N3 C3 C5 109.1(4) . . ?
N3 C3 C4 105.4(4) . . ?
C5 C3 C4 111.0(5) . . ?
N3 C3 C83 100.1(3) . . ?
C5 C3 C83 115.9(4) . . ?
C4 C3 C83 114.1(4) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 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
O3 Sm1 O4 N2 -175.3(3) 2_645 . . . ?
O9 Sm1 O4 N2 -72.8(4) . . . . ?
O6 Sm1 O4 N2 131.9(4) . . . . ?
O8 Sm1 O4 N2 65.4(4) . . . . ?
O7 Sm1 O4 N2 2.1(4) . . . . ?
O10 Sm1 O4 N2 -21.1(5) . . . . ?
O5 Sm1 O4 N2 -153.2(4) . . . . ?
O3 Sm1 O5 C57 76.7(4) 2_645 . . . ?
O9 Sm1 O5 C57 178.1(4) . . . . ?
O6 Sm1 O5 C57 -0.1(4) . . . . ?
O8 Sm1 O5 C57 2.9(5) . . . . ?
O7 Sm1 O5 C57 -121.3(4) . . . . ?
O10 Sm1 O5 C57 121.1(4) . . . . ?
O4 Sm1 O5 C57 -87.5(4) . . . . ?
O3 Sm1 O6 C103 -64.0(4) 2_645 . . . ?
O9 Sm1 O6 C103 8.9(6) . . . . ?
O8 Sm1 O6 C103 -165.2(5) . . . . ?
O7 Sm1 O6 C103 144.5(4) . . . . ?
O10 Sm1 O6 C103 -115.0(4) . . . . ?
O4 Sm1 O6 C103 80.7(5) . . . . ?
O5 Sm1 O6 C103 13.0(4) . . . . ?
O3 Sm1 O9 C56 -83.3(4) 2_645 . . . ?
O6 Sm1 O9 C56 -150.6(4) . . . . ?
O8 Sm1 O9 C56 21.6(5) . . . . ?
O7 Sm1 O9 C56 66.1(4) . . . . ?
O10 Sm1 O9 C56 -16.3(4) . . . . ?
O4 Sm1 O9 C56 139.9(4) . . . . ?
O5 Sm1 O9 C56 -154.4(4) . . . . ?
O3 Sm1 O10 C58 119.2(4) 2_645 . . . ?
O9 Sm1 O10 C58 13.4(4) . . . . ?
O6 Sm1 O10 C58 170.9(4) . . . . ?
O8 Sm1 O10 C58 -139.0(4) . . . . ?
O7 Sm1 O10 C58 -65.0(4) . . . . ?
O4 Sm1 O10 C58 -42.2(5) . . . . ?
O5 Sm1 O10 C58 74.2(4) . . . . ?
O3 Sm1 O7 C64 -42.2(5) 2_645 . . . ?
O9 Sm1 O7 C64 -124.0(4) . . . . ?
O6 Sm1 O7 C64 74.5(4) . . . . ?
O8 Sm1 O7 C64 24.1(4) . . . . ?
O10 Sm1 O7 C64 -50.0(4) . . . . ?
O4 Sm1 O7 C64 141.3(4) . . . . ?
O5 Sm1 O7 C64 173.2(3) . . . . ?
O3 Sm1 O8 C78 128.2(4) 2_645 . . . ?
O9 Sm1 O8 C78 21.8(5) . . . . ?
O6 Sm1 O8 C78 -161.8(4) . . . . ?
O7 Sm1 O8 C78 -24.0(4) . . . . ?
O10 Sm1 O8 C78 59.9(4) . . . . ?
O4 Sm1 O8 C78 -89.2(4) . . . . ?
O5 Sm1 O8 C78 -164.9(4) . . . . ?
Sm1 O4 N2 C20 -76.0(5) . . . . ?
Sm1 O4 N2 C67 111.8(4) . . . . ?
N1 C20 N2 O4 174.7(4) . . . . ?
C42 C20 N2 O4 -6.7(7) . . . . ?
N1 C20 N2 C67 -12.5(5) . . . . ?
C42 C20 N2 C67 166.0(4) . . . . ?
N2 C20 C42 C90 -57.0(6) . . . . ?
N1 C20 C42 C90 121.3(5) . . . . ?
N2 C20 C42 C95 122.2(5) . . . . ?
N1 C20 C42 C95 -59.5(7) . . . . ?
Sm1 O3 N1 C20 -72.2(7) 2_655 . . . ?
Sm1 O3 N1 C107 115.6(6) 2_655 . . . ?
N2 C20 N1 O3 -172.4(4) . . . . ?
C42 C20 N1 O3 9.1(7) . . . . ?
N2 C20 N1 C107 0.3(5) . . . . ?
C42 C20 N1 C107 -178.2(4) . . . . ?
Sm1 O9 C56 C62 17.1(7) . . . . ?
Sm1 O9 C56 C71 -157.2(3) . . . . ?
Sm1 O5 C57 C91 -7.5(8) . . . . ?
Sm1 O5 C57 C102 171.6(3) . . . . ?
Sm1 O10 C58 C62 -11.0(8) . . . . ?
Sm1 O10 C58 C85 167.1(3) . . . . ?
O9 C56 C62 C58 -5.3(8) . . . . ?
C71 C56 C62 C58 168.9(4) . . . . ?
O10 C58 C62 C56 2.4(8) . . . . ?
C85 C58 C62 C56 -175.7(4) . . . . ?
Sm1 O7 C64 C98 -17.7(7) . . . . ?
Sm1 O7 C64 C104 165.5(3) . . . . ?
C1H O1 C66 C52 -3.5(7) . . . . ?
C1H O1 C66 C70 175.9(5) . . . . ?
C90 C52 C66 O1 -179.0(4) . . . . ?
C90 C52 C66 C70 1.7(8) . . . . ?
O4 N2 C67 C139 -46.6(6) . . . . ?
C20 N2 C67 C139 140.3(4) . . . . ?
O4 N2 C67 C1K 71.4(5) . . . . ?
C20 N2 C67 C1K -101.6(4) . . . . ?
O4 N2 C67 C107 -168.4(4) . . . . ?
C20 N2 C67 C107 18.5(5) . . . . ?
O1 C66 C70 C95 178.8(4) . . . . ?
C52 C66 C70 C95 -1.8(8) . . . . ?
O9 C56 C71 F1 -34.3(6) . . . . ?
C62 C56 C71 F1 150.6(4) . . . . ?
O9 C56 C71 F3 -158.1(4) . . . . ?
C62 C56 C71 F3 26.9(6) . . . . ?
O9 C56 C71 F2 84.2(5) . . . . ?
C62 C56 C71 F2 -90.8(5) . . . . ?
Sm1 O8 C78 C98 16.6(8) . . . . ?
Sm1 O8 C78 C1G -163.5(3) . . . . ?
F14 C1G C78 O8 -163.7(5) . . . . ?
F15 C1G C78 O8 73.2(7) . . . . ?
F13 C1G C78 O8 -41.9(7) . . . . ?
F14 C1G C78 C98 16.2(8) . . . . ?
F15 C1G C78 C98 -106.8(6) . . . . ?
F13 C1G C78 C98 138.1(5) . . . . ?
O10 C58 C85 F5 -71.2(5) . . . . ?
C62 C58 C85 F5 107.1(5) . . . . ?
O10 C58 C85 F4 49.2(6) . . . . ?
C62 C58 C85 F4 -132.5(5) . . . . ?
O10 C58 C85 F6 169.2(4) . . . . ?
C62 C58 C85 F6 -12.5(6) . . . . ?
C122 O2 C90 C52 -5.5(7) . . . . ?
C122 O2 C90 C42 177.2(4) . . . . ?
C66 C52 C90 O2 -176.4(5) . . . . ?
C66 C52 C90 C42 0.8(7) . . . . ?
C95 C42 C90 O2 174.2(4) . . . . ?
C20 C42 C90 O2 -6.6(6) . . . . ?
C95 C42 C90 C52 -3.3(7) . . . . ?
C20 C42 C90 C52 176.0(4) . . . . ?
O5 C57 C91 C103 6.0(9) . . . . ?
C102 C57 C91 C103 -173.1(5) . . . . ?
C66 C70 C95 C42 -0.7(7) . . . . ?
C90 C42 C95 C70 3.2(7) . . . . ?
C20 C42 C95 C70 -176.0(4) . . . . ?
O7 C64 C98 C78 -4.4(8) . . . . ?
C104 C64 C98 C78 172.2(4) . . . . ?
O8 C78 C98 C64 5.3(8) . . . . ?
C1G C78 C98 C64 -174.6(5) . . . . ?
O5 C57 C102 F8 -67.5(6) . . . . ?
C91 C57 C102 F8 111.7(5) . . . . ?
O5 C57 C102 F7 170.3(4) . . . . ?
C91 C57 C102 F7 -10.5(7) . . . . ?
O5 C57 C102 F9 50.9(6) . . . . ?
C91 C57 C102 F9 -129.9(5) . . . . ?
Sm1 O6 C103 C91 -19.0(9) . . . . ?
Sm1 O6 C103 C119 160.6(4) . . . . ?
C57 C91 C103 O6 7.5(9) . . . . ?
C57 C91 C103 C119 -172.2(5) . . . . ?
O7 C64 C104 F18 -40.4(6) . . . . ?
C98 C64 C104 F18 142.5(5) . . . . ?
O7 C64 C104 F17 -162.3(4) . . . . ?
C98 C64 C104 F17 20.6(6) . . . . ?
O7 C64 C104 F16 77.9(5) . . . . ?
C98 C64 C104 F16 -99.2(5) . . . . ?
O3 N1 C107 C118 -54.5(6) . . . . ?
C20 N1 C107 C118 132.4(4) . . . . ?
O3 N1 C107 C108 65.1(5) . . . . ?
C20 N1 C107 C108 -108.0(5) . . . . ?
O3 N1 C107 C67 -176.0(4) . . . . ?
C20 N1 C107 C67 10.9(5) . . . . ?
N2 C67 C107 N1 -15.9(4) . . . . ?
C139 C67 C107 N1 -132.8(4) . . . . ?
C1K C67 C107 N1 97.1(5) . . . . ?
N2 C67 C107 C118 -132.7(4) . . . . ?
C139 C67 C107 C118 110.5(5) . . . . ?
C1K C67 C107 C118 -19.7(6) . . . . ?
N2 C67 C107 C108 97.5(5) . . . . ?
C139 C67 C107 C108 -19.4(6) . . . . ?
C1K C67 C107 C108 -149.5(5) . . . . ?
O6 C103 C119 F11 100.4(6) . . . . ?
C91 C103 C119 F11 -79.9(7) . . . . ?
O6 C103 C119 F12 -24.3(8) . . . . ?
C91 C103 C119 F12 155.4(6) . . . . ?
O6 C103 C119 F10 -141.5(5) . . . . ?
C91 C103 C119 F10 38.2(7) . . . . ?
O16 Sm2 O18 C50 173.5(4) . . . . ?
O17 Sm2 O18 C50 -27.9(4) . . . . ?
O20 Sm2 O18 C50 122.5(4) . . . . ?
O14 Sm2 O18 C50 -133.7(4) . . . . ?
O13 Sm2 O18 C50 29.8(5) 2_545 . . . ?
O15 Sm2 O18 C50 -91.9(4) . . . . ?
O19 Sm2 O18 C50 48.5(4) . . . . ?
O16 Sm2 O15 C47 7.7(4) . . . . ?
O17 Sm2 O15 C47 -170.6(4) . . . . ?
O20 Sm2 O15 C47 4.0(5) . . . . ?
O14 Sm2 O15 C47 -69.7(4) . . . . ?
O18 Sm2 O15 C47 -111.3(4) . . . . ?
O13 Sm2 O15 C47 95.4(4) 2_545 . . . ?
O19 Sm2 O15 C47 130.8(4) . . . . ?
O16 Sm2 O17 C69 159.1(4) . . . . ?
O20 Sm2 O17 C69 -12.9(4) . . . . ?
O14 Sm2 O17 C69 92.8(4) . . . . ?
O18 Sm2 O17 C69 26.5(4) . . . . ?
O13 Sm2 O17 C69 -129.0(4) 2_545 . . . ?
O15 Sm2 O17 C69 162.8(4) . . . . ?
O19 Sm2 O17 C69 -56.0(4) . . . . ?
O17 Sm2 O16 C81 -12.3(6) . . . . ?
O20 Sm2 O16 C81 161.5(4) . . . . ?
O14 Sm2 O16 C81 59.2(4) . . . . ?
O18 Sm2 O16 C81 110.9(4) . . . . ?
O13 Sm2 O16 C81 -86.2(4) 2_545 . . . ?
O15 Sm2 O16 C81 -16.1(4) . . . . ?
O19 Sm2 O16 C81 -149.5(4) . . . . ?
O16 Sm2 O19 C76 -75.5(4) . . . . ?
O17 Sm2 O19 C76 121.6(4) . . . . ?
O20 Sm2 O19 C76 -26.3(4) . . . . ?
O14 Sm2 O19 C76 43.2(5) . . . . ?
O18 Sm2 O19 C76 47.2(4) . . . . ?
O13 Sm2 O19 C76 -142.2(4) 2_545 . . . ?
O15 Sm2 O19 C76 -176.4(3) . . . . ?
C40 N4 O14 Sm2 74.0(6) . . . . ?
C83 N4 O14 Sm2 -112.4(5) . . . . ?
O16 Sm2 O14 N4 145.0(5) . . . . ?
O17 Sm2 O14 N4 -58.5(5) . . . . ?
O20 Sm2 O14 N4 76.2(5) . . . . ?
O18 Sm2 O14 N4 9.1(5) . . . . ?
O13 Sm2 O14 N4 -159.1(4) 2_545 . . . ?
O15 Sm2 O14 N4 -138.4(5) . . . . ?
O19 Sm2 O14 N4 13.2(6) . . . . ?
O16 Sm2 O20 C86 168.3(5) . . . . ?
O17 Sm2 O20 C86 -15.2(5) . . . . ?
O14 Sm2 O20 C86 -121.8(4) . . . . ?
O18 Sm2 O20 C86 -54.9(4) . . . . ?
O13 Sm2 O20 C86 94.1(4) 2_545 . . . ?
O15 Sm2 O20 C86 172.1(4) . . . . ?
O19 Sm2 O20 C86 28.7(4) . . . . ?
O14 N4 C40 N3 174.6(4) . . . . ?
C83 N4 C40 N3 0.6(5) . . . . ?
O14 N4 C40 C53 -5.9(7) . . . . ?
C83 N4 C40 C53 -179.9(4) . . . . ?
Sm2 O15 C47 C96 -0.5(8) . . . . ?
Sm2 O15 C47 C92 179.6(3) . . . . ?
Sm2 O18 C50 C79 23.7(7) . . . . ?
Sm2 O18 C50 C1D -155.4(3) . . . . ?
F29 C1D C50 O18 -2.0(7) . . . . ?
F28 C1D C50 O18 -129.1(5) . . . . ?
F30 C1D C50 O18 115.4(5) . . . . ?
F29 C1D C50 C79 178.8(5) . . . . ?
F28 C1D C50 C79 51.7(6) . . . . ?
F30 C1D C50 C79 -63.8(6) . . . . ?
N4 C40 C53 C73 55.6(7) . . . . ?
N3 C40 C53 C73 -125.0(5) . . . . ?
N4 C40 C53 C88 -125.0(5) . . . . ?
N3 C40 C53 C88 54.5(6) . . . . ?
Sm2 O17 C69 C79 -20.5(7) . . . . ?
Sm2 O17 C69 C39 154.7(3) . . . . ?
F25 C39 C69 O17 29.9(6) . . . . ?
F27 C39 C69 O17 -90.7(5) . . . . ?
F26 C39 C69 O17 150.3(4) . . . . ?
F25 C39 C69 C79 -154.3(4) . . . . ?
F27 C39 C69 C79 85.1(5) . . . . ?
F26 C39 C69 C79 -33.9(6) . . . . ?
C88 C53 C73 C80 -1.7(7) . . . . ?
C40 C53 C73 C80 177.7(4) . . . . ?
Sm2 O19 C76 C113 18.1(7) . . . . ?
Sm2 O19 C76 C109 -162.3(3) . . . . ?
C121 O11 C77 C89 -2.0(7) . . . . ?
C121 O11 C77 C80 179.8(5) . . . . ?
O18 C50 C79 C69 -1.3(8) . . . . ?
C1D C50 C79 C69 177.8(5) . . . . ?
O17 C69 C79 C50 -0.7(8) . . . . ?
C39 C69 C79 C50 -175.8(4) . . . . ?
C53 C73 C80 C77 -0.7(7) . . . . ?
O11 C77 C80 C73 -179.3(4) . . . . ?
C89 C77 C80 C73 2.5(8) . . . . ?
Sm2 O16 C81 C96 18.0(8) . . . . ?
Sm2 O16 C81 C106 -160.6(3) . . . . ?
O14 N4 C83 C1J 51.3(5) . . . . ?
C40 N4 C83 C1J -134.5(4) . . . . ?
O14 N4 C83 C1I -69.6(5) . . . . ?
C40 N4 C83 C1I 104.6(5) . . . . ?
O14 N4 C83 C3 171.8(4) . . . . ?
C40 N4 C83 C3 -14.1(5) . . . . ?
Sm2 O20 C86 C113 -22.6(8) . . . . ?
Sm2 O20 C86 C123 158.2(4) . . . . ?
C110 O12 C88 C89 6.9(7) . . . . ?
C110 O12 C88 C53 -175.7(4) . . . . ?
C73 C53 C88 O12 -175.1(4) . . . . ?
C40 C53 C88 O12 5.4(6) . . . . ?
C73 C53 C88 C89 2.3(7) . . . . ?
C40 C53 C88 C89 -177.1(4) . . . . ?
O11 C77 C89 C88 -179.9(5) . . . . ?
C80 C77 C89 C88 -1.9(8) . . . . ?
O12 C88 C89 C77 176.7(5) . . . . ?
C53 C88 C89 C77 -0.5(7) . . . . ?
O15 C47 C92 F32 -50.0(6) . . . . ?
C96 C47 C92 F32 130.0(5) . . . . ?
O15 C47 C92 F33 68.2(6) . . . . ?
C96 C47 C92 F33 -111.7(5) . . . . ?
O15 C47 C92 F31 -171.5(4) . . . . ?
C96 C47 C92 F31 8.6(7) . . . . ?
O16 C81 C96 C47 -3.4(8) . . . . ?
C106 C81 C96 C47 175.2(4) . . . . ?
O15 C47 C96 C81 -5.4(8) . . . . ?
C92 C47 C96 C81 174.5(4) . . . . ?
O16 C81 C106 F35 73.3(6) . . . . ?
C96 C81 C106 F35 -105.5(6) . . . . ?
O16 C81 C106 F36 -48.3(6) . . . . ?
C96 C81 C106 F36 133.0(5) . . . . ?
O16 C81 C106 F34 -166.5(4) . . . . ?
C96 C81 C106 F34 14.7(7) . . . . ?
O19 C76 C109 F20 163.3(4) . . . . ?
C113 C76 C109 F20 -17.1(7) . . . . ?
O19 C76 C109 F19 39.7(6) . . . . ?
C113 C76 C109 F19 -140.6(5) . . . . ?
O19 C76 C109 F21 -78.4(5) . . . . ?
C113 C76 C109 F21 101.2(5) . . . . ?
O19 C76 C113 C86 5.0(8) . . . . ?
C109 C76 C113 C86 -174.6(4) . . . . ?
O20 C86 C113 C76 -3.1(8) . . . . ?
C123 C86 C113 C76 176.1(5) . . . . ?
O20 C86 C123 F24 171.3(5) . . . . ?
C113 C86 C123 F24 -8.0(8) . . . . ?
O20 C86 C123 F23 46.9(7) . . . . ?
C113 C86 C123 F23 -132.4(5) . . . . ?
O20 C86 C123 F22 -69.2(7) . . . . ?
C113 C86 C123 F22 111.5(6) . . . . ?
Sm2 O13 N3 C40 74.4(5) 2 . . . ?
Sm2 O13 N3 C3 -114.9(4) 2 . . . ?
N4 C40 N3 O13 -173.9(4) . . . . ?
C53 C40 N3 O13 6.5(7) . . . . ?
N4 C40 N3 C3 14.7(5) . . . . ?
C53 C40 N3 C3 -164.9(4) . . . . ?
O13 N3 C3 C5 43.7(6) . . . . ?
C40 N3 C3 C5 -144.6(4) . . . . ?
O13 N3 C3 C4 -75.5(5) . . . . ?
C40 N3 C3 C4 96.2(5) . . . . ?
O13 N3 C3 C83 165.8(4) . . . . ?
C40 N3 C3 C83 -22.4(5) . . . . ?
N4 C83 C3 N3 19.8(4) . . . . ?
C1J C83 C3 N3 136.2(4) . . . . ?
C1I C83 C3 N3 -94.1(4) . . . . ?
N4 C83 C3 C5 137.0(4) . . . . ?
C1J C83 C3 C5 -106.7(5) . . . . ?
C1I C83 C3 C5 23.0(6) . . . . ?
N4 C83 C3 C4 -92.2(5) . . . . ?
C1J C83 C3 C4 24.1(6) . . . . ?
C1I C83 C3 C4 153.9(4) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.137
_refine_diff_density_min         -0.929
_refine_diff_density_rms         0.106
####################################################################### 
# 
# 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_Dy
_database_code_depnum_ccdc_archive 'CCDC 1009367'
_audit_update_record             
;
2014-06-20 deposited with the CCDC.
2015-01-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H24 Dy F18 N2 O10'
_chemical_formula_weight         1077.01

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'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   22.252(5)
_cell_length_b                   16.508(3)
_cell_length_c                   23.322(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 117.44(3)
_cell_angle_gamma                90.00
_cell_volume                     7603(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    113(2)
_cell_measurement_reflns_used    23770
_cell_measurement_theta_min      1.5778
_cell_measurement_theta_max      27.9060

_exptl_crystal_description       Prism
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.882
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4208
_exptl_absorpt_coefficient_mu    2.110
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.5739
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   CrystalClear

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      113(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            61405
_diffrn_reflns_av_R_equivalents  0.0796
_diffrn_reflns_av_sigmaI/netI    0.0693
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.58
_diffrn_reflns_theta_max         25.01
_reflns_number_total             13286
_reflns_number_gt                11289
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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 > 2sigma(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)+(0.0500P)²+60.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         13286
_refine_ls_number_parameters     1111
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.0755
_refine_ls_R_factor_gt           0.0659
_refine_ls_wR_factor_ref         0.1430
_refine_ls_wR_factor_gt          0.1376
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_restrained_S_all      1.086
_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
Dy1 Dy 0.009019(16) 0.63314(2) 0.738437(16) 0.01567(11) Uani 1 1 d . . .
Dy2 Dy 0.488360(16) 0.32325(2) 0.752564(14) 0.01319(10) Uani 1 1 d . . .
O1 O -0.0554(3) 1.0028(3) 0.7434(3) 0.0274(13) Uani 1 1 d . . .
O2 O -0.0046(3) 0.7369(3) 0.8022(2) 0.0244(12) Uani 1 1 d . . .
O3 O 0.0998(3) 0.8478(4) 0.8906(2) 0.0298(14) Uani 1 1 d . . .
O4 O 0.2462(3) 0.8880(4) 0.7903(3) 0.0366(15) Uani 1 1 d . . .
O5 O 0.0109(3) 0.5841(3) 0.8353(2) 0.0218(12) Uani 1 1 d . . .
O6 O 0.1204(3) 0.6454(3) 0.8185(2) 0.0238(12) Uani 1 1 d . . .
O7 O -0.1039(2) 0.5967(3) 0.7004(2) 0.0183(11) Uani 1 1 d . . .
O8 O -0.0254(3) 0.5699(3) 0.6371(2) 0.0234(12) Uani 1 1 d . . .
O9 O -0.0519(3) 0.7377(3) 0.6661(2) 0.0225(12) Uani 1 1 d . . .
O10 O 0.0765(3) 0.6820(3) 0.6935(2) 0.0242(12) Uani 1 1 d . . .
O11 O 0.4912(3) 0.7151(3) 0.8027(2) 0.0218(12) Uani 1 1 d . . .
O12 O 0.4399(3) 0.4540(3) 0.7276(2) 0.0212(12) Uani 1 1 d U . .
O13 O 0.5927(3) 0.6038(4) 0.8885(2) 0.0302(14) Uani 1 1 d . . .
O14 O 0.7483(3) 0.5636(4) 0.7990(3) 0.0369(15) Uani 1 1 d . . .
O15 O 0.5117(2) 0.3912(3) 0.8497(2) 0.0174(11) Uani 1 1 d . . .
O16 O 0.6019(2) 0.3613(3) 0.7996(2) 0.0184(11) Uani 1 1 d . . .
O17 O 0.4940(3) 0.3700(3) 0.6594(2) 0.0197(11) Uani 1 1 d . . .
O18 O 0.3802(3) 0.3088(3) 0.6669(2) 0.0219(12) Uani 1 1 d . . .
O19 O 0.4159(3) 0.2739(4) 0.7916(2) 0.0255(13) Uani 1 1 d . . .
O20 O 0.5493(2) 0.2233(3) 0.8318(2) 0.0185(11) Uani 1 1 d . . .
N1 N -0.0574(3) 0.9323(4) 0.7654(3) 0.0206(14) Uani 1 1 d . . .
N2 N -0.0337(3) 0.8063(4) 0.7918(3) 0.0177(13) Uani 1 1 d . . .
N3 N 0.4610(3) 0.6458(4) 0.7873(3) 0.0188(14) Uani 1 1 d . . .
N4 N 0.4375(3) 0.5233(4) 0.7521(3) 0.0164(13) Uani 1 1 d . . .
F32 F 0.6620(2) 0.1834(3) 0.9395(2) 0.0344(12) Uani 1 1 d . . .
F33 F 0.6040(3) 0.1468(4) 0.9870(2) 0.0523(17) Uani 1 1 d . . .
F20 F 0.7374(2) 0.2875(3) 0.8916(3) 0.0406(13) Uani 1 1 d . . .
F25 F 0.5221(3) 0.4726(4) 0.5840(2) 0.0529(17) Uani 1 1 d . . .
F31 F 0.6014(3) 0.0751(3) 0.9096(3) 0.0416(13) Uani 1 1 d . . .
F24 F 0.4947(3) 0.4238(5) 0.9492(2) 0.066(2) Uani 1 1 d . . .
F28 F 0.2500(3) 0.3839(5) 0.6048(5) 0.108(3) Uani 1 1 d U . .
F4 F 0.0826(3) 0.5327(4) 0.9988(2) 0.0562(18) Uani 1 1 d . . .
F5 F -0.0021(3) 0.6127(3) 0.9490(3) 0.0541(17) Uani 1 1 d . . .
F15 F -0.1381(3) 0.4945(4) 0.4844(2) 0.0487(15) Uani 1 1 d . . .
F27 F 0.4324(3) 0.4342(4) 0.4998(2) 0.0627(19) Uani 1 1 d . . .
F23 F 0.5828(4) 0.3543(4) 1.0023(3) 0.0625(19) Uani 1 1 d . . .
F19 F 0.7605(2) 0.4127(4) 0.9213(2) 0.0454(15) Uani 1 1 d . . .
F21 F 0.7296(2) 0.3783(3) 0.8229(2) 0.0347(12) Uani 1 1 d . . .
F22 F 0.5921(3) 0.4793(4) 0.9948(3) 0.0570(18) Uani 1 1 d . . .
F18 F -0.2273(2) 0.5780(3) 0.6896(2) 0.0349(12) Uani 1 1 d . . .
F16 F -0.2398(2) 0.6682(3) 0.6187(2) 0.0358(13) Uani 1 1 d . . .
F17 F -0.2684(2) 0.5456(3) 0.5896(2) 0.0372(13) Uani 1 1 d . . .
F6 F -0.0088(3) 0.4892(4) 0.9204(2) 0.0481(15) Uani 1 1 d . . .
F12 F -0.1670(2) 0.7909(3) 0.5678(2) 0.0372(12) Uani 1 1 d . . .
F11 F -0.1149(3) 0.8323(4) 0.5155(2) 0.0479(16) Uani 1 1 d . . .
F14 F -0.0326(3) 0.4742(4) 0.5387(2) 0.0528(17) Uani 1 1 d . . .
F10 F -0.1025(3) 0.8944(3) 0.6010(2) 0.0381(12) Uani 1 1 d . . .
F3 F 0.2582(3) 0.6792(4) 0.9396(4) 0.074(2) Uani 1 1 d . . .
F2 F 0.2469(3) 0.6177(6) 0.8539(3) 0.089(3) Uani 1 1 d U . .
F1 F 0.2584(3) 0.5522(4) 0.9353(3) 0.0544(16) Uani 1 1 d . . .
F34 F 0.3099(3) 0.2267(5) 0.8080(3) 0.073(2) Uani 1 1 d . . .
F7 F 0.1806(3) 0.7297(6) 0.6746(3) 0.082(3) Uani 1 1 d . . .
F36 F 0.3570(4) 0.3195(6) 0.8740(5) 0.102(3) Uani 1 1 d . . .
F9 F 0.1165(3) 0.7737(5) 0.5826(4) 0.084(2) Uani 1 1 d U . .
F8 F 0.1257(4) 0.6473(5) 0.6004(4) 0.093(3) Uani 1 1 d U . .
F35 F 0.3727(3) 0.2006(6) 0.9059(4) 0.099(3) Uani 1 1 d U . .
C35 C 0.5676(4) 0.5490(5) 0.7282(4) 0.0211(17) Uani 1 1 d . . .
C39 C 0.4867(4) 0.5798(4) 0.7724(3) 0.0171(15) Uani 1 1 d . . .
C49 C 0.4501(4) 0.3811(5) 0.6020(3) 0.0248(18) Uani 1 1 d . . .
C57 C 0.5658(4) 0.3995(5) 0.9004(3) 0.0198(16) Uani 1 1 d . . .
C60 C 0.7185(4) 0.3633(5) 0.8727(4) 0.0256(18) Uani 1 1 d . . .
C54 C 0.5422(4) 0.1990(5) 0.8799(3) 0.0187(16) Uani 1 1 d . . .
C32 C 0.6864(4) 0.5668(5) 0.7959(4) 0.0261(18) Uani 1 1 d . . .
C9 C -0.0103(4) 0.8746(5) 0.7788(4) 0.0202(16) Uani 1 1 d . . .
H35 H 0.5318 0.5345 0.6887 0.025 Uiso 1 1 calc R . .
C41 C 0.3979(4) 0.6287(5) 0.7931(4) 0.0226(17) Uani 1 1 d . . .
C59 C 0.6439(4) 0.3746(5) 0.8568(3) 0.0207(17) Uani 1 1 d . . .
F30 F 0.2522(3) 0.2596(4) 0.5909(3) 0.0637(19) Uani 1 1 d . . .
C45 C 0.3217(4) 0.5680(6) 0.6805(4) 0.033(2) Uani 1 1 d . . .
H45A H 0.3378 0.6122 0.6645 0.049 Uiso 1 1 calc R . .
H45B H 0.2787 0.5820 0.6779 0.049 Uiso 1 1 calc R . .
H45C H 0.3167 0.5207 0.6548 0.049 Uiso 1 1 calc R . .
C38 C 0.5547(4) 0.5724(5) 0.7793(3) 0.0172(15) Uani 1 1 d . . .
C58 C 0.6315(4) 0.3947(5) 0.9083(4) 0.0249(18) Uani 1 1 d . . .
H58 H 0.6678 0.4050 0.9486 0.030 Uiso 1 1 calc R . .
C36 C 0.6092(4) 0.5882(5) 0.8398(3) 0.0240(17) Uani 1 1 d . . .
C43 C 0.3471(4) 0.4848(5) 0.7796(4) 0.032(2) Uani 1 1 d . . .
H43A H 0.3339 0.4384 0.7516 0.049 Uiso 1 1 calc R . .
H43B H 0.3087 0.5045 0.7838 0.049 Uiso 1 1 calc R . .
H43C H 0.3824 0.4698 0.8213 0.049 Uiso 1 1 calc R . .
C50 C 0.4794(5) 0.4099(6) 0.5581(4) 0.040(3) Uani 1 1 d . . .
C34 C 0.6324(4) 0.5474(5) 0.7360(4) 0.0267(18) Uani 1 1 d . . .
H34 H 0.6405 0.5334 0.7015 0.032 Uiso 1 1 calc R . .
F26 F 0.5144(4) 0.3516(4) 0.5485(3) 0.067(2) Uani 1 1 d . . .
C33 C 0.6751(4) 0.5863(5) 0.8482(4) 0.0257(18) Uani 1 1 d . . .
H33 H 0.7113 0.5979 0.8883 0.031 Uiso 1 1 calc R . .
C55 C 0.6032(4) 0.1525(5) 0.9299(4) 0.0238(18) Uani 1 1 d . . .
C48 C 0.3807(5) 0.3686(5) 0.5751(4) 0.031(2) Uani 1 1 d . . .
H48 H 0.3533 0.3831 0.5323 0.038 Uiso 1 1 calc R . .
C47 C 0.3510(4) 0.3348(5) 0.6107(4) 0.0254(19) Uani 1 1 d . . .
C52 C 0.4269(4) 0.2433(5) 0.8443(4) 0.0248(18) Uani 1 1 d . . .
C53 C 0.4864(4) 0.2087(5) 0.8908(4) 0.0245(18) Uani 1 1 d . . .
H53 H 0.4889 0.1918 0.9299 0.029 Uiso 1 1 calc R . .
C44 C 0.3726(4) 0.5507(5) 0.7511(4) 0.0198(16) Uani 1 1 d . . .
C37 C 0.6463(5) 0.6253(6) 0.9506(4) 0.036(2) Uani 1 1 d . . .
H37A H 0.6677 0.6741 0.9470 0.055 Uiso 1 1 calc R . .
H37B H 0.6791 0.5823 0.9662 0.055 Uiso 1 1 calc R . .
H37C H 0.6281 0.6337 0.9803 0.055 Uiso 1 1 calc R . .
C40 C 0.4215(5) 0.6157(6) 0.8651(4) 0.037(2) Uani 1 1 d . . .
H40A H 0.4532 0.5716 0.8802 0.055 Uiso 1 1 calc R . .
H40B H 0.3833 0.6033 0.8721 0.055 Uiso 1 1 calc R . .
H40C H 0.4430 0.6641 0.8883 0.055 Uiso 1 1 calc R . .
C56 C 0.5576(4) 0.4160(5) 0.9615(3) 0.0254(18) Uani 1 1 d . . .
F29 F 0.2429(3) 0.3373(5) 0.5181(3) 0.087(3) Uani 1 1 d U . .
C31 C 0.8061(4) 0.5825(6) 0.8581(5) 0.044(2) Uani 1 1 d . . .
H31A H 0.8460 0.5794 0.8523 0.066 Uiso 1 1 calc R . .
H31B H 0.8097 0.5445 0.8907 0.066 Uiso 1 1 calc R . .
H31C H 0.8016 0.6363 0.8713 0.066 Uiso 1 1 calc R . .
C42 C 0.3511(5) 0.7008(5) 0.7689(5) 0.038(2) Uani 1 1 d . . .
H42A H 0.3724 0.7469 0.7957 0.056 Uiso 1 1 calc R . .
H42B H 0.3096 0.6889 0.7702 0.056 Uiso 1 1 calc R . .
H42C H 0.3417 0.7126 0.7252 0.056 Uiso 1 1 calc R . .
C46 C 0.2740(5) 0.3306(6) 0.5804(4) 0.037(2) Uani 1 1 d . . .
C3 C 0.1777(4) 0.8643(5) 0.8452(4) 0.0268(18) Uani 1 1 d . . .
H3 H 0.2152 0.8509 0.8838 0.032 Uiso 1 1 calc R . .
C2 C 0.1855(4) 0.8857(5) 0.7913(4) 0.0271(19) Uani 1 1 d . . .
C27 C 0.0575(4) 0.5765(5) 0.8916(3) 0.0230(17) Uani 1 1 d . . .
C17 C -0.0485(4) 0.7668(5) 0.6175(3) 0.0210(17) Uani 1 1 d . . .
C22 C -0.1499(4) 0.5778(4) 0.6456(3) 0.0180(16) Uani 1 1 d . . .
C8 C 0.0568(4) 0.8828(5) 0.7823(3) 0.0204(17) Uani 1 1 d . . .
C23 C -0.1444(4) 0.5531(5) 0.5915(3) 0.0228(17) Uani 1 1 d . . .
H23 H -0.1831 0.5380 0.5544 0.027 Uiso 1 1 calc R . .
F13 F -0.0704(4) 0.5933(4) 0.5015(3) 0.0591(18) Uani 1 1 d . . .
C24 C -0.0821(4) 0.5506(5) 0.5917(4) 0.0200(16) Uani 1 1 d . . .
C4 C 0.1295(4) 0.9071(5) 0.7333(4) 0.0277(19) Uani 1 1 d . . .
H4 H 0.1351 0.9224 0.6977 0.033 Uiso 1 1 calc R . .
C19 C 0.0636(4) 0.7189(5) 0.6423(4) 0.0249(18) Uani 1 1 d . . .
C15 C -0.0679(5) 0.8190(6) 0.8756(4) 0.039(2) Uani 1 1 d . . .
H15A H -0.0466 0.7680 0.8932 0.058 Uiso 1 1 calc R . .
H15B H -0.1047 0.8276 0.8856 0.058 Uiso 1 1 calc R . .
H15C H -0.0354 0.8619 0.8940 0.058 Uiso 1 1 calc R . .
C6 C 0.1136(4) 0.8633(5) 0.8406(3) 0.0218(17) Uani 1 1 d . . .
C26 C 0.0326(4) 0.5524(6) 0.9404(4) 0.030(2) Uani 1 1 d . . .
C25 C -0.0807(4) 0.5275(6) 0.5285(4) 0.031(2) Uani 1 1 d . . .
C16 C -0.1084(4) 0.8213(5) 0.5747(4) 0.0267(18) Uani 1 1 d . . .
C21 C -0.2217(4) 0.5917(5) 0.6367(4) 0.0249(18) Uani 1 1 d . . .
C28 C 0.1268(4) 0.5876(6) 0.9138(4) 0.034(2) Uani 1 1 d . . .
H28 H 0.1566 0.5743 0.9563 0.041 Uiso 1 1 calc R . .
C5 C 0.0659(4) 0.9053(5) 0.7296(4) 0.0245(18) Uani 1 1 d . . .
H5 H 0.0285 0.9194 0.6910 0.029 Uiso 1 1 calc R . .
C14 C -0.0949(4) 0.8182(5) 0.8024(4) 0.0230(17) Uani 1 1 d . . .
C29 C 0.1522(4) 0.6179(5) 0.8740(4) 0.0276(19) Uani 1 1 d . . .
C18 C 0.0040(4) 0.7592(5) 0.6012(4) 0.0253(18) Uani 1 1 d . . .
H18 H -0.0007 0.7811 0.5627 0.030 Uiso 1 1 calc R . .
C7 C 0.1548(5) 0.8247(6) 0.9515(4) 0.038(2) Uani 1 1 d . . .
H7A H 0.1766 0.7774 0.9457 0.057 Uiso 1 1 calc R . .
H7B H 0.1378 0.8129 0.9816 0.057 Uiso 1 1 calc R . .
H7C H 0.1870 0.8682 0.9679 0.057 Uiso 1 1 calc R . .
C11 C -0.1195(4) 0.9016(5) 0.7687(4) 0.0253(18) Uani 1 1 d . . .
C12 C -0.1370(5) 0.9650(6) 0.8072(5) 0.039(2) Uani 1 1 d . . .
H12A H -0.1734 0.9451 0.8146 0.058 Uiso 1 1 calc R . .
H12B H -0.1506 1.0146 0.7831 0.058 Uiso 1 1 calc R . .
H12C H -0.0979 0.9747 0.8479 0.058 Uiso 1 1 calc R . .
C10 C -0.1757(4) 0.8972(6) 0.6991(4) 0.039(2) Uani 1 1 d . . .
H10A H -0.1650 0.8560 0.6762 0.058 Uiso 1 1 calc R . .
H10B H -0.1796 0.9485 0.6783 0.058 Uiso 1 1 calc R . .
H10C H -0.2178 0.8843 0.6990 0.058 Uiso 1 1 calc R . .
C51 C 0.3666(4) 0.2461(7) 0.8585(4) 0.040(2) Uani 1 1 d . . .
C30 C 0.2301(5) 0.6184(7) 0.9003(4) 0.038(2) Uani 1 1 d . . .
C13 C -0.1439(4) 0.7489(5) 0.7735(5) 0.036(2) Uani 1 1 d . . .
H13A H -0.1548 0.7428 0.7289 0.054 Uiso 1 1 calc R . .
H13B H -0.1845 0.7599 0.7769 0.054 Uiso 1 1 calc R . .
H13C H -0.1236 0.6998 0.7964 0.054 Uiso 1 1 calc R . .
C1 C 0.3061(4) 0.8698(6) 0.8488(5) 0.042(2) Uani 1 1 d . . .
H1A H 0.3452 0.8770 0.8421 0.064 Uiso 1 1 calc R . .
H1B H 0.3042 0.8147 0.8611 0.064 Uiso 1 1 calc R . .
H1C H 0.3090 0.9055 0.8825 0.064 Uiso 1 1 calc R . .
C20 C 0.1221(5) 0.7184(6) 0.6246(4) 0.039(2) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds 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
Dy2 O18 2.326(5) . ?
Dy2 O16 2.329(5) . ?
Dy2 O19 2.334(5) . ?
Dy2 O15 2.361(5) . ?
Dy2 O17 2.363(5) . ?
Dy2 O12 2.363(5) . ?
Dy2 O11 2.366(5) 2_646 ?
Dy2 O20 2.381(5) . ?
O17 C49 1.255(9) . ?
O15 C57 1.247(9) . ?
N4 O12 1.289(8) . ?
N4 C39 1.347(9) . ?
N4 C44 1.503(9) . ?
F32 C55 1.324(9) . ?
O16 C59 1.247(8) . ?
O20 C54 1.267(8) . ?
F21 C60 1.316(9) . ?
O18 C47 1.242(9) . ?
O19 C52 1.245(9) . ?
N3 O11 1.291(8) . ?
N3 C39 1.348(9) . ?
N3 C41 1.499(9) . ?
F33 C55 1.326(9) . ?
C39 C38 1.452(10) . ?
F20 C60 1.328(10) . ?
F25 C50 1.345(10) . ?
F31 C55 1.356(10) . ?
O13 C36 1.370(9) . ?
O13 C37 1.433(9) . ?
C49 C48 1.389(12) . ?
C49 C50 1.521(11) . ?
F24 C56 1.300(9) . ?
C57 C58 1.390(10) . ?
C57 C56 1.542(10) . ?
C60 F19 1.360(9) . ?
C60 C59 1.537(10) . ?
O14 C32 1.348(9) . ?
O14 C31 1.420(11) . ?
F27 C50 1.339(11) . ?
F23 C56 1.328(10) . ?
C54 C53 1.385(10) . ?
C54 C55 1.529(10) . ?
C32 C33 1.391(11) . ?
C32 C34 1.397(11) . ?
F22 C56 1.318(10) . ?
C35 C34 1.368(11) . ?
C35 C38 1.401(10) . ?
C41 C42 1.509(11) . ?
C41 C40 1.525(11) . ?
C41 C44 1.558(11) . ?
C59 C58 1.391(10) . ?
F30 C46 1.335(11) . ?
C45 C44 1.536(11) . ?
C38 C36 1.398(10) . ?
C36 C33 1.388(11) . ?
C43 C44 1.516(10) . ?
C50 F26 1.320(12) . ?
C48 C47 1.393(12) . ?
C47 C46 1.524(12) . ?
C52 C53 1.390(11) . ?
C52 C51 1.524(11) . ?
F28 C46 1.291(11) . ?
F29 C46 1.293(10) . ?
Dy1 O6 2.325(5) . ?
Dy1 O7 2.325(5) . ?
Dy1 O10 2.335(5) . ?
Dy1 O1 2.340(5) 2_546 ?
Dy1 O9 2.358(5) . ?
Dy1 O8 2.366(5) . ?
Dy1 O2 2.378(5) . ?
Dy1 O5 2.382(5) . ?
F18 C21 1.313(9) . ?
O5 C27 1.249(9) . ?
O6 C29 1.239(9) . ?
O7 C22 1.253(9) . ?
F16 C21 1.334(10) . ?
F17 C21 1.347(10) . ?
F6 C26 1.327(10) . ?
C9 N2 1.334(9) . ?
C9 N1 1.344(10) . ?
C9 C8 1.462(10) . ?
F12 C16 1.336(10) . ?
N2 O2 1.284(8) . ?
N2 C14 1.505(9) . ?
F11 C16 1.332(9) . ?
O10 C19 1.251(9) . ?
O8 C24 1.259(9) . ?
O4 C2 1.363(9) . ?
O4 C1 1.432(11) . ?
O9 C17 1.264(9) . ?
F10 C16 1.332(10) . ?
C3 C6 1.380(11) . ?
C3 C2 1.391(11) . ?
C2 C4 1.397(12) . ?
F4 C26 1.342(9) . ?
F5 C26 1.331(10) . ?
O3 C6 1.361(9) . ?
O3 C7 1.436(10) . ?
F15 C25 1.333(11) . ?
C27 C28 1.394(11) . ?
C27 C26 1.528(11) . ?
C17 C18 1.391(11) . ?
C17 C16 1.535(11) . ?
C22 C23 1.385(10) . ?
C22 C21 1.532(10) . ?
C8 C5 1.387(10) . ?
C8 C6 1.402(10) . ?
C23 C24 1.384(10) . ?
F13 C25 1.327(10) . ?
C24 C25 1.537(11) . ?
C4 C5 1.376(11) . ?
C19 C18 1.396(11) . ?
C19 C20 1.535(11) . ?
C15 C14 1.525(11) . ?
F14 C25 1.318(9) . ?
C28 C29 1.385(12) . ?
C14 C13 1.509(11) . ?
C14 C11 1.555(12) . ?
C29 C30 1.550(12) . ?
F3 C30 1.308(11) . ?
F2 C30 1.297(10) . ?
O11 Dy2 2.366(5) 2_656 ?
F1 C30 1.336(11) . ?
F34 C51 1.309(11) . ?
F7 C20 1.302(11) . ?
F36 C51 1.310(13) . ?
F9 C20 1.303(10) . ?
F8 C20 1.320(12) . ?
F35 C51 1.290(10) . ?
C11 N1 1.508(9) . ?
C11 C10 1.528(11) . ?
C11 C12 1.539(11) . ?
N1 O1 1.280(8) . ?
O1 Dy1 2.340(5) 2_556 ?

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
O18 Dy2 O16 154.26(17) . . ?
O18 Dy2 O19 70.80(17) . . ?
O16 Dy2 O19 134.83(16) . . ?
O18 Dy2 O15 123.76(18) . . ?
O16 Dy2 O15 73.06(17) . . ?
O19 Dy2 O15 71.21(18) . . ?
O18 Dy2 O17 73.54(18) . . ?
O16 Dy2 O17 80.74(17) . . ?
O19 Dy2 O17 144.27(18) . . ?
O15 Dy2 O17 130.19(18) . . ?
O18 Dy2 O12 73.04(18) . . ?
O16 Dy2 O12 98.20(18) . . ?
O19 Dy2 O12 95.48(19) . . ?
O15 Dy2 O12 71.07(17) . . ?
O17 Dy2 O12 71.76(17) . . ?
O18 Dy2 O11 80.63(19) . 2_646 ?
O16 Dy2 O11 91.21(18) . 2_646 ?
O19 Dy2 O11 106.9(2) . 2_646 ?
O15 Dy2 O11 150.32(17) . 2_646 ?
O17 Dy2 O11 68.95(17) . 2_646 ?
O12 Dy2 O11 137.40(17) . 2_646 ?
O18 Dy2 O20 126.08(18) . . ?
O16 Dy2 O20 73.48(17) . . ?
O19 Dy2 O20 72.77(17) . . ?
O15 Dy2 O20 77.86(17) . . ?
O17 Dy2 O20 133.47(17) . . ?
O12 Dy2 O20 148.89(16) . . ?
O11 Dy2 O20 73.52(17) 2_646 . ?
C49 O17 Dy2 133.1(5) . . ?
C57 O15 Dy2 130.7(5) . . ?
O12 N4 C39 125.3(6) . . ?
O12 N4 C44 119.6(6) . . ?
C39 N4 C44 114.6(6) . . ?
C59 O16 Dy2 131.8(5) . . ?
C54 O20 Dy2 130.4(5) . . ?
C47 O18 Dy2 134.6(5) . . ?
N4 O12 Dy2 143.9(4) . . ?
C52 O19 Dy2 132.0(5) . . ?
O11 N3 C39 124.0(6) . . ?
O11 N3 C41 122.1(6) . . ?
C39 N3 C41 113.4(6) . . ?
N4 C39 N3 106.1(6) . . ?
N4 C39 C38 128.1(7) . . ?
N3 C39 C38 125.8(7) . . ?
C36 O13 C37 118.0(6) . . ?
O17 C49 C48 128.1(7) . . ?
O17 C49 C50 113.5(7) . . ?
C48 C49 C50 118.4(7) . . ?
O15 C57 C58 128.0(7) . . ?
O15 C57 C56 115.1(6) . . ?
C58 C57 C56 116.9(6) . . ?
F21 C60 F20 108.2(7) . . ?
F21 C60 F19 106.7(7) . . ?
F20 C60 F19 107.2(7) . . ?
F21 C60 C59 112.7(6) . . ?
F20 C60 C59 109.6(7) . . ?
F19 C60 C59 112.2(7) . . ?
C32 O14 C31 119.3(7) . . ?
O20 C54 C53 127.8(7) . . ?
O20 C54 C55 113.9(6) . . ?
C53 C54 C55 118.2(6) . . ?
O14 C32 C33 123.7(8) . . ?
O14 C32 C34 115.5(7) . . ?
C33 C32 C34 120.8(7) . . ?
C34 C35 C38 120.6(7) . . ?
N3 C41 C42 109.3(7) . . ?
N3 C41 C40 105.3(6) . . ?
C42 C41 C40 110.6(7) . . ?
N3 C41 C44 100.3(6) . . ?
C42 C41 C44 115.5(7) . . ?
C40 C41 C44 114.7(7) . . ?
O16 C59 C58 128.1(7) . . ?
O16 C59 C60 115.5(6) . . ?
C58 C59 C60 116.3(6) . . ?
C36 C38 C35 119.2(7) . . ?
C36 C38 C39 118.1(6) . . ?
C35 C38 C39 122.7(7) . . ?
C57 C58 C59 121.0(7) . . ?
O13 C36 C33 123.8(7) . . ?
O13 C36 C38 115.7(7) . . ?
C33 C36 C38 120.5(7) . . ?
F26 C50 F27 107.0(7) . . ?
F26 C50 F25 106.7(9) . . ?
F27 C50 F25 106.6(7) . . ?
F26 C50 C49 110.8(8) . . ?
F27 C50 C49 113.5(8) . . ?
F25 C50 C49 111.8(7) . . ?
C35 C34 C32 119.6(7) . . ?
C36 C33 C32 119.1(7) . . ?
F32 C55 F33 107.6(7) . . ?
F32 C55 F31 106.9(6) . . ?
F33 C55 F31 105.6(7) . . ?
F32 C55 C54 113.4(7) . . ?
F33 C55 C54 113.4(6) . . ?
F31 C55 C54 109.5(6) . . ?
C49 C48 C47 121.7(7) . . ?
O18 C47 C48 127.4(8) . . ?
O18 C47 C46 113.8(8) . . ?
C48 C47 C46 118.8(7) . . ?
O19 C52 C53 128.4(7) . . ?
O19 C52 C51 114.2(7) . . ?
C53 C52 C51 117.4(7) . . ?
C54 C53 C52 121.0(7) . . ?
N4 C44 C43 109.2(6) . . ?
N4 C44 C45 107.6(6) . . ?
C43 C44 C45 111.3(7) . . ?
N4 C44 C41 100.0(6) . . ?
C43 C44 C41 114.6(6) . . ?
C45 C44 C41 113.3(7) . . ?
F24 C56 F22 109.1(8) . . ?
F24 C56 F23 106.9(7) . . ?
F22 C56 F23 104.3(7) . . ?
F24 C56 C57 112.8(6) . . ?
F22 C56 C57 113.5(7) . . ?
F23 C56 C57 109.7(7) . . ?
F28 C46 F29 108.7(9) . . ?
F28 C46 F30 104.9(10) . . ?
F29 C46 F30 103.2(8) . . ?
F28 C46 C47 111.8(8) . . ?
F29 C46 C47 115.1(9) . . ?
F30 C46 C47 112.4(7) . . ?
O6 Dy1 O7 153.32(17) . . ?
O6 Dy1 O10 70.29(18) . . ?
O7 Dy1 O10 136.30(17) . . ?
O6 Dy1 O1 73.6(2) . 2_546 ?
O7 Dy1 O1 98.06(19) . 2_546 ?
O10 Dy1 O1 94.46(19) . 2_546 ?
O6 Dy1 O9 124.05(19) . . ?
O7 Dy1 O9 75.64(18) . . ?
O10 Dy1 O9 72.69(18) . . ?
O1 Dy1 O9 149.70(18) 2_546 . ?
O6 Dy1 O8 125.13(18) . . ?
O7 Dy1 O8 73.10(17) . . ?
O10 Dy1 O8 71.51(18) . . ?
O1 Dy1 O8 71.78(19) 2_546 . ?
O9 Dy1 O8 78.08(18) . . ?
O6 Dy1 O2 80.23(19) . . ?
O7 Dy1 O2 89.91(18) . . ?
O10 Dy1 O2 109.00(19) . . ?
O1 Dy1 O2 136.22(18) 2_546 . ?
O9 Dy1 O2 73.95(17) . . ?
O8 Dy1 O2 150.16(18) . . ?
O6 Dy1 O5 73.81(18) . . ?
O7 Dy1 O5 79.52(17) . . ?
O10 Dy1 O5 144.00(18) . . ?
O1 Dy1 O5 72.66(19) 2_546 . ?
O9 Dy1 O5 132.91(17) . . ?
O8 Dy1 O5 130.83(19) . . ?
O2 Dy1 O5 66.61(18) . . ?
C27 O5 Dy1 132.5(5) . . ?
C29 O6 Dy1 133.7(5) . . ?
C22 O7 Dy1 133.2(4) . . ?
N2 C9 N1 107.9(6) . . ?
N2 C9 C8 124.1(7) . . ?
N1 C9 C8 127.9(7) . . ?
O2 N2 C9 125.6(6) . . ?
O2 N2 C14 120.0(6) . . ?
C9 N2 C14 113.9(6) . . ?
C19 O10 Dy1 133.2(5) . . ?
C24 O8 Dy1 133.5(5) . . ?
C2 O4 C1 118.2(7) . . ?
C17 O9 Dy1 131.9(5) . . ?
N2 O2 Dy1 136.3(4) . . ?
C6 C3 C2 119.1(8) . . ?
O4 C2 C3 124.0(8) . . ?
O4 C2 C4 115.2(7) . . ?
C3 C2 C4 120.8(7) . . ?
C6 O3 C7 118.1(6) . . ?
O5 C27 C28 128.1(7) . . ?
O5 C27 C26 113.6(7) . . ?
C28 C27 C26 118.4(7) . . ?
O9 C17 C18 127.9(7) . . ?
O9 C17 C16 114.5(7) . . ?
C18 C17 C16 117.5(7) . . ?
O7 C22 C23 128.9(7) . . ?
O7 C22 C21 114.4(6) . . ?
C23 C22 C21 116.5(7) . . ?
C5 C8 C6 119.0(7) . . ?
C5 C8 C9 122.6(7) . . ?
C6 C8 C9 118.3(7) . . ?
C24 C23 C22 120.9(7) . . ?
O8 C24 C23 127.7(7) . . ?
O8 C24 C25 114.4(7) . . ?
C23 C24 C25 117.8(7) . . ?
C5 C4 C2 119.2(7) . . ?
O10 C19 C18 127.9(7) . . ?
O10 C19 C20 113.8(7) . . ?
C18 C19 C20 118.3(7) . . ?
O3 C6 C3 124.7(7) . . ?
O3 C6 C8 114.5(7) . . ?
C3 C6 C8 120.7(7) . . ?
F6 C26 F5 106.5(7) . . ?
F6 C26 F4 106.4(7) . . ?
F5 C26 F4 107.2(7) . . ?
F6 C26 C27 111.9(6) . . ?
F5 C26 C27 110.6(7) . . ?
F4 C26 C27 113.8(7) . . ?
F14 C25 F13 109.3(7) . . ?
F14 C25 F15 106.1(8) . . ?
F13 C25 F15 106.4(7) . . ?
F14 C25 C24 111.5(6) . . ?
F13 C25 C24 109.6(7) . . ?
F15 C25 C24 113.9(7) . . ?
F11 C16 F10 107.1(7) . . ?
F11 C16 F12 107.1(7) . . ?
F10 C16 F12 106.3(7) . . ?
F11 C16 C17 113.7(7) . . ?
F10 C16 C17 111.0(6) . . ?
F12 C16 C17 111.3(7) . . ?
F18 C21 F16 108.2(7) . . ?
F18 C21 F17 107.4(7) . . ?
F16 C21 F17 105.7(6) . . ?
F18 C21 C22 113.0(6) . . ?
F16 C21 C22 109.2(7) . . ?
F17 C21 C22 113.0(7) . . ?
C29 C28 C27 121.5(7) . . ?
C4 C5 C8 121.1(8) . . ?
N2 C14 C13 110.5(7) . . ?
N2 C14 C15 105.4(6) . . ?
C13 C14 C15 109.7(7) . . ?
N2 C14 C11 99.6(6) . . ?
C13 C14 C11 115.6(7) . . ?
C15 C14 C11 115.0(7) . . ?
O6 C29 C28 128.2(8) . . ?
O6 C29 C30 114.1(7) . . ?
C28 C29 C30 117.7(7) . . ?
C17 C18 C19 120.6(7) . . ?
N3 O11 Dy2 136.3(4) . 2_656 ?
N1 C11 C10 106.4(6) . . ?
N1 C11 C12 106.5(6) . . ?
C10 C11 C12 110.4(7) . . ?
N1 C11 C14 101.8(6) . . ?
C10 C11 C14 114.9(7) . . ?
C12 C11 C14 115.6(7) . . ?
F35 C51 F34 107.7(9) . . ?
F35 C51 F36 105.6(9) . . ?
F34 C51 F36 105.2(9) . . ?
F35 C51 C52 114.5(8) . . ?
F34 C51 C52 112.2(8) . . ?
F36 C51 C52 111.1(8) . . ?
F2 C30 F3 111.3(9) . . ?
F2 C30 F1 105.5(9) . . ?
F3 C30 F1 105.1(7) . . ?
F2 C30 C29 111.7(7) . . ?
F3 C30 C29 111.6(8) . . ?
F1 C30 C29 111.3(8) . . ?
F7 C20 F9 106.5(8) . . ?
F7 C20 F8 106.1(9) . . ?
F9 C20 F8 107.7(9) . . ?
F7 C20 C19 112.4(7) . . ?
F9 C20 C19 113.6(8) . . ?
F8 C20 C19 110.2(8) . . ?
O1 N1 C9 124.8(6) . . ?
O1 N1 C11 121.9(7) . . ?
C9 N1 C11 112.7(6) . . ?
N1 O1 Dy1 149.0(5) . 2_556 ?

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
O18 Dy2 O17 C49 6.0(7) . . . . ?
O16 Dy2 O17 C49 -173.0(7) . . . . ?
O19 Dy2 O17 C49 2.3(8) . . . . ?
O15 Dy2 O17 C49 -114.6(7) . . . . ?
O12 Dy2 O17 C49 -71.1(7) . . . . ?
O11 Dy2 O17 C49 92.1(7) 2_646 . . . ?
O20 Dy2 O17 C49 130.5(6) . . . . ?
O18 Dy2 O15 C57 175.3(6) . . . . ?
O16 Dy2 O15 C57 -26.4(6) . . . . ?
O19 Dy2 O15 C57 125.5(7) . . . . ?
O17 Dy2 O15 C57 -87.9(7) . . . . ?
O12 Dy2 O15 C57 -131.6(7) . . . . ?
O11 Dy2 O15 C57 34.2(8) 2_646 . . . ?
O20 Dy2 O15 C57 49.8(6) . . . . ?
O18 Dy2 O16 C59 160.8(6) . . . . ?
O19 Dy2 O16 C59 -13.1(8) . . . . ?
O15 Dy2 O16 C59 25.8(7) . . . . ?
O17 Dy2 O16 C59 163.0(7) . . . . ?
O12 Dy2 O16 C59 93.1(7) . . . . ?
O11 Dy2 O16 C59 -128.6(7) 2_646 . . . ?
O20 Dy2 O16 C59 -56.2(7) . . . . ?
O18 Dy2 O20 C54 -75.3(7) . . . . ?
O16 Dy2 O20 C54 123.5(6) . . . . ?
O19 Dy2 O20 C54 -26.0(6) . . . . ?
O15 Dy2 O20 C54 47.8(6) . . . . ?
O17 Dy2 O20 C54 -177.3(6) . . . . ?
O12 Dy2 O20 C54 45.3(8) . . . . ?
O11 Dy2 O20 C54 -140.1(7) 2_646 . . . ?
O16 Dy2 O18 C47 -12.0(10) . . . . ?
O19 Dy2 O18 C47 163.5(8) . . . . ?
O15 Dy2 O18 C47 113.5(7) . . . . ?
O17 Dy2 O18 C47 -14.2(7) . . . . ?
O12 Dy2 O18 C47 61.2(7) . . . . ?
O11 Dy2 O18 C47 -84.9(7) 2_646 . . . ?
O20 Dy2 O18 C47 -146.5(7) . . . . ?
C39 N4 O12 Dy2 74.9(10) . . . . ?
C44 N4 O12 Dy2 -113.7(7) . . . . ?
O18 Dy2 O12 N4 146.5(8) . . . . ?
O16 Dy2 O12 N4 -58.3(8) . . . . ?
O19 Dy2 O12 N4 78.5(8) . . . . ?
O15 Dy2 O12 N4 10.6(7) . . . . ?
O17 Dy2 O12 N4 -135.7(8) . . . . ?
O11 Dy2 O12 N4 -159.2(7) 2_646 . . . ?
O20 Dy2 O12 N4 13.2(10) . . . . ?
O18 Dy2 O19 C52 166.4(8) . . . . ?
O16 Dy2 O19 C52 -16.4(9) . . . . ?
O15 Dy2 O19 C52 -55.8(7) . . . . ?
O17 Dy2 O19 C52 170.2(7) . . . . ?
O12 Dy2 O19 C52 -123.7(8) . . . . ?
O11 Dy2 O19 C52 93.0(8) 2_646 . . . ?
O20 Dy2 O19 C52 26.9(7) . . . . ?
O12 N4 C39 N3 173.0(6) . . . . ?
C44 N4 C39 N3 1.3(8) . . . . ?
O12 N4 C39 C38 -8.7(11) . . . . ?
C44 N4 C39 C38 179.5(7) . . . . ?
O11 N3 C39 N4 -173.2(6) . . . . ?
C41 N3 C39 N4 14.8(8) . . . . ?
O11 N3 C39 C38 8.5(11) . . . . ?
C41 N3 C39 C38 -163.6(7) . . . . ?
Dy2 O17 C49 C48 0.4(13) . . . . ?
Dy2 O17 C49 C50 -177.9(5) . . . . ?
Dy2 O15 C57 C58 23.2(13) . . . . ?
Dy2 O15 C57 C56 -155.9(5) . . . . ?
Dy2 O20 C54 C53 18.1(12) . . . . ?
Dy2 O20 C54 C55 -163.1(5) . . . . ?
C31 O14 C32 C33 -1.3(13) . . . . ?
C31 O14 C32 C34 180.0(8) . . . . ?
O11 N3 C41 C42 42.6(9) . . . . ?
C39 N3 C41 C42 -145.1(7) . . . . ?
O11 N3 C41 C40 -76.3(8) . . . . ?
C39 N3 C41 C40 96.0(7) . . . . ?
O11 N3 C41 C44 164.4(6) . . . . ?
C39 N3 C41 C44 -23.4(8) . . . . ?
Dy2 O16 C59 C58 -21.7(13) . . . . ?
Dy2 O16 C59 C60 155.2(5) . . . . ?
F21 C60 C59 O16 29.7(11) . . . . ?
F20 C60 C59 O16 -90.9(8) . . . . ?
F19 C60 C59 O16 150.1(7) . . . . ?
F21 C60 C59 C58 -153.1(8) . . . . ?
F20 C60 C59 C58 86.4(9) . . . . ?
F19 C60 C59 C58 -32.6(11) . . . . ?
C34 C35 C38 C36 -4.7(12) . . . . ?
C34 C35 C38 C39 176.2(7) . . . . ?
N4 C39 C38 C36 -123.2(8) . . . . ?
N3 C39 C38 C36 54.8(10) . . . . ?
N4 C39 C38 C35 55.9(11) . . . . ?
N3 C39 C38 C35 -126.1(8) . . . . ?
O15 C57 C58 C59 -3.5(14) . . . . ?
C56 C57 C58 C59 175.6(8) . . . . ?
O16 C59 C58 C57 2.4(14) . . . . ?
C60 C59 C58 C57 -174.5(8) . . . . ?
C37 O13 C36 C33 4.8(12) . . . . ?
C37 O13 C36 C38 -176.3(7) . . . . ?
C35 C38 C36 O13 -174.6(7) . . . . ?
C39 C38 C36 O13 4.6(11) . . . . ?
C35 C38 C36 C33 4.4(12) . . . . ?
C39 C38 C36 C33 -176.5(7) . . . . ?
O17 C49 C50 F26 69.7(10) . . . . ?
C48 C49 C50 F26 -108.8(10) . . . . ?
O17 C49 C50 F27 -169.9(7) . . . . ?
C48 C49 C50 F27 11.6(12) . . . . ?
O17 C49 C50 F25 -49.2(11) . . . . ?
C48 C49 C50 F25 132.2(9) . . . . ?
C38 C35 C34 C32 1.9(12) . . . . ?
O14 C32 C34 C35 -180.0(8) . . . . ?
C33 C32 C34 C35 1.3(13) . . . . ?
O13 C36 C33 C32 177.6(8) . . . . ?
C38 C36 C33 C32 -1.2(13) . . . . ?
O14 C32 C33 C36 179.8(8) . . . . ?
C34 C32 C33 C36 -1.6(13) . . . . ?
O20 C54 C55 F32 39.3(10) . . . . ?
C53 C54 C55 F32 -141.8(7) . . . . ?
O20 C54 C55 F33 162.4(7) . . . . ?
C53 C54 C55 F33 -18.6(11) . . . . ?
O20 C54 C55 F31 -79.9(8) . . . . ?
C53 C54 C55 F31 99.0(8) . . . . ?
O17 C49 C48 C47 -4.7(14) . . . . ?
C50 C49 C48 C47 173.6(8) . . . . ?
Dy2 O18 C47 C48 16.3(13) . . . . ?
Dy2 O18 C47 C46 -161.3(5) . . . . ?
C49 C48 C47 O18 -3.6(14) . . . . ?
C49 C48 C47 C46 173.9(8) . . . . ?
Dy2 O19 C52 C53 -19.4(14) . . . . ?
Dy2 O19 C52 C51 159.9(6) . . . . ?
O20 C54 C53 C52 5.2(14) . . . . ?
C55 C54 C53 C52 -173.6(8) . . . . ?
O19 C52 C53 C54 -5.1(15) . . . . ?
C51 C52 C53 C54 175.7(8) . . . . ?
O12 N4 C44 C43 52.0(8) . . . . ?
C39 N4 C44 C43 -135.7(7) . . . . ?
O12 N4 C44 C45 -68.9(8) . . . . ?
C39 N4 C44 C45 103.4(7) . . . . ?
O12 N4 C44 C41 172.6(6) . . . . ?
C39 N4 C44 C41 -15.1(7) . . . . ?
N3 C41 C44 N4 20.7(7) . . . . ?
C42 C41 C44 N4 137.9(7) . . . . ?
C40 C41 C44 N4 -91.6(7) . . . . ?
N3 C41 C44 C43 137.3(7) . . . . ?
C42 C41 C44 C43 -105.5(8) . . . . ?
C40 C41 C44 C43 25.0(10) . . . . ?
N3 C41 C44 C45 -93.6(7) . . . . ?
C42 C41 C44 C45 23.7(9) . . . . ?
C40 C41 C44 C45 154.1(7) . . . . ?
O15 C57 C56 F24 -4.2(11) . . . . ?
C58 C57 C56 F24 176.6(8) . . . . ?
O15 C57 C56 F22 -129.0(8) . . . . ?
C58 C57 C56 F22 51.8(11) . . . . ?
O15 C57 C56 F23 114.7(8) . . . . ?
C58 C57 C56 F23 -64.5(10) . . . . ?
O18 C47 C46 F28 72.3(11) . . . . ?
C48 C47 C46 F28 -105.5(10) . . . . ?
O18 C47 C46 F29 -163.1(8) . . . . ?
C48 C47 C46 F29 19.1(12) . . . . ?
O18 C47 C46 F30 -45.3(11) . . . . ?
C48 C47 C46 F30 136.9(9) . . . . ?
O6 Dy1 O5 C27 -0.8(7) . . . . ?
O7 Dy1 O5 C27 178.5(7) . . . . ?
O10 Dy1 O5 C27 3.5(9) . . . . ?
O1 Dy1 O5 C27 76.6(7) 2_546 . . . ?
O9 Dy1 O5 C27 -122.6(7) . . . . ?
O8 Dy1 O5 C27 121.9(7) . . . . ?
O2 Dy1 O5 C27 -87.0(7) . . . . ?
O7 Dy1 O6 C29 12.6(10) . . . . ?
O10 Dy1 O6 C29 -163.3(8) . . . . ?
O1 Dy1 O6 C29 -62.3(8) 2_546 . . . ?
O9 Dy1 O6 C29 145.2(7) . . . . ?
O8 Dy1 O6 C29 -114.9(7) . . . . ?
O2 Dy1 O6 C29 82.3(8) . . . . ?
O5 Dy1 O6 C29 14.0(7) . . . . ?
O6 Dy1 O7 C22 -154.8(6) . . . . ?
O10 Dy1 O7 C22 19.6(8) . . . . ?
O1 Dy1 O7 C22 -85.6(6) 2_546 . . . ?
O9 Dy1 O7 C22 64.2(6) . . . . ?
O8 Dy1 O7 C22 -17.5(6) . . . . ?
O2 Dy1 O7 C22 137.6(6) . . . . ?
O5 Dy1 O7 C22 -156.2(7) . . . . ?
N1 C9 N2 O2 174.8(6) . . . . ?
C8 C9 N2 O2 -7.9(12) . . . . ?
N1 C9 N2 C14 -13.0(9) . . . . ?
C8 C9 N2 C14 164.3(7) . . . . ?
O6 Dy1 O10 C19 -160.5(8) . . . . ?
O7 Dy1 O10 C19 22.2(8) . . . . ?
O1 Dy1 O10 C19 128.7(7) 2_546 . . . ?
O9 Dy1 O10 C19 -23.2(7) . . . . ?
O8 Dy1 O10 C19 59.7(7) . . . . ?
O2 Dy1 O10 C19 -88.8(7) . . . . ?
O5 Dy1 O10 C19 -164.9(6) . . . . ?
O6 Dy1 O8 C24 171.4(6) . . . . ?
O7 Dy1 O8 C24 13.3(6) . . . . ?
O10 Dy1 O8 C24 -140.7(7) . . . . ?
O1 Dy1 O8 C24 118.0(7) 2_546 . . . ?
O9 Dy1 O8 C24 -65.2(7) . . . . ?
O2 Dy1 O8 C24 -44.6(8) . . . . ?
O5 Dy1 O8 C24 72.3(7) . . . . ?
O6 Dy1 O9 C17 74.2(7) . . . . ?
O7 Dy1 O9 C17 -125.8(7) . . . . ?
O10 Dy1 O9 C17 23.7(6) . . . . ?
O1 Dy1 O9 C17 -44.5(8) 2_546 . . . ?
O8 Dy1 O9 C17 -50.4(6) . . . . ?
O2 Dy1 O9 C17 140.1(7) . . . . ?
O5 Dy1 O9 C17 173.9(6) . . . . ?
C9 N2 O2 Dy1 -76.5(9) . . . . ?
C14 N2 O2 Dy1 111.6(7) . . . . ?
O6 Dy1 O2 N2 131.9(7) . . . . ?
O7 Dy1 O2 N2 -73.0(7) . . . . ?
O10 Dy1 O2 N2 66.8(7) . . . . ?
O1 Dy1 O2 N2 -174.6(6) 2_546 . . . ?
O9 Dy1 O2 N2 2.1(6) . . . . ?
O8 Dy1 O2 N2 -18.9(9) . . . . ?
O5 Dy1 O2 N2 -151.6(7) . . . . ?
C1 O4 C2 C3 -2.2(13) . . . . ?
C1 O4 C2 C4 177.6(8) . . . . ?
C6 C3 C2 O4 -179.3(8) . . . . ?
C6 C3 C2 C4 0.9(13) . . . . ?
Dy1 O5 C27 C28 -7.6(13) . . . . ?
Dy1 O5 C27 C26 172.2(5) . . . . ?
Dy1 O9 C17 C18 -17.6(12) . . . . ?
Dy1 O9 C17 C16 166.6(5) . . . . ?
Dy1 O7 C22 C23 17.7(12) . . . . ?
Dy1 O7 C22 C21 -156.3(5) . . . . ?
N2 C9 C8 C5 120.9(9) . . . . ?
N1 C9 C8 C5 -62.3(12) . . . . ?
N2 C9 C8 C6 -55.9(11) . . . . ?
N1 C9 C8 C6 120.8(9) . . . . ?
O7 C22 C23 C24 -3.6(13) . . . . ?
C21 C22 C23 C24 170.3(7) . . . . ?
Dy1 O8 C24 C23 -8.5(12) . . . . ?
Dy1 O8 C24 C25 167.0(5) . . . . ?
C22 C23 C24 O8 -1.0(13) . . . . ?
C22 C23 C24 C25 -176.4(7) . . . . ?
O4 C2 C4 C5 178.9(8) . . . . ?
C3 C2 C4 C5 -1.3(13) . . . . ?
Dy1 O10 C19 C18 16.1(13) . . . . ?
Dy1 O10 C19 C20 -164.3(6) . . . . ?
C7 O3 C6 C3 -5.2(12) . . . . ?
C7 O3 C6 C8 177.9(7) . . . . ?
C2 C3 C6 O3 -176.1(8) . . . . ?
C2 C3 C6 C8 0.5(13) . . . . ?
C5 C8 C6 O3 175.4(7) . . . . ?
C9 C8 C6 O3 -7.7(11) . . . . ?
C5 C8 C6 C3 -1.6(12) . . . . ?
C9 C8 C6 C3 175.3(8) . . . . ?
O5 C27 C26 F6 50.1(10) . . . . ?
C28 C27 C26 F6 -130.1(9) . . . . ?
O5 C27 C26 F5 -68.5(9) . . . . ?
C28 C27 C26 F5 111.3(9) . . . . ?
O5 C27 C26 F4 170.7(7) . . . . ?
C28 C27 C26 F4 -9.5(12) . . . . ?
O8 C24 C25 F14 49.5(10) . . . . ?
C23 C24 C25 F14 -134.5(8) . . . . ?
O8 C24 C25 F13 -71.6(9) . . . . ?
C23 C24 C25 F13 104.4(9) . . . . ?
O8 C24 C25 F15 169.5(7) . . . . ?
C23 C24 C25 F15 -14.5(11) . . . . ?
O9 C17 C16 F11 -161.6(7) . . . . ?
C18 C17 C16 F11 22.2(11) . . . . ?
O9 C17 C16 F10 77.6(9) . . . . ?
C18 C17 C16 F10 -98.7(8) . . . . ?
O9 C17 C16 F12 -40.6(9) . . . . ?
C18 C17 C16 F12 143.1(7) . . . . ?
O7 C22 C21 F18 -34.8(10) . . . . ?
C23 C22 C21 F18 150.5(7) . . . . ?
O7 C22 C21 F16 85.7(8) . . . . ?
C23 C22 C21 F16 -89.0(8) . . . . ?
O7 C22 C21 F17 -156.9(6) . . . . ?
C23 C22 C21 F17 28.3(10) . . . . ?
O5 C27 C28 C29 6.9(15) . . . . ?
C26 C27 C28 C29 -172.9(8) . . . . ?
C2 C4 C5 C8 0.1(13) . . . . ?
C6 C8 C5 C4 1.3(12) . . . . ?
C9 C8 C5 C4 -175.5(8) . . . . ?
O2 N2 C14 C13 -45.3(9) . . . . ?
C9 N2 C14 C13 142.0(7) . . . . ?
O2 N2 C14 C15 73.2(8) . . . . ?
C9 N2 C14 C15 -99.5(8) . . . . ?
O2 N2 C14 C11 -167.3(6) . . . . ?
C9 N2 C14 C11 19.9(8) . . . . ?
Dy1 O6 C29 C28 -19.8(14) . . . . ?
Dy1 O6 C29 C30 160.1(6) . . . . ?
C27 C28 C29 O6 7.1(16) . . . . ?
C27 C28 C29 C30 -172.8(9) . . . . ?
O9 C17 C18 C19 -3.6(13) . . . . ?
C16 C17 C18 C19 172.1(7) . . . . ?
O10 C19 C18 C17 4.7(14) . . . . ?
C20 C19 C18 C17 -175.0(8) . . . . ?
C39 N3 O11 Dy2 75.3(9) . . . 2_656 ?
C41 N3 O11 Dy2 -113.3(7) . . . 2_656 ?
N2 C14 C11 N1 -17.6(7) . . . . ?
C13 C14 C11 N1 -136.0(7) . . . . ?
C15 C14 C11 N1 94.5(7) . . . . ?
N2 C14 C11 C10 96.9(7) . . . . ?
C13 C14 C11 C10 -21.5(10) . . . . ?
C15 C14 C11 C10 -151.0(7) . . . . ?
N2 C14 C11 C12 -132.6(7) . . . . ?
C13 C14 C11 C12 109.0(8) . . . . ?
C15 C14 C11 C12 -20.5(10) . . . . ?
O19 C52 C51 F35 166.5(9) . . . . ?
C53 C52 C51 F35 -14.1(14) . . . . ?
O19 C52 C51 F34 43.4(12) . . . . ?
C53 C52 C51 F34 -137.3(9) . . . . ?
O19 C52 C51 F36 -74.1(11) . . . . ?
C53 C52 C51 F36 105.3(10) . . . . ?
O6 C29 C30 F2 -24.5(13) . . . . ?
C28 C29 C30 F2 155.4(9) . . . . ?
O6 C29 C30 F3 100.7(9) . . . . ?
C28 C29 C30 F3 -79.3(11) . . . . ?
O6 C29 C30 F1 -142.2(8) . . . . ?
C28 C29 C30 F1 37.8(12) . . . . ?
O10 C19 C20 F7 -41.3(12) . . . . ?
C18 C19 C20 F7 138.4(9) . . . . ?
O10 C19 C20 F9 -162.2(8) . . . . ?
C18 C19 C20 F9 17.5(13) . . . . ?
O10 C19 C20 F8 76.8(10) . . . . ?
C18 C19 C20 F8 -103.5(10) . . . . ?
N2 C9 N1 O1 -171.3(6) . . . . ?
C8 C9 N1 O1 11.5(12) . . . . ?
N2 C9 N1 C11 -0.6(8) . . . . ?
C8 C9 N1 C11 -177.8(7) . . . . ?
C10 C11 N1 O1 63.0(9) . . . . ?
C12 C11 N1 O1 -54.8(9) . . . . ?
C14 C11 N1 O1 -176.4(6) . . . . ?
C10 C11 N1 C9 -107.9(8) . . . . ?
C12 C11 N1 C9 134.2(7) . . . . ?
C14 C11 N1 C9 12.7(8) . . . . ?
C9 N1 O1 Dy1 -75.0(12) . . . 2_556 ?
C11 N1 O1 Dy1 115.2(9) . . . 2_556 ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         6.600
_refine_diff_density_min         -3.250
_refine_diff_density_rms         0.171
####################################################################### 
# 
# 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_Eu
_database_code_depnum_ccdc_archive 'CCDC 1009368'
_audit_update_record             
;
2014-06-20 deposited with the CCDC.
2015-01-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H24 Eu F18 N2 O10'
_chemical_formula_weight         1066.47

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'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   22.204(4)
_cell_length_b                   16.575(3)
_cell_length_c                   23.444(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 117.00(3)
_cell_angle_gamma                90.00
_cell_volume                     7688(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    113(2)
_cell_measurement_reflns_used    22738
_cell_measurement_theta_min      2.1126
_cell_measurement_theta_max      27.8904

_exptl_crystal_description       Prism
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.11
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.843
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4184
_exptl_absorpt_coefficient_mu    1.774
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.8206
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   CrystalClear

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      113(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            62273
_diffrn_reflns_av_R_equivalents  0.0513
_diffrn_reflns_av_sigmaI/netI    0.0388
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.11
_diffrn_reflns_theta_max         25.01
_reflns_number_total             13559
_reflns_number_gt                11984
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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 > 2sigma(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)+(0.0700P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         13559
_refine_ls_number_parameters     1111
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0422
_refine_ls_R_factor_gt           0.0354
_refine_ls_wR_factor_ref         0.1015
_refine_ls_wR_factor_gt          0.0960
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_restrained_S_all      1.009
_refine_ls_shift/su_max          0.002
_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 0.488174(8) 0.323733(10) 0.752264(8) 0.01545(7) Uani 1 1 d . . .
Eu2 Eu 0.008210(8) 0.631366(10) 0.737605(8) 0.01675(7) Uani 1 1 d . . .
F1 F 0.73177(11) 0.38072(15) 0.82575(11) 0.0352(6) Uani 1 1 d . . .
F2 F 0.73889(12) 0.28989(15) 0.89410(13) 0.0455(7) Uani 1 1 d . . .
F3 F 0.76105(12) 0.41456(17) 0.92302(12) 0.0470(7) Uani 1 1 d . . .
F4 F 0.59093(17) 0.48161(18) 0.99418(14) 0.0638(9) Uani 1 1 d . . .
F5 F 0.58104(19) 0.35703(19) 1.00211(14) 0.0682(10) Uani 1 1 d . . .
F6 F 0.49357(13) 0.4261(2) 0.94839(13) 0.0756(11) Uani 1 1 d . . .
F7 F 0.66297(11) 0.18511(14) 0.94079(11) 0.0368(6) Uani 1 1 d . . .
F8 F 0.60329(13) 0.07666(13) 0.91134(14) 0.0452(7) Uani 1 1 d . . .
F9 F 0.60509(14) 0.1485(2) 0.98830(12) 0.0580(8) Uani 1 1 d . . .
F10 F 0.3553(2) 0.3241(2) 0.8712(2) 0.1008(15) Uani 1 1 d . . .
F11 F 0.37583(16) 0.2086(3) 0.91208(18) 0.1129(17) Uani 1 1 d U . .
F12 F 0.31141(14) 0.2245(2) 0.81229(16) 0.0764(10) Uani 1 1 d . . .
F13 F 0.42745(16) 0.43621(18) 0.49791(12) 0.0592(8) Uani 1 1 d . . .
F14 F 0.51667(16) 0.47520(16) 0.58135(12) 0.0543(8) Uani 1 1 d . . .
F15 F 0.51072(18) 0.35528(18) 0.54580(15) 0.0650(9) Uani 1 1 d . . .
F16 F 0.23876(16) 0.3428(2) 0.51830(15) 0.0890(13) Uani 1 1 d . . .
F17 F 0.24809(16) 0.3840(2) 0.6068(2) 0.1131(19) Uani 1 1 d . . .
F18 F 0.25004(13) 0.25920(16) 0.58904(15) 0.0566(8) Uani 1 1 d . . .
F19 F 0.24848(15) 0.6139(4) 0.85347(16) 0.1140(18) Uani 1 1 d . . .
F20 F 0.26022(13) 0.55051(17) 0.93488(15) 0.0595(9) Uani 1 1 d . . .
F21 F 0.25978(14) 0.67690(16) 0.93833(19) 0.0741(12) Uani 1 1 d . . .
F22 F 0.08413(15) 0.5304(2) 0.99856(12) 0.0591(8) Uani 1 1 d . . .
F23 F -0.00677(15) 0.48667(16) 0.92137(12) 0.0500(7) Uani 1 1 d . . .
F24 F -0.00084(17) 0.60956(18) 0.94981(14) 0.0609(9) Uani 1 1 d . . .
F25 F 0.1251(2) 0.6475(2) 0.5995(2) 0.1128(17) Uani 1 1 d . . .
F26 F 0.17856(15) 0.7312(3) 0.67102(17) 0.0837(11) Uani 1 1 d . . .
F27 F 0.11318(18) 0.7723(3) 0.57818(19) 0.1008(15) Uani 1 1 d . . .
F28 F -0.11752(15) 0.83132(17) 0.51504(12) 0.0522(8) Uani 1 1 d . . .
F29 F -0.10393(13) 0.89282(13) 0.60129(12) 0.0409(6) Uani 1 1 d . . .
F30 F -0.16895(12) 0.78946(15) 0.56739(12) 0.0422(6) Uani 1 1 d . . .
F31 F -0.13957(13) 0.49072(16) 0.48379(11) 0.0455(7) Uani 1 1 d . . .
F32 F -0.03327(13) 0.47101(16) 0.53845(12) 0.0477(7) Uani 1 1 d . . .
F33 F -0.07076(16) 0.58843(15) 0.50047(13) 0.0513(7) Uani 1 1 d . . .
F34 F -0.27052(11) 0.54098(16) 0.58783(12) 0.0422(6) Uani 1 1 d . . .
F35 F -0.24240(12) 0.66375(15) 0.61656(13) 0.0385(6) Uani 1 1 d . . .
F36 F -0.23006(11) 0.57413(15) 0.68724(11) 0.0367(6) Uani 1 1 d . . .
O1 O 0.54969(12) 0.22293(14) 0.83312(11) 0.0213(5) Uani 1 1 d . . .
O2 O 0.41589(13) 0.27349(15) 0.79324(12) 0.0257(6) Uani 1 1 d . . .
O3 O 0.60365(12) 0.36323(14) 0.80097(11) 0.0193(5) Uani 1 1 d . . .
O4 O 0.51164(12) 0.39395(15) 0.84985(11) 0.0216(5) Uani 1 1 d . . .
O5 O 0.49134(13) 0.37035(14) 0.65635(12) 0.0236(6) Uani 1 1 d . . .
O6 O 0.37817(13) 0.30832(14) 0.66607(11) 0.0232(6) Uani 1 1 d . . .
O7 O 0.43899(13) 0.45545(13) 0.72681(12) 0.0246(6) Uani 1 1 d . . .
O8 O 0.48961(13) 0.71522(13) 0.80305(11) 0.0219(6) Uani 1 1 d . . .
O9 O 0.74669(14) 0.56409(18) 0.79678(15) 0.0379(7) Uani 1 1 d . . .
O10 O 0.59116(14) 0.60435(18) 0.88692(12) 0.0307(6) Uani 1 1 d . . .
O11 O 0.01187(13) 0.58149(14) 0.83647(12) 0.0229(6) Uani 1 1 d . . .
O12 O 0.12174(13) 0.64233(15) 0.81866(12) 0.0254(6) Uani 1 1 d . . .
O13 O -0.02736(13) 0.56684(15) 0.63480(12) 0.0251(6) Uani 1 1 d . . .
O14 O -0.10662(12) 0.59399(14) 0.69787(11) 0.0191(5) Uani 1 1 d . . .
O15 O 0.07548(13) 0.68248(15) 0.69091(12) 0.0262(6) Uani 1 1 d . . .
O16 O -0.05334(13) 0.73749(14) 0.66480(12) 0.0240(6) Uani 1 1 d . . .
O17 O -0.00559(13) 0.73516(14) 0.80255(12) 0.0239(6) Uani 1 1 d . . .
O18 O -0.05546(14) 1.00044(14) 0.74480(13) 0.0293(6) Uani 1 1 d . . .
O19 O 0.24543(15) 0.88570(18) 0.78967(15) 0.0396(7) Uani 1 1 d . . .
O20 O 0.09974(14) 0.84443(18) 0.89034(13) 0.0318(6) Uani 1 1 d . . .
N1 N 0.43556(15) 0.52424(16) 0.75068(14) 0.0188(7) Uani 1 1 d . . .
N2 N 0.45887(16) 0.64631(17) 0.78624(14) 0.0210(7) Uani 1 1 d . . .
N3 N -0.03525(16) 0.80386(17) 0.79247(14) 0.0209(7) Uani 1 1 d . . .
N4 N -0.05779(15) 0.92985(17) 0.76600(15) 0.0217(7) Uani 1 1 d . . .
C1 C 0.6044(2) 0.1533(3) 0.93164(19) 0.0303(9) Uani 1 1 d . . .
C2 C 0.54313(19) 0.1997(2) 0.88115(17) 0.0226(8) Uani 1 1 d . . .
C3 C 0.48820(19) 0.2094(2) 0.89294(18) 0.0260(9) Uani 1 1 d . . .
H3 H 0.4909 0.1929 0.9320 0.031 Uiso 1 1 calc R . .
C4 C 0.42799(19) 0.2441(2) 0.84668(18) 0.0260(9) Uani 1 1 d . . .
C5 C 0.3683(2) 0.2486(3) 0.8617(2) 0.0432(12) Uani 1 1 d . . .
C6 C 0.7200(2) 0.3659(3) 0.8748(2) 0.0296(10) Uani 1 1 d . . .
C7 C 0.64478(18) 0.3768(2) 0.85803(17) 0.0221(8) Uani 1 1 d . . .
C8 C 0.63175(18) 0.3959(2) 0.90924(17) 0.0242(8) Uani 1 1 d . . .
H8 H 0.6676 0.4049 0.9495 0.029 Uiso 1 1 calc R . .
C9 C 0.56540(19) 0.4019(2) 0.90086(17) 0.0214(8) Uani 1 1 d . . .
C10 C 0.5562(2) 0.4188(3) 0.96109(18) 0.0291(9) Uani 1 1 d . . .
C11 C 0.4748(2) 0.4127(3) 0.55535(19) 0.0364(11) Uani 1 1 d . . .
C12 C 0.4472(2) 0.3823(2) 0.59995(17) 0.0257(9) Uani 1 1 d . . .
C13 C 0.3768(2) 0.3701(2) 0.57396(18) 0.0297(10) Uani 1 1 d . . .
H13 H 0.3488 0.3854 0.5320 0.036 Uiso 1 1 calc R . .
C14 C 0.3489(2) 0.3356(2) 0.61033(17) 0.0231(8) Uani 1 1 d . . .
C15 C 0.2714(2) 0.3304(2) 0.5813(2) 0.0366(11) Uani 1 1 d . . .
C16 C 0.8045(2) 0.5818(3) 0.8559(2) 0.0436(12) Uani 1 1 d . . .
H16A H 0.8447 0.5757 0.8508 0.065 Uiso 1 1 calc R . .
H16B H 0.8060 0.5454 0.8884 0.065 Uiso 1 1 calc R . .
H16C H 0.8015 0.6363 0.8684 0.065 Uiso 1 1 calc R . .
C17 C 0.6845(2) 0.5670(2) 0.7943(2) 0.0285(9) Uani 1 1 d . . .
C18 C 0.6739(2) 0.5870(2) 0.84654(19) 0.0284(9) Uani 1 1 d . . .
H18 H 0.7102 0.5985 0.8860 0.034 Uiso 1 1 calc R . .
C19 C 0.6300(2) 0.5479(2) 0.73476(19) 0.0292(9) Uani 1 1 d . . .
H19 H 0.6380 0.5333 0.7005 0.035 Uiso 1 1 calc R . .
C20 C 0.5651(2) 0.5507(2) 0.72727(18) 0.0228(8) Uani 1 1 d . . .
H20 H 0.5291 0.5378 0.6879 0.027 Uiso 1 1 calc R . .
C21 C 0.6075(2) 0.5894(2) 0.83859(17) 0.0242(8) Uani 1 1 d . . .
C22 C 0.6449(2) 0.6264(3) 0.9490(2) 0.0365(11) Uani 1 1 d . . .
H22A H 0.6688 0.6722 0.9445 0.055 Uiso 1 1 calc R . .
H22B H 0.6756 0.5819 0.9663 0.055 Uiso 1 1 calc R . .
H22C H 0.6260 0.6396 0.9774 0.055 Uiso 1 1 calc R . .
C23 C 0.55265(18) 0.5729(2) 0.77839(17) 0.0201(8) Uani 1 1 d . . .
C24 C 0.48453(18) 0.5801(2) 0.77118(16) 0.0191(8) Uani 1 1 d . . .
C25 C 0.37059(19) 0.5518(2) 0.74948(18) 0.0223(8) Uani 1 1 d . . .
C26 C 0.3451(2) 0.4858(2) 0.7782(2) 0.0346(10) Uani 1 1 d . . .
H26A H 0.3321 0.4395 0.7506 0.052 Uiso 1 1 calc R . .
H26B H 0.3067 0.5052 0.7827 0.052 Uiso 1 1 calc R . .
H26C H 0.3803 0.4710 0.8195 0.052 Uiso 1 1 calc R . .
C27 C 0.3199(2) 0.5680(3) 0.6793(2) 0.0351(10) Uani 1 1 d . . .
H27A H 0.3368 0.6103 0.6625 0.053 Uiso 1 1 calc R . .
H27B H 0.2773 0.5840 0.6769 0.053 Uiso 1 1 calc R . .
H27C H 0.3139 0.5198 0.6546 0.053 Uiso 1 1 calc R . .
C28 C 0.3955(2) 0.6297(2) 0.7917(2) 0.0253(9) Uani 1 1 d . . .
C29 C 0.4181(2) 0.6158(3) 0.8628(2) 0.0438(12) Uani 1 1 d . . .
H29A H 0.3797 0.6018 0.8692 0.066 Uiso 1 1 calc R . .
H29B H 0.4384 0.6641 0.8862 0.066 Uiso 1 1 calc R . .
H29C H 0.4505 0.5726 0.8778 0.066 Uiso 1 1 calc R . .
C30 C 0.3483(2) 0.7020(3) 0.7668(3) 0.0454(12) Uani 1 1 d . . .
H30A H 0.3402 0.7140 0.7238 0.068 Uiso 1 1 calc R . .
H30B H 0.3687 0.7478 0.7937 0.068 Uiso 1 1 calc R . .
H30C H 0.3063 0.6897 0.7672 0.068 Uiso 1 1 calc R . .
C31 C 0.2311(2) 0.6154(3) 0.9001(2) 0.0408(12) Uani 1 1 d . . .
C32 C 0.15350(19) 0.6152(2) 0.87401(18) 0.0271(9) Uani 1 1 d . . .
C33 C 0.1283(2) 0.5857(3) 0.91423(19) 0.0320(10) Uani 1 1 d . . .
H33 H 0.1580 0.5729 0.9564 0.038 Uiso 1 1 calc R . .
C34 C 0.05858(19) 0.5746(2) 0.89238(18) 0.0236(8) Uani 1 1 d . . .
C35 C 0.0345(2) 0.5500(3) 0.9418(2) 0.0330(10) Uani 1 1 d . . .
C36 C 0.1194(2) 0.7179(3) 0.6206(2) 0.0417(11) Uani 1 1 d . . .
C37 C 0.0620(2) 0.7188(2) 0.64001(18) 0.0273(9) Uani 1 1 d . . .
C38 C 0.0019(2) 0.7585(2) 0.59986(18) 0.0271(9) Uani 1 1 d . . .
H38 H -0.0031 0.7799 0.5613 0.033 Uiso 1 1 calc R . .
C39 C -0.0500(2) 0.7666(2) 0.61639(17) 0.0238(8) Uani 1 1 d . . .
C40 C -0.1113(2) 0.8196(2) 0.5742(2) 0.0324(10) Uani 1 1 d . . .
C41 C -0.0818(2) 0.5239(2) 0.52769(19) 0.0301(9) Uani 1 1 d . . .
C42 C -0.08324(19) 0.5474(2) 0.59027(17) 0.0219(8) Uani 1 1 d . . .
C43 C -0.14579(19) 0.5480(2) 0.59046(17) 0.0210(8) Uani 1 1 d . . .
H43 H -0.1839 0.5305 0.5544 0.025 Uiso 1 1 calc R . .
C44 C -0.15225(18) 0.5744(2) 0.64385(17) 0.0199(8) Uani 1 1 d . . .
C45 C -0.22475(19) 0.5870(2) 0.63454(18) 0.0260(9) Uani 1 1 d . . .
C46 C 0.3052(2) 0.8683(3) 0.8468(2) 0.0448(12) Uani 1 1 d . . .
H46A H 0.3438 0.8735 0.8390 0.067 Uiso 1 1 calc R . .
H46B H 0.3028 0.8142 0.8603 0.067 Uiso 1 1 calc R . .
H46C H 0.3091 0.9055 0.8798 0.067 Uiso 1 1 calc R . .
C47 C 0.1848(2) 0.8835(2) 0.7910(2) 0.0287(9) Uani 1 1 d . . .
C48 C 0.1772(2) 0.8614(2) 0.8445(2) 0.0294(9) Uani 1 1 d . . .
H48 H 0.2146 0.8473 0.8824 0.035 Uiso 1 1 calc R . .
C49 C 0.1287(2) 0.9054(2) 0.73325(19) 0.0296(9) Uani 1 1 d . . .
H49 H 0.1346 0.9204 0.6979 0.036 Uiso 1 1 calc R . .
C50 C 0.0650(2) 0.9043(2) 0.72950(18) 0.0257(9) Uani 1 1 d . . .
H50 H 0.0279 0.9200 0.6918 0.031 Uiso 1 1 calc R . .
C51 C 0.1128(2) 0.8607(2) 0.84035(18) 0.0245(8) Uani 1 1 d . . .
C52 C 0.1549(2) 0.8214(3) 0.9509(2) 0.0385(11) Uani 1 1 d . . .
H52A H 0.1746 0.7721 0.9458 0.058 Uiso 1 1 calc R . .
H52B H 0.1383 0.8136 0.9818 0.058 Uiso 1 1 calc R . .
H52C H 0.1885 0.8632 0.9654 0.058 Uiso 1 1 calc R . .
C53 C 0.05581(19) 0.8799(2) 0.78222(17) 0.0218(8) Uani 1 1 d . . .
C54 C -0.01093(18) 0.8721(2) 0.77944(17) 0.0193(8) Uani 1 1 d . . .
C55 C -0.09661(19) 0.8174(2) 0.80221(19) 0.0226(8) Uani 1 1 d . . .
C56 C -0.1460(2) 0.7480(2) 0.7716(2) 0.0359(10) Uani 1 1 d . . .
H56A H -0.1554 0.7427 0.7276 0.054 Uiso 1 1 calc R . .
H56B H -0.1872 0.7587 0.7740 0.054 Uiso 1 1 calc R . .
H56C H -0.1264 0.6988 0.7940 0.054 Uiso 1 1 calc R . .
C57 C -0.0707(2) 0.8170(3) 0.8750(2) 0.0380(11) Uani 1 1 d . . .
H57A H -0.0513 0.7653 0.8918 0.057 Uiso 1 1 calc R . .
H57B H -0.1076 0.8274 0.8847 0.057 Uiso 1 1 calc R . .
H57C H -0.0369 0.8581 0.8940 0.057 Uiso 1 1 calc R . .
C58 C -0.12030(19) 0.9014(2) 0.76963(19) 0.0258(9) Uani 1 1 d . . .
C59 C -0.1766(2) 0.8969(3) 0.7010(2) 0.0418(11) Uani 1 1 d . . .
H59A H -0.1835 0.9492 0.6815 0.063 Uiso 1 1 calc R . .
H59B H -0.2176 0.8791 0.7012 0.063 Uiso 1 1 calc R . .
H59C H -0.1641 0.8594 0.6770 0.063 Uiso 1 1 calc R . .
C60 C -0.1377(2) 0.9630(2) 0.8083(2) 0.0405(11) Uani 1 1 d . . .
H60A H -0.0984 0.9734 0.8481 0.061 Uiso 1 1 calc R . .
H60B H -0.1731 0.9421 0.8168 0.061 Uiso 1 1 calc R . .
H60C H -0.1525 1.0123 0.7844 0.061 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds 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 O2 2.365(3) . ?
Eu1 O6 2.373(3) . ?
Eu1 O3 2.377(2) . ?
Eu1 O7 2.392(2) . ?
Eu1 O8 2.396(2) 2_646 ?
Eu1 O4 2.404(2) . ?
Eu1 O5 2.409(2) . ?
Eu1 O1 2.429(2) . ?
Eu2 O18 2.364(2) 2_546 ?
Eu2 O14 2.366(2) . ?
Eu2 O15 2.373(3) . ?
Eu2 O12 2.377(3) . ?
Eu2 O16 2.399(2) . ?
Eu2 O17 2.407(2) . ?
Eu2 O13 2.418(3) . ?
Eu2 O11 2.427(3) . ?
F1 C6 1.313(5) . ?
F2 C6 1.339(5) . ?
F3 C6 1.350(5) . ?
F4 C10 1.317(5) . ?
F5 C10 1.341(5) . ?
F6 C10 1.289(5) . ?
F7 C1 1.327(5) . ?
F8 C1 1.353(5) . ?
F9 C1 1.324(5) . ?
F10 C5 1.325(6) . ?
F11 C5 1.296(5) . ?
F12 C5 1.330(6) . ?
F13 C11 1.336(5) . ?
F14 C11 1.340(5) . ?
F15 C11 1.324(5) . ?
F16 C15 1.334(5) . ?
F17 C15 1.302(6) . ?
F18 C15 1.314(5) . ?
F19 C31 1.315(6) . ?
F20 C31 1.326(5) . ?
F21 C31 1.315(6) . ?
F22 C35 1.326(5) . ?
F23 C35 1.332(5) . ?
F24 C35 1.327(5) . ?
F25 C36 1.295(6) . ?
F26 C36 1.327(6) . ?
F27 C36 1.301(5) . ?
F28 C40 1.343(5) . ?
F29 C40 1.345(5) . ?
F30 C40 1.315(5) . ?
F31 C41 1.346(5) . ?
F32 C41 1.322(4) . ?
F33 C41 1.323(5) . ?
F34 C45 1.343(5) . ?
F35 C45 1.341(5) . ?
F36 C45 1.311(4) . ?
O1 C2 1.260(4) . ?
O2 C4 1.254(4) . ?
O3 C7 1.251(4) . ?
O4 C9 1.255(4) . ?
O5 C12 1.254(4) . ?
O6 C14 1.250(4) . ?
O7 N1 1.288(4) . ?
O8 N2 1.297(4) . ?
O8 Eu1 2.396(2) 2_656 ?
O9 C17 1.357(5) . ?
O9 C16 1.428(5) . ?
O10 C21 1.360(4) . ?
O10 C22 1.449(5) . ?
O11 C34 1.254(4) . ?
O12 C32 1.246(4) . ?
O13 C42 1.248(4) . ?
O14 C44 1.253(4) . ?
O15 C37 1.246(4) . ?
O16 C39 1.266(4) . ?
O17 N3 1.283(4) . ?
O18 N4 1.282(4) . ?
O18 Eu2 2.364(2) 2_556 ?
O19 C47 1.361(5) . ?
O19 C46 1.423(5) . ?
O20 C51 1.356(5) . ?
O20 C52 1.443(5) . ?
N1 C24 1.340(5) . ?
N1 C25 1.501(5) . ?
N2 C24 1.356(5) . ?
N2 C28 1.494(5) . ?
N3 C54 1.347(5) . ?
N3 C55 1.497(5) . ?
N4 C54 1.342(5) . ?
N4 C58 1.504(5) . ?
C1 C2 1.543(5) . ?
C2 C3 1.377(5) . ?
C3 C4 1.406(5) . ?
C4 C5 1.521(6) . ?
C6 C7 1.543(5) . ?
C7 C8 1.393(5) . ?
C8 C9 1.399(5) . ?
C9 C10 1.541(5) . ?
C11 C12 1.518(6) . ?
C12 C13 1.412(6) . ?
C13 C14 1.384(6) . ?
C14 C15 1.541(6) . ?
C17 C18 1.387(6) . ?
C17 C19 1.407(6) . ?
C18 C21 1.401(5) . ?
C19 C20 1.373(6) . ?
C20 C23 1.395(5) . ?
C21 C23 1.410(5) . ?
C23 C24 1.449(5) . ?
C25 C26 1.522(5) . ?
C25 C27 1.538(5) . ?
C25 C28 1.567(5) . ?
C28 C30 1.523(6) . ?
C28 C29 1.525(6) . ?
C31 C32 1.545(5) . ?
C32 C33 1.387(6) . ?
C33 C34 1.404(5) . ?
C34 C35 1.534(5) . ?
C36 C37 1.538(6) . ?
C37 C38 1.398(5) . ?
C38 C39 1.380(5) . ?
C39 C40 1.543(5) . ?
C41 C42 1.532(5) . ?
C42 C43 1.391(5) . ?
C43 C44 1.394(5) . ?
C44 C45 1.538(5) . ?
C47 C48 1.388(6) . ?
C47 C49 1.408(6) . ?
C48 C51 1.389(5) . ?
C49 C50 1.377(6) . ?
C50 C53 1.401(5) . ?
C51 C53 1.412(5) . ?
C53 C54 1.459(5) . ?
C55 C56 1.525(5) . ?
C55 C57 1.534(6) . ?
C55 C58 1.560(5) . ?
C58 C60 1.527(5) . ?
C58 C59 1.527(6) . ?

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
O2 Eu1 O6 71.46(9) . . ?
O2 Eu1 O3 133.24(8) . . ?
O6 Eu1 O3 155.16(9) . . ?
O2 Eu1 O7 96.06(9) . . ?
O6 Eu1 O7 73.09(8) . . ?
O3 Eu1 O7 98.00(8) . . ?
O2 Eu1 O8 107.46(9) . 2_646 ?
O6 Eu1 O8 81.00(9) . 2_646 ?
O3 Eu1 O8 91.40(9) . 2_646 ?
O7 Eu1 O8 137.13(8) . 2_646 ?
O2 Eu1 O4 71.20(9) . . ?
O6 Eu1 O4 123.86(9) . . ?
O3 Eu1 O4 71.88(9) . . ?
O7 Eu1 O4 70.90(9) . . ?
O8 Eu1 O4 150.42(8) 2_646 . ?
O2 Eu1 O5 143.61(9) . . ?
O6 Eu1 O5 72.22(9) . . ?
O3 Eu1 O5 82.98(9) . . ?
O7 Eu1 O5 71.21(9) . . ?
O8 Eu1 O5 68.60(8) 2_646 . ?
O4 Eu1 O5 130.36(8) . . ?
O2 Eu1 O1 71.68(9) . . ?
O6 Eu1 O1 125.95(8) . . ?
O3 Eu1 O1 73.31(8) . . ?
O7 Eu1 O1 148.62(8) . . ?
O8 Eu1 O1 74.04(8) 2_646 . ?
O4 Eu1 O1 77.77(8) . . ?
O5 Eu1 O1 134.81(9) . . ?
O18 Eu2 O14 98.16(9) 2_546 . ?
O18 Eu2 O15 94.92(9) 2_546 . ?
O14 Eu2 O15 134.70(9) . . ?
O18 Eu2 O12 72.85(9) 2_546 . ?
O14 Eu2 O12 153.80(8) . . ?
O15 Eu2 O12 71.35(9) . . ?
O18 Eu2 O16 149.49(9) 2_546 . ?
O14 Eu2 O16 75.39(9) . . ?
O15 Eu2 O16 71.62(9) . . ?
O12 Eu2 O16 124.58(9) . . ?
O18 Eu2 O17 136.02(9) 2_546 . ?
O14 Eu2 O17 90.71(9) . . ?
O15 Eu2 O17 108.91(9) . . ?
O12 Eu2 O17 80.39(9) . . ?
O16 Eu2 O17 74.40(8) . . ?
O18 Eu2 O13 71.71(9) 2_546 . ?
O14 Eu2 O13 71.68(9) . . ?
O15 Eu2 O13 71.78(9) . . ?
O12 Eu2 O13 125.35(9) . . ?
O16 Eu2 O13 78.02(9) . . ?
O17 Eu2 O13 150.30(8) . . ?
O18 Eu2 O11 72.60(9) 2_546 . ?
O14 Eu2 O11 81.36(9) . . ?
O15 Eu2 O11 143.79(9) . . ?
O12 Eu2 O11 72.49(9) . . ?
O16 Eu2 O11 133.65(9) . . ?
O17 Eu2 O11 66.31(8) . . ?
O13 Eu2 O11 130.94(9) . . ?
C2 O1 Eu1 131.0(2) . . ?
C4 O2 Eu1 131.7(2) . . ?
C7 O3 Eu1 131.9(2) . . ?
C9 O4 Eu1 131.2(2) . . ?
C12 O5 Eu1 134.0(3) . . ?
C14 O6 Eu1 134.1(3) . . ?
N1 O7 Eu1 144.1(2) . . ?
N2 O8 Eu1 134.9(2) . 2_656 ?
C17 O9 C16 118.9(3) . . ?
C21 O10 C22 118.2(3) . . ?
C34 O11 Eu2 133.0(2) . . ?
C32 O12 Eu2 134.3(3) . . ?
C42 O13 Eu2 134.3(2) . . ?
C44 O14 Eu2 134.3(2) . . ?
C37 O15 Eu2 133.3(3) . . ?
C39 O16 Eu2 132.1(2) . . ?
N3 O17 Eu2 136.1(2) . . ?
N4 O18 Eu2 149.7(2) . 2_556 ?
C47 O19 C46 118.8(3) . . ?
C51 O20 C52 118.9(3) . . ?
O7 N1 C24 124.7(3) . . ?
O7 N1 C25 120.5(3) . . ?
C24 N1 C25 114.4(3) . . ?
O8 N2 C24 124.5(3) . . ?
O8 N2 C28 121.5(3) . . ?
C24 N2 C28 113.4(3) . . ?
O17 N3 C54 124.2(3) . . ?
O17 N3 C55 122.1(3) . . ?
C54 N3 C55 113.3(3) . . ?
O18 N4 C54 125.4(3) . . ?
O18 N4 C58 120.6(3) . . ?
C54 N4 C58 113.6(3) . . ?
F9 C1 F7 107.3(3) . . ?
F9 C1 F8 106.6(3) . . ?
F7 C1 F8 106.9(3) . . ?
F9 C1 C2 113.8(3) . . ?
F7 C1 C2 112.6(3) . . ?
F8 C1 C2 109.2(3) . . ?
O1 C2 C3 128.0(3) . . ?
O1 C2 C1 114.7(3) . . ?
C3 C2 C1 117.2(3) . . ?
C2 C3 C4 120.8(4) . . ?
O2 C4 C3 128.8(4) . . ?
O2 C4 C5 113.5(3) . . ?
C3 C4 C5 117.7(3) . . ?
F11 C5 F10 106.2(5) . . ?
F11 C5 F12 108.7(4) . . ?
F10 C5 F12 103.7(4) . . ?
F11 C5 C4 114.9(4) . . ?
F10 C5 C4 111.2(4) . . ?
F12 C5 C4 111.5(4) . . ?
F1 C6 F2 108.4(3) . . ?
F1 C6 F3 107.1(3) . . ?
F2 C6 F3 106.9(3) . . ?
F1 C6 C7 112.1(3) . . ?
F2 C6 C7 109.4(3) . . ?
F3 C6 C7 112.6(3) . . ?
O3 C7 C8 128.8(3) . . ?
O3 C7 C6 115.6(3) . . ?
C8 C7 C6 115.5(3) . . ?
C7 C8 C9 120.8(3) . . ?
O4 C9 C8 127.7(3) . . ?
O4 C9 C10 115.3(3) . . ?
C8 C9 C10 117.0(3) . . ?
F6 C10 F4 110.1(4) . . ?
F6 C10 F5 106.6(4) . . ?
F4 C10 F5 103.9(3) . . ?
F6 C10 C9 112.5(3) . . ?
F4 C10 C9 113.5(3) . . ?
F5 C10 C9 109.6(3) . . ?
F15 C11 F13 107.3(3) . . ?
F15 C11 F14 106.6(4) . . ?
F13 C11 F14 107.4(3) . . ?
F15 C11 C12 109.9(3) . . ?
F13 C11 C12 114.3(4) . . ?
F14 C11 C12 110.9(3) . . ?
O5 C12 C13 128.0(4) . . ?
O5 C12 C11 114.3(4) . . ?
C13 C12 C11 117.7(3) . . ?
C14 C13 C12 120.7(3) . . ?
O6 C14 C13 128.9(4) . . ?
O6 C14 C15 112.7(4) . . ?
C13 C14 C15 118.3(3) . . ?
F17 C15 F18 107.9(5) . . ?
F17 C15 F16 105.9(4) . . ?
F18 C15 F16 104.0(3) . . ?
F17 C15 C14 110.9(3) . . ?
F18 C15 C14 113.0(3) . . ?
F16 C15 C14 114.6(4) . . ?
O9 C17 C18 123.2(4) . . ?
O9 C17 C19 115.7(4) . . ?
C18 C17 C19 121.1(4) . . ?
C17 C18 C21 118.6(4) . . ?
C20 C19 C17 119.9(4) . . ?
C19 C20 C23 120.3(4) . . ?
O10 C21 C18 123.9(3) . . ?
O10 C21 C23 115.7(3) . . ?
C18 C21 C23 120.4(3) . . ?
C20 C23 C21 119.5(3) . . ?
C20 C23 C24 121.6(3) . . ?
C21 C23 C24 118.8(3) . . ?
N1 C24 N2 106.5(3) . . ?
N1 C24 C23 128.3(3) . . ?
N2 C24 C23 125.2(3) . . ?
N1 C25 C26 108.7(3) . . ?
N1 C25 C27 107.7(3) . . ?
C26 C25 C27 111.1(3) . . ?
N1 C25 C28 100.2(3) . . ?
C26 C25 C28 114.1(3) . . ?
C27 C25 C28 114.1(3) . . ?
N2 C28 C30 109.5(3) . . ?
N2 C28 C29 105.5(3) . . ?
C30 C28 C29 111.4(4) . . ?
N2 C28 C25 100.0(3) . . ?
C30 C28 C25 114.9(3) . . ?
C29 C28 C25 114.3(3) . . ?
F19 C31 F21 110.3(5) . . ?
F19 C31 F20 104.5(4) . . ?
F21 C31 F20 105.1(3) . . ?
F19 C31 C32 111.5(3) . . ?
F21 C31 C32 112.3(4) . . ?
F20 C31 C32 112.8(4) . . ?
O12 C32 C33 128.6(4) . . ?
O12 C32 C31 114.5(4) . . ?
C33 C32 C31 117.0(4) . . ?
C32 C33 C34 121.1(4) . . ?
O11 C34 C33 128.4(4) . . ?
O11 C34 C35 114.0(3) . . ?
C33 C34 C35 117.6(3) . . ?
F22 C35 F24 108.3(4) . . ?
F22 C35 F23 106.9(3) . . ?
F24 C35 F23 106.4(4) . . ?
F22 C35 C34 114.1(4) . . ?
F24 C35 C34 109.9(3) . . ?
F23 C35 C34 110.9(3) . . ?
F25 C36 F27 109.2(5) . . ?
F25 C36 F26 105.1(4) . . ?
F27 C36 F26 106.6(4) . . ?
F25 C36 C37 111.0(4) . . ?
F27 C36 C37 113.8(4) . . ?
F26 C36 C37 110.6(4) . . ?
O15 C37 C38 127.9(4) . . ?
O15 C37 C36 114.0(4) . . ?
C38 C37 C36 118.1(4) . . ?
C39 C38 C37 121.3(4) . . ?
O16 C39 C38 127.7(4) . . ?
O16 C39 C40 113.5(4) . . ?
C38 C39 C40 118.8(3) . . ?
F30 C40 F28 107.0(3) . . ?
F30 C40 F29 107.6(4) . . ?
F28 C40 F29 106.9(3) . . ?
F30 C40 C39 112.8(3) . . ?
F28 C40 C39 113.1(4) . . ?
F29 C40 C39 109.1(3) . . ?
F32 C41 F33 108.4(4) . . ?
F32 C41 F31 106.6(3) . . ?
F33 C41 F31 106.4(3) . . ?
F32 C41 C42 110.8(3) . . ?
F33 C41 C42 110.2(3) . . ?
F31 C41 C42 114.1(3) . . ?
O13 C42 C43 127.6(4) . . ?
O13 C42 C41 114.9(3) . . ?
C43 C42 C41 117.4(3) . . ?
C42 C43 C44 121.0(3) . . ?
O14 C44 C43 128.6(3) . . ?
O14 C44 C45 115.0(3) . . ?
C43 C44 C45 116.3(3) . . ?
F36 C45 F35 108.2(3) . . ?
F36 C45 F34 108.5(3) . . ?
F35 C45 F34 106.1(3) . . ?
F36 C45 C44 112.3(3) . . ?
F35 C45 C44 108.2(3) . . ?
F34 C45 C44 113.2(3) . . ?
O19 C47 C48 123.6(4) . . ?
O19 C47 C49 115.1(4) . . ?
C48 C47 C49 121.2(4) . . ?
C47 C48 C51 118.9(4) . . ?
C50 C49 C47 119.6(4) . . ?
C49 C50 C53 120.2(4) . . ?
O20 C51 C48 124.0(4) . . ?
O20 C51 C53 115.4(3) . . ?
C48 C51 C53 120.5(4) . . ?
C50 C53 C51 119.4(4) . . ?
C50 C53 C54 122.5(3) . . ?
C51 C53 C54 118.0(3) . . ?
N4 C54 N3 107.7(3) . . ?
N4 C54 C53 127.7(3) . . ?
N3 C54 C53 124.6(3) . . ?
N3 C55 C56 108.9(3) . . ?
N3 C55 C57 105.1(3) . . ?
C56 C55 C57 110.3(3) . . ?
N3 C55 C58 100.8(3) . . ?
C56 C55 C58 115.6(3) . . ?
C57 C55 C58 115.0(3) . . ?
N4 C58 C60 108.2(3) . . ?
N4 C58 C59 106.9(3) . . ?
C60 C58 C59 110.6(4) . . ?
N4 C58 C55 101.1(3) . . ?
C60 C58 C55 115.2(3) . . ?
C59 C58 C55 113.9(3) . . ?

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
O2 Eu1 O1 C2 -26.7(3) . . . . ?
O6 Eu1 O1 C2 -75.9(3) . . . . ?
O3 Eu1 O1 C2 121.8(3) . . . . ?
O7 Eu1 O1 C2 44.0(4) . . . . ?
O8 Eu1 O1 C2 -141.8(3) 2_646 . . . ?
O4 Eu1 O1 C2 47.3(3) . . . . ?
O5 Eu1 O1 C2 -176.8(3) . . . . ?
O6 Eu1 O2 C4 167.6(4) . . . . ?
O3 Eu1 O2 C4 -15.6(4) . . . . ?
O7 Eu1 O2 C4 -122.6(3) . . . . ?
O8 Eu1 O2 C4 93.7(3) 2_646 . . . ?
O4 Eu1 O2 C4 -55.1(3) . . . . ?
O5 Eu1 O2 C4 171.1(3) . . . . ?
O1 Eu1 O2 C4 27.8(3) . . . . ?
O2 Eu1 O3 C7 -13.1(3) . . . . ?
O6 Eu1 O3 C7 159.7(3) . . . . ?
O7 Eu1 O3 C7 93.0(3) . . . . ?
O8 Eu1 O3 C7 -128.9(3) 2_646 . . . ?
O4 Eu1 O3 C7 26.2(3) . . . . ?
O5 Eu1 O3 C7 162.9(3) . . . . ?
O1 Eu1 O3 C7 -56.0(3) . . . . ?
O2 Eu1 O4 C9 123.1(3) . . . . ?
O6 Eu1 O4 C9 173.9(3) . . . . ?
O3 Eu1 O4 C9 -27.7(3) . . . . ?
O7 Eu1 O4 C9 -133.2(3) . . . . ?
O8 Eu1 O4 C9 30.7(4) 2_646 . . . ?
O5 Eu1 O4 C9 -91.1(3) . . . . ?
O1 Eu1 O4 C9 48.6(3) . . . . ?
O2 Eu1 O5 C12 4.1(4) . . . . ?
O6 Eu1 O5 C12 7.7(3) . . . . ?
O3 Eu1 O5 C12 -170.9(3) . . . . ?
O7 Eu1 O5 C12 -70.0(3) . . . . ?
O8 Eu1 O5 C12 94.8(3) 2_646 . . . ?
O4 Eu1 O5 C12 -112.0(3) . . . . ?
O1 Eu1 O5 C12 131.1(3) . . . . ?
O2 Eu1 O6 C14 162.0(3) . . . . ?
O3 Eu1 O6 C14 -12.5(4) . . . . ?
O7 Eu1 O6 C14 59.4(3) . . . . ?
O8 Eu1 O6 C14 -86.0(3) 2_646 . . . ?
O4 Eu1 O6 C14 111.4(3) . . . . ?
O5 Eu1 O6 C14 -15.7(3) . . . . ?
O1 Eu1 O6 C14 -148.7(3) . . . . ?
O2 Eu1 O7 N1 76.6(4) . . . . ?
O6 Eu1 O7 N1 145.1(4) . . . . ?
O3 Eu1 O7 N1 -58.7(4) . . . . ?
O8 Eu1 O7 N1 -159.5(3) 2_646 . . . ?
O4 Eu1 O7 N1 8.9(4) . . . . ?
O5 Eu1 O7 N1 -138.4(4) . . . . ?
O1 Eu1 O7 N1 12.2(5) . . . . ?
O18 Eu2 O11 C34 77.3(3) 2_546 . . . ?
O14 Eu2 O11 C34 178.7(3) . . . . ?
O15 Eu2 O11 C34 3.3(4) . . . . ?
O12 Eu2 O11 C34 0.3(3) . . . . ?
O16 Eu2 O11 C34 -121.1(3) . . . . ?
O17 Eu2 O11 C34 -86.7(3) . . . . ?
O13 Eu2 O11 C34 122.3(3) . . . . ?
O18 Eu2 O12 C32 -63.7(3) 2_546 . . . ?
O14 Eu2 O12 C32 9.4(5) . . . . ?
O15 Eu2 O12 C32 -165.2(4) . . . . ?
O16 Eu2 O12 C32 144.4(3) . . . . ?
O17 Eu2 O12 C32 81.0(4) . . . . ?
O13 Eu2 O12 C32 -115.3(3) . . . . ?
O11 Eu2 O12 C32 13.0(3) . . . . ?
O18 Eu2 O13 C42 118.4(3) 2_546 . . . ?
O14 Eu2 O13 C42 12.9(3) . . . . ?
O15 Eu2 O13 C42 -139.9(3) . . . . ?
O12 Eu2 O13 C42 170.4(3) . . . . ?
O16 Eu2 O13 C42 -65.5(3) . . . . ?
O17 Eu2 O13 C42 -43.5(4) . . . . ?
O11 Eu2 O13 C42 73.1(3) . . . . ?
O18 Eu2 O14 C44 -84.3(3) 2_546 . . . ?
O15 Eu2 O14 C44 21.0(3) . . . . ?
O12 Eu2 O14 C44 -151.8(3) . . . . ?
O16 Eu2 O14 C44 65.2(3) . . . . ?
O17 Eu2 O14 C44 138.9(3) . . . . ?
O13 Eu2 O14 C44 -16.8(3) . . . . ?
O11 Eu2 O14 C44 -155.2(3) . . . . ?
O18 Eu2 O15 C37 128.1(3) 2_546 . . . ?
O14 Eu2 O15 C37 21.5(4) . . . . ?
O12 Eu2 O15 C37 -161.9(4) . . . . ?
O16 Eu2 O15 C37 -23.9(3) . . . . ?
O17 Eu2 O15 C37 -89.4(3) . . . . ?
O13 Eu2 O15 C37 59.2(3) . . . . ?
O11 Eu2 O15 C37 -164.9(3) . . . . ?
O18 Eu2 O16 C39 -43.4(4) 2_546 . . . ?
O14 Eu2 O16 C39 -124.6(3) . . . . ?
O15 Eu2 O16 C39 23.9(3) . . . . ?
O12 Eu2 O16 C39 74.3(3) . . . . ?
O17 Eu2 O16 C39 140.5(3) . . . . ?
O13 Eu2 O16 C39 -50.6(3) . . . . ?
O11 Eu2 O16 C39 173.0(3) . . . . ?
O18 Eu2 O17 N3 -174.0(3) 2_546 . . . ?
O14 Eu2 O17 N3 -71.5(3) . . . . ?
O15 Eu2 O17 N3 66.9(3) . . . . ?
O12 Eu2 O17 N3 133.3(3) . . . . ?
O16 Eu2 O17 N3 3.1(3) . . . . ?
O13 Eu2 O17 N3 -19.3(4) . . . . ?
O11 Eu2 O17 N3 -151.7(3) . . . . ?
Eu1 O7 N1 C24 75.0(5) . . . . ?
Eu1 O7 N1 C25 -113.0(4) . . . . ?
Eu1 O8 N2 C24 75.4(4) 2_656 . . . ?
Eu1 O8 N2 C28 -114.3(3) 2_656 . . . ?
Eu2 O17 N3 C54 -77.2(4) . . . . ?
Eu2 O17 N3 C55 110.6(4) . . . . ?
Eu2 O18 N4 C54 -72.8(6) 2_556 . . . ?
Eu2 O18 N4 C58 115.4(5) 2_556 . . . ?
Eu1 O1 C2 C3 18.6(6) . . . . ?
Eu1 O1 C2 C1 -162.6(2) . . . . ?
F9 C1 C2 O1 162.7(4) . . . . ?
F7 C1 C2 O1 40.2(5) . . . . ?
F8 C1 C2 O1 -78.4(4) . . . . ?
F9 C1 C2 C3 -18.5(5) . . . . ?
F7 C1 C2 C3 -140.9(4) . . . . ?
F8 C1 C2 C3 100.5(4) . . . . ?
O1 C2 C3 C4 4.8(6) . . . . ?
C1 C2 C3 C4 -173.9(3) . . . . ?
Eu1 O2 C4 C3 -21.2(6) . . . . ?
Eu1 O2 C4 C5 158.2(3) . . . . ?
C2 C3 C4 O2 -4.0(7) . . . . ?
C2 C3 C4 C5 176.6(4) . . . . ?
O2 C4 C5 F11 170.5(4) . . . . ?
C3 C4 C5 F11 -10.0(7) . . . . ?
O2 C4 C5 F10 -68.8(5) . . . . ?
C3 C4 C5 F10 110.7(5) . . . . ?
O2 C4 C5 F12 46.3(5) . . . . ?
C3 C4 C5 F12 -134.2(4) . . . . ?
Eu1 O3 C7 C8 -21.0(6) . . . . ?
Eu1 O3 C7 C6 155.1(2) . . . . ?
F1 C6 C7 O3 29.4(5) . . . . ?
F2 C6 C7 O3 -90.9(4) . . . . ?
F3 C6 C7 O3 150.4(3) . . . . ?
F1 C6 C7 C8 -154.0(3) . . . . ?
F2 C6 C7 C8 85.7(4) . . . . ?
F3 C6 C7 C8 -33.1(5) . . . . ?
O3 C7 C8 C9 0.4(6) . . . . ?
C6 C7 C8 C9 -175.6(3) . . . . ?
Eu1 O4 C9 C8 23.9(6) . . . . ?
Eu1 O4 C9 C10 -155.1(2) . . . . ?
C7 C8 C9 O4 -2.2(6) . . . . ?
C7 C8 C9 C10 176.8(3) . . . . ?
O4 C9 C10 F6 -3.2(5) . . . . ?
C8 C9 C10 F6 177.7(4) . . . . ?
O4 C9 C10 F4 -129.0(4) . . . . ?
C8 C9 C10 F4 51.8(5) . . . . ?
O4 C9 C10 F5 115.3(4) . . . . ?
C8 C9 C10 F5 -63.8(5) . . . . ?
Eu1 O5 C12 C13 -0.7(6) . . . . ?
Eu1 O5 C12 C11 -180.0(2) . . . . ?
F15 C11 C12 O5 68.2(4) . . . . ?
F13 C11 C12 O5 -171.0(3) . . . . ?
F14 C11 C12 O5 -49.4(5) . . . . ?
F15 C11 C12 C13 -111.1(4) . . . . ?
F13 C11 C12 C13 9.7(5) . . . . ?
F14 C11 C12 C13 131.2(4) . . . . ?
O5 C12 C13 C14 -5.2(6) . . . . ?
C11 C12 C13 C14 174.0(4) . . . . ?
Eu1 O6 C14 C13 17.5(6) . . . . ?
Eu1 O6 C14 C15 -160.7(2) . . . . ?
C12 C13 C14 O6 -3.2(6) . . . . ?
C12 C13 C14 C15 174.9(3) . . . . ?
O6 C14 C15 F17 73.5(5) . . . . ?
C13 C14 C15 F17 -104.9(5) . . . . ?
O6 C14 C15 F18 -47.8(5) . . . . ?
C13 C14 C15 F18 133.8(4) . . . . ?
O6 C14 C15 F16 -166.7(3) . . . . ?
C13 C14 C15 F16 14.9(5) . . . . ?
C16 O9 C17 C18 0.4(6) . . . . ?
C16 O9 C17 C19 -179.2(3) . . . . ?
O9 C17 C18 C21 179.1(4) . . . . ?
C19 C17 C18 C21 -1.3(6) . . . . ?
O9 C17 C19 C20 -178.8(3) . . . . ?
C18 C17 C19 C20 1.6(6) . . . . ?
C17 C19 C20 C23 0.3(6) . . . . ?
C22 O10 C21 C18 5.9(5) . . . . ?
C22 O10 C21 C23 -176.4(3) . . . . ?
C17 C18 C21 O10 176.7(4) . . . . ?
C17 C18 C21 C23 -0.9(6) . . . . ?
C19 C20 C23 C21 -2.5(5) . . . . ?
C19 C20 C23 C24 177.1(3) . . . . ?
O10 C21 C23 C20 -175.0(3) . . . . ?
C18 C21 C23 C20 2.8(5) . . . . ?
O10 C21 C23 C24 5.4(5) . . . . ?
C18 C21 C23 C24 -176.8(3) . . . . ?
O7 N1 C24 N2 173.7(3) . . . . ?
C25 N1 C24 N2 1.3(4) . . . . ?
O7 N1 C24 C23 -8.0(6) . . . . ?
C25 N1 C24 C23 179.6(3) . . . . ?
O8 N2 C24 N1 -174.2(3) . . . . ?
C28 N2 C24 N1 14.8(4) . . . . ?
O8 N2 C24 C23 7.4(5) . . . . ?
C28 N2 C24 C23 -163.6(3) . . . . ?
C20 C23 C24 N1 56.3(5) . . . . ?
C21 C23 C24 N1 -124.1(4) . . . . ?
C20 C23 C24 N2 -125.6(4) . . . . ?
C21 C23 C24 N2 54.0(5) . . . . ?
O7 N1 C25 C26 52.3(4) . . . . ?
C24 N1 C25 C26 -135.0(3) . . . . ?
O7 N1 C25 C27 -68.2(4) . . . . ?
C24 N1 C25 C27 104.6(3) . . . . ?
O7 N1 C25 C28 172.3(3) . . . . ?
C24 N1 C25 C28 -15.0(4) . . . . ?
O8 N2 C28 C30 44.4(5) . . . . ?
C24 N2 C28 C30 -144.3(3) . . . . ?
O8 N2 C28 C29 -75.6(4) . . . . ?
C24 N2 C28 C29 95.7(4) . . . . ?
O8 N2 C28 C25 165.5(3) . . . . ?
C24 N2 C28 C25 -23.2(4) . . . . ?
N1 C25 C28 N2 20.6(3) . . . . ?
C26 C25 C28 N2 136.5(3) . . . . ?
C27 C25 C28 N2 -94.2(4) . . . . ?
N1 C25 C28 C30 137.7(4) . . . . ?
C26 C25 C28 C30 -106.4(4) . . . . ?
C27 C25 C28 C30 22.9(5) . . . . ?
N1 C25 C28 C29 -91.5(4) . . . . ?
C26 C25 C28 C29 24.4(5) . . . . ?
C27 C25 C28 C29 153.7(4) . . . . ?
Eu2 O12 C32 C33 -19.3(7) . . . . ?
Eu2 O12 C32 C31 160.8(3) . . . . ?
F19 C31 C32 O12 -24.5(6) . . . . ?
F21 C31 C32 O12 99.8(5) . . . . ?
F20 C31 C32 O12 -141.8(4) . . . . ?
F19 C31 C32 C33 155.5(5) . . . . ?
F21 C31 C32 C33 -80.2(5) . . . . ?
F20 C31 C32 C33 38.3(6) . . . . ?
O12 C32 C33 C34 7.3(7) . . . . ?
C31 C32 C33 C34 -172.7(4) . . . . ?
Eu2 O11 C34 C33 -8.5(6) . . . . ?
Eu2 O11 C34 C35 172.1(2) . . . . ?
C32 C33 C34 O11 6.8(7) . . . . ?
C32 C33 C34 C35 -173.8(4) . . . . ?
O11 C34 C35 F22 170.0(3) . . . . ?
C33 C34 C35 F22 -9.4(5) . . . . ?
O11 C34 C35 F24 -68.1(4) . . . . ?
C33 C34 C35 F24 112.5(4) . . . . ?
O11 C34 C35 F23 49.3(5) . . . . ?
C33 C34 C35 F23 -130.2(4) . . . . ?
Eu2 O15 C37 C38 16.8(6) . . . . ?
Eu2 O15 C37 C36 -162.7(3) . . . . ?
F25 C36 C37 O15 73.6(5) . . . . ?
F27 C36 C37 O15 -162.7(4) . . . . ?
F26 C36 C37 O15 -42.7(5) . . . . ?
F25 C36 C37 C38 -106.0(5) . . . . ?
F27 C36 C37 C38 17.7(6) . . . . ?
F26 C36 C37 C38 137.7(4) . . . . ?
O15 C37 C38 C39 5.0(6) . . . . ?
C36 C37 C38 C39 -175.5(4) . . . . ?
Eu2 O16 C39 C38 -17.3(6) . . . . ?
Eu2 O16 C39 C40 165.4(2) . . . . ?
C37 C38 C39 O16 -4.4(6) . . . . ?
C37 C38 C39 C40 172.8(3) . . . . ?
O16 C39 C40 F30 -40.7(5) . . . . ?
C38 C39 C40 F30 141.8(4) . . . . ?
O16 C39 C40 F28 -162.2(3) . . . . ?
C38 C39 C40 F28 20.2(5) . . . . ?
O16 C39 C40 F29 78.9(4) . . . . ?
C38 C39 C40 F29 -98.7(4) . . . . ?
Eu2 O13 C42 C43 -9.9(6) . . . . ?
Eu2 O13 C42 C41 167.3(2) . . . . ?
F32 C41 C42 O13 49.3(5) . . . . ?
F33 C41 C42 O13 -70.7(4) . . . . ?
F31 C41 C42 O13 169.7(3) . . . . ?
F32 C41 C42 C43 -133.2(4) . . . . ?
F33 C41 C42 C43 106.8(4) . . . . ?
F31 C41 C42 C43 -12.9(5) . . . . ?
O13 C42 C43 C44 1.9(6) . . . . ?
C41 C42 C43 C44 -175.2(3) . . . . ?
Eu2 O14 C44 C43 18.3(5) . . . . ?
Eu2 O14 C44 C45 -157.0(2) . . . . ?
C42 C43 C44 O14 -6.0(6) . . . . ?
C42 C43 C44 C45 169.2(3) . . . . ?
O14 C44 C45 F36 -34.3(4) . . . . ?
C43 C44 C45 F36 149.9(3) . . . . ?
O14 C44 C45 F35 85.1(4) . . . . ?
C43 C44 C45 F35 -90.8(4) . . . . ?
O14 C44 C45 F34 -157.6(3) . . . . ?
C43 C44 C45 F34 26.6(5) . . . . ?
C46 O19 C47 C48 -3.2(6) . . . . ?
C46 O19 C47 C49 177.0(3) . . . . ?
O19 C47 C48 C51 -179.5(4) . . . . ?
C49 C47 C48 C51 0.3(6) . . . . ?
O19 C47 C49 C50 179.4(3) . . . . ?
C48 C47 C49 C50 -0.4(6) . . . . ?
C47 C49 C50 C53 -1.6(6) . . . . ?
C52 O20 C51 C48 -4.0(6) . . . . ?
C52 O20 C51 C53 177.8(3) . . . . ?
C47 C48 C51 O20 -176.3(3) . . . . ?
C47 C48 C51 C53 1.9(6) . . . . ?
C49 C50 C53 C51 3.6(5) . . . . ?
C49 C50 C53 C54 -175.5(3) . . . . ?
O20 C51 C53 C50 174.5(3) . . . . ?
C48 C51 C53 C50 -3.8(5) . . . . ?
O20 C51 C53 C54 -6.3(5) . . . . ?
C48 C51 C53 C54 175.4(3) . . . . ?
O18 N4 C54 N3 -172.2(3) . . . . ?
C58 N4 C54 N3 0.1(4) . . . . ?
O18 N4 C54 C53 9.8(6) . . . . ?
C58 N4 C54 C53 -177.9(3) . . . . ?
O17 N3 C54 N4 174.5(3) . . . . ?
C55 N3 C54 N4 -12.7(4) . . . . ?
O17 N3 C54 C53 -7.5(5) . . . . ?
C55 N3 C54 C53 165.4(3) . . . . ?
C50 C53 C54 N4 -59.9(5) . . . . ?
C51 C53 C54 N4 120.9(4) . . . . ?
C50 C53 C54 N3 122.4(4) . . . . ?
C51 C53 C54 N3 -56.7(5) . . . . ?
O17 N3 C55 C56 -46.0(5) . . . . ?
C54 N3 C55 C56 141.0(3) . . . . ?
O17 N3 C55 C57 72.2(4) . . . . ?
C54 N3 C55 C57 -100.8(3) . . . . ?
O17 N3 C55 C58 -168.0(3) . . . . ?
C54 N3 C55 C58 19.0(4) . . . . ?
O18 N4 C58 C60 -54.6(4) . . . . ?
C54 N4 C58 C60 132.7(3) . . . . ?
O18 N4 C58 C59 64.6(4) . . . . ?
C54 N4 C58 C59 -108.1(4) . . . . ?
O18 N4 C58 C55 -176.0(3) . . . . ?
C54 N4 C58 C55 11.3(4) . . . . ?
N3 C55 C58 N4 -16.5(3) . . . . ?
C56 C55 C58 N4 -133.7(3) . . . . ?
C57 C55 C58 N4 96.0(4) . . . . ?
N3 C55 C58 C60 -132.8(3) . . . . ?
C56 C55 C58 C60 110.0(4) . . . . ?
C57 C55 C58 C60 -20.4(5) . . . . ?
N3 C55 C58 C59 97.8(4) . . . . ?
C56 C55 C58 C59 -19.4(5) . . . . ?
C57 C55 C58 C59 -149.7(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.108
_refine_diff_density_min         -0.871
_refine_diff_density_rms         0.097
####################################################################### 
# 
# 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_Gd
_database_code_depnum_ccdc_archive 'CCDC 1009369'
_audit_update_record             
;
2014-06-20 deposited with the CCDC.
2015-01-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H24 F18 Gd N2 O10'
_chemical_formula_weight         1071.76

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'
F F 0.0171 0.0103 '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'
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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   22.261(4)
_cell_length_b                   16.582(3)
_cell_length_c                   23.453(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 117.45(3)
_cell_angle_gamma                90.00
_cell_volume                     7683(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    113(2)
_cell_measurement_reflns_used    21380
_cell_measurement_theta_min      1.5702
_cell_measurement_theta_max      28.0570

_exptl_crystal_description       Prism
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.853
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4191
_exptl_absorpt_coefficient_mu    1.869
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.8029
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   CrystalClear

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      113(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            77535
_diffrn_reflns_av_R_equivalents  0.0665
_diffrn_reflns_av_sigmaI/netI    0.0626
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.57
_diffrn_reflns_theta_max         27.87
_reflns_number_total             18178
_reflns_number_gt                14649
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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 > 2sigma(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)+(0.0500P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         18178
_refine_ls_number_parameters     1111
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0603
_refine_ls_R_factor_gt           0.0444
_refine_ls_wR_factor_ref         0.1049
_refine_ls_wR_factor_gt          0.0969
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.035
_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 0.508447(8) 0.368118(11) 0.237782(8) 0.01794(6) Uani 1 1 d . . .
Gd2 Gd -0.011699(8) 0.676431(11) 0.252519(8) 0.01702(6) Uani 1 1 d . . .
O1 O 0.25435(15) 0.6137(2) 0.21012(16) 0.0431(8) Uani 1 1 d . . .
O2 O 0.40005(14) 0.65435(18) 0.10947(12) 0.0313(7) Uani 1 1 d . . .
O3 O 0.55522(14) 0.49853(16) 0.25544(13) 0.0299(6) Uani 1 1 d . . .
O4 O -0.06051(14) 0.54527(15) 0.22731(12) 0.0254(6) Uani 1 1 d . . .
O5 O 0.51160(13) 0.41757(15) 0.33613(12) 0.0235(6) Uani 1 1 d . . .
O6 O 0.62127(13) 0.35686(16) 0.31846(12) 0.0258(6) Uani 1 1 d . . .
O7 O 0.39436(12) 0.40545(15) 0.19878(11) 0.0211(5) Uani 1 1 d . . .
O8 O 0.47341(13) 0.43270(16) 0.13558(12) 0.0262(6) Uani 1 1 d . . .
O9 O 0.44724(13) 0.26240(16) 0.16509(12) 0.0250(6) Uani 1 1 d . . .
O10 O 0.57569(13) 0.31806(16) 0.19157(12) 0.0275(6) Uani 1 1 d . . .
O11 O 0.24744(15) 0.43638(19) 0.29754(15) 0.0392(8) Uani 1 1 d . . .
O12 O 0.09184(14) 0.39592(19) 0.38744(12) 0.0333(7) Uani 1 1 d . . .
O13 O 0.01019(13) 0.78471(15) 0.19731(12) 0.0245(6) Uani 1 1 d . . .
O14 O 0.49468(13) 0.26465(15) 0.30210(12) 0.0250(6) Uani 1 1 d . . .
O15 O 0.01164(12) 0.60677(16) 0.34991(11) 0.0235(6) Uani 1 1 d . . .
O16 O 0.10340(12) 0.63750(15) 0.30056(11) 0.0207(5) Uani 1 1 d . . .
O17 O -0.12115(13) 0.69141(16) 0.16670(12) 0.0253(6) Uani 1 1 d . . .
O18 O -0.00766(14) 0.62998(16) 0.15734(12) 0.0254(6) Uani 1 1 d . . .
O19 O -0.08406(13) 0.72638(16) 0.29268(12) 0.0268(6) Uani 1 1 d . . .
O20 O 0.04947(12) 0.77718(15) 0.33265(11) 0.0226(6) Uani 1 1 d . . .
N1 N 0.55765(16) 0.56933(18) 0.23394(15) 0.0236(7) Uani 1 1 d . . .
N2 N -0.06399(16) 0.47640(18) 0.25128(14) 0.0214(7) Uani 1 1 d . . .
N3 N 0.04060(16) 0.85381(19) 0.21372(14) 0.0221(7) Uani 1 1 d . . .
N4 N 0.46511(16) 0.19506(19) 0.29219(14) 0.0217(7) Uani 1 1 d . . .
F1 F 0.58346(15) 0.4690(2) 0.49878(12) 0.0611(9) Uani 1 1 d . . .
F2 F 0.49252(15) 0.51249(17) 0.42111(13) 0.0524(8) Uani 1 1 d . . .
F3 F 0.49863(18) 0.38922(18) 0.44949(15) 0.0635(9) Uani 1 1 d . . .
F4 F 0.75976(14) 0.44885(18) 0.43505(15) 0.0608(9) Uani 1 1 d . . .
F5 F 0.75926(14) 0.32238(18) 0.43871(19) 0.0774(12) Uani 1 1 d . . .
F6 F 0.74830(15) 0.3839(3) 0.35416(16) 0.1201(19) Uani 1 1 d . . .
F7 F 0.27070(11) 0.42466(16) 0.18812(11) 0.0372(6) Uani 1 1 d . . .
F8 F 0.25860(12) 0.33473(15) 0.11748(12) 0.0378(6) Uani 1 1 d . . .
F9 F 0.23001(12) 0.45768(17) 0.08822(12) 0.0435(7) Uani 1 1 d . . .
F10 F 0.42951(16) 0.41044(17) 0.00092(13) 0.0546(8) Uani 1 1 d . . .
F11 F 0.46688(14) 0.52807(18) 0.03840(12) 0.0516(8) Uani 1 1 d . . .
F12 F 0.36093(14) 0.50793(17) -0.01594(11) 0.0489(7) Uani 1 1 d . . .
F13 F 0.39667(13) 0.10673(15) 0.10101(13) 0.0440(7) Uani 1 1 d . . .
F14 F 0.33163(12) 0.21028(16) 0.06736(12) 0.0440(7) Uani 1 1 d . . .
F15 F 0.38344(15) 0.16865(18) 0.01504(12) 0.0538(8) Uani 1 1 d . . .
F16 F 0.67911(16) 0.2697(3) 0.17141(17) 0.0873(12) Uani 1 1 d . . .
F17 F 0.61423(18) 0.2280(3) 0.07916(19) 0.1036(16) Uani 1 1 d . . .
F18 F 0.6250(2) 0.3528(2) 0.1000(2) 0.1147(18) Uani 1 1 d . . .
F19 F -0.25157(16) 0.6159(2) 0.1060(2) 0.126(2) Uani 1 1 d . . .
F20 F -0.24947(13) 0.74012(18) 0.08934(15) 0.0621(9) Uani 1 1 d . . .
F21 F -0.25978(16) 0.6587(2) 0.01810(15) 0.0946(14) Uani 1 1 d . . .
F22 F 0.01894(16) 0.52616(18) 0.08229(13) 0.0581(9) Uani 1 1 d . . .
F23 F -0.07041(17) 0.5648(2) -0.00134(12) 0.0648(9) Uani 1 1 d . . .
F24 F 0.01221(18) 0.6467(2) 0.04702(15) 0.0692(10) Uani 1 1 d . . .
F25 F -0.12522(17) 0.7941(3) 0.41010(19) 0.1222(18) Uani 1 1 d U . .
F26 F -0.18892(14) 0.7747(3) 0.31131(16) 0.0822(12) Uani 1 1 d . . .
F27 F -0.1442(2) 0.6773(3) 0.3719(2) 0.1039(15) Uani 1 1 d . . .
F28 F 0.10273(13) 0.92403(15) 0.41079(14) 0.0483(7) Uani 1 1 d . . .
F29 F 0.10486(14) 0.8515(2) 0.48799(12) 0.0625(9) Uani 1 1 d . . .
F30 F 0.16252(12) 0.81577(16) 0.44028(11) 0.0400(6) Uani 1 1 d . . .
F31 F 0.08149(19) 0.6441(2) 0.50219(14) 0.0699(10) Uani 1 1 d . . .
F32 F -0.00609(14) 0.5739(2) 0.44859(13) 0.0777(12) Uani 1 1 d . . .
F33 F 0.09093(17) 0.51884(19) 0.49414(14) 0.0668(10) Uani 1 1 d . . .
F34 F 0.23862(13) 0.71081(17) 0.39360(14) 0.0473(7) Uani 1 1 d . . .
F35 F 0.26089(12) 0.58614(18) 0.42257(12) 0.0477(7) Uani 1 1 d . . .
F36 F 0.23108(11) 0.62018(16) 0.32486(11) 0.0370(6) Uani 1 1 d . . .
C1 C 0.1944(2) 0.6311(3) 0.1525(2) 0.0467(13) Uani 1 1 d . . .
H1A H 0.1913 0.5954 0.1191 0.070 Uiso 1 1 calc R . .
H1B H 0.1959 0.6859 0.1400 0.070 Uiso 1 1 calc R . .
H1C H 0.1557 0.6238 0.1597 0.070 Uiso 1 1 calc R . .
C1C C 0.3545(2) 0.2518(3) 0.2719(2) 0.0386(11) Uani 1 1 d . . .
H1CA H 0.3446 0.2574 0.2277 0.058 Uiso 1 1 calc R . .
H1CB H 0.3745 0.3007 0.2947 0.058 Uiso 1 1 calc R . .
H1CC H 0.3134 0.2411 0.2745 0.058 Uiso 1 1 calc R . .
C2 C 0.3153(2) 0.6160(3) 0.2093(2) 0.0318(10) Uani 1 1 d . . .
C3 C 0.3225(2) 0.6374(2) 0.15528(19) 0.0289(9) Uani 1 1 d . . .
H3 H 0.2850 0.6509 0.1169 0.035 Uiso 1 1 calc R . .
C4 C 0.3711(2) 0.5938(3) 0.2665(2) 0.0303(9) Uani 1 1 d . . .
H4 H 0.3652 0.5780 0.3016 0.036 Uiso 1 1 calc R . .
C5 C 0.4350(2) 0.5954(2) 0.27092(19) 0.0264(9) Uani 1 1 d . . .
H5 H 0.4722 0.5804 0.3090 0.032 Uiso 1 1 calc R . .
C6 C 0.3874(2) 0.6380(2) 0.16016(18) 0.0243(8) Uani 1 1 d . . .
C7 C 0.3449(2) 0.6778(3) 0.0493(2) 0.0441(12) Uani 1 1 d . . .
H7A H 0.3614 0.6877 0.0187 0.066 Uiso 1 1 calc R . .
H7B H 0.3245 0.7260 0.0551 0.066 Uiso 1 1 calc R . .
H7C H 0.3118 0.6354 0.0338 0.066 Uiso 1 1 calc R . .
C8 C 0.44369(19) 0.6196(2) 0.21785(18) 0.0228(8) Uani 1 1 d . . .
C9 C 0.51080(18) 0.6275(2) 0.22101(17) 0.0203(8) Uani 1 1 d . . .
C10 C 0.62019(19) 0.5978(2) 0.23108(19) 0.0262(9) Uani 1 1 d . . .
C11 C 0.6376(2) 0.5369(3) 0.1923(2) 0.0410(11) Uani 1 1 d . . .
H11A H 0.6740 0.5575 0.1854 0.062 Uiso 1 1 calc R . .
H11B H 0.5986 0.5280 0.1516 0.062 Uiso 1 1 calc R . .
H11C H 0.6511 0.4870 0.2155 0.062 Uiso 1 1 calc R . .
C12 C 0.6766(2) 0.6025(3) 0.2997(2) 0.0404(11) Uani 1 1 d . . .
H12A H 0.6640 0.6397 0.3237 0.061 Uiso 1 1 calc R . .
H12B H 0.7174 0.6208 0.2995 0.061 Uiso 1 1 calc R . .
H12C H 0.6839 0.5502 0.3192 0.061 Uiso 1 1 calc R . .
C14 C 0.4036(2) 0.1822(2) 0.30196(19) 0.0265(9) Uani 1 1 d . . .
C15 C 0.4305(2) 0.1822(3) 0.3756(2) 0.0384(11) Uani 1 1 d . . .
H15A H 0.3935 0.1735 0.3854 0.058 Uiso 1 1 calc R . .
H15B H 0.4513 0.2332 0.3929 0.058 Uiso 1 1 calc R . .
H15C H 0.4632 0.1399 0.3944 0.058 Uiso 1 1 calc R . .
C16 C 0.27579(19) 0.4115(3) 0.13504(19) 0.0275(9) Uani 1 1 d . . .
C17 C 0.34856(18) 0.4246(2) 0.14440(17) 0.0212(8) Uani 1 1 d . . .
C18 C 0.35455(19) 0.4503(2) 0.09070(17) 0.0249(8) Uani 1 1 d . . .
H18 H 0.3161 0.4669 0.0542 0.030 Uiso 1 1 calc R . .
C19 C 0.41710(19) 0.4517(2) 0.09088(17) 0.0220(8) Uani 1 1 d . . .
C20 C 0.4187(2) 0.4747(3) 0.02845(19) 0.0315(10) Uani 1 1 d . . .
C21 C 0.3898(2) 0.1798(3) 0.07419(19) 0.0312(10) Uani 1 1 d . . .
C22 C 0.4503(2) 0.2338(2) 0.11675(17) 0.0247(8) Uani 1 1 d . . .
C23 C 0.5025(2) 0.2410(2) 0.10043(18) 0.0290(9) Uani 1 1 d . . .
H23 H 0.4976 0.2186 0.0622 0.035 Uiso 1 1 calc R . .
C24 C 0.5623(2) 0.2815(2) 0.14063(19) 0.0273(9) Uani 1 1 d . . .
C25 C 0.6201(2) 0.2823(3) 0.1218(2) 0.0429(12) Uani 1 1 d . . .
C26 C 0.5337(2) 0.4490(3) 0.4414(2) 0.0346(10) Uani 1 1 d . . .
C27 C 0.5582(2) 0.4248(2) 0.39219(18) 0.0261(9) Uani 1 1 d . . .
C28 C 0.6282(2) 0.4135(3) 0.41435(18) 0.0342(10) Uani 1 1 d . . .
H28 H 0.6583 0.4260 0.4567 0.041 Uiso 1 1 calc R . .
C29 C 0.6527(2) 0.3841(3) 0.37394(18) 0.0286(9) Uani 1 1 d . . .
C30 C 0.7305(2) 0.3834(3) 0.4003(2) 0.0433(13) Uani 1 1 d . . .
C1A C -0.1790(2) 0.4319(3) 0.1798(2) 0.0388(11) Uani 1 1 d . . .
H1AA H -0.1611 0.3906 0.1631 0.058 Uiso 1 1 calc R . .
H1AB H -0.1858 0.4804 0.1552 0.058 Uiso 1 1 calc R . .
H1AC H -0.2213 0.4144 0.1769 0.058 Uiso 1 1 calc R . .
C1B C -0.1545(2) 0.5146(3) 0.2784(2) 0.0378(11) Uani 1 1 d . . .
H1BA H -0.1932 0.4954 0.2821 0.057 Uiso 1 1 calc R . .
H1BB H -0.1669 0.5610 0.2509 0.057 Uiso 1 1 calc R . .
H1BC H -0.1193 0.5289 0.3201 0.057 Uiso 1 1 calc R . .
C13 C -0.12902(19) 0.4483(2) 0.24985(18) 0.0224(8) Uani 1 1 d . . .
C31 C 0.3050(2) 0.4178(3) 0.3571(2) 0.0443(12) Uani 1 1 d . . .
H31A H 0.3062 0.4533 0.3900 0.067 Uiso 1 1 calc R . .
H31B H 0.3455 0.4246 0.3527 0.067 Uiso 1 1 calc R . .
H31C H 0.3020 0.3629 0.3687 0.067 Uiso 1 1 calc R . .
C32 C 0.1847(2) 0.4330(3) 0.2949(2) 0.0304(9) Uani 1 1 d . . .
C33 C 0.1743(2) 0.4129(2) 0.34711(19) 0.0285(9) Uani 1 1 d . . .
H33 H 0.2107 0.4010 0.3867 0.034 Uiso 1 1 calc R . .
C34 C 0.1314(2) 0.4520(3) 0.2355(2) 0.0304(9) Uani 1 1 d . . .
H34 H 0.1395 0.4663 0.2014 0.037 Uiso 1 1 calc R . .
C35 C 0.0658(2) 0.4493(2) 0.22769(18) 0.0250(8) Uani 1 1 d . . .
H35 H 0.0298 0.4623 0.1881 0.030 Uiso 1 1 calc R . .
C36 C 0.1080(2) 0.4109(2) 0.33898(17) 0.0251(8) Uani 1 1 d . . .
C37 C 0.1453(2) 0.3739(3) 0.44955(19) 0.0405(11) Uani 1 1 d . . .
H37A H 0.1261 0.3576 0.4770 0.061 Uiso 1 1 calc R . .
H37B H 0.1746 0.4194 0.4682 0.061 Uiso 1 1 calc R . .
H37C H 0.1709 0.3301 0.4449 0.061 Uiso 1 1 calc R . .
C38 C 0.05315(18) 0.4272(2) 0.27905(17) 0.0216(8) Uani 1 1 d . . .
C39 C -0.01507(19) 0.4199(2) 0.27148(17) 0.0210(8) Uani 1 1 d . . .
C40 C 0.1041(2) 0.8702(2) 0.20829(19) 0.0276(9) Uani 1 1 d . . .
C41 C 0.0810(2) 0.8832(3) 0.1366(2) 0.0450(12) Uani 1 1 d . . .
H41A H 0.1195 0.8950 0.1300 0.068 Uiso 1 1 calc R . .
H41B H 0.0498 0.9276 0.1215 0.068 Uiso 1 1 calc R . .
H41C H 0.0590 0.8353 0.1134 0.068 Uiso 1 1 calc R . .
C42 C 0.1511(2) 0.7983(3) 0.2325(3) 0.0433(12) Uani 1 1 d . . .
H42A H 0.1615 0.7875 0.2763 0.065 Uiso 1 1 calc R . .
H42B H 0.1921 0.8098 0.2301 0.065 Uiso 1 1 calc R . .
H42C H 0.1294 0.7521 0.2065 0.065 Uiso 1 1 calc R . .
C46 C 0.0568(2) 0.5817(3) 0.46114(18) 0.0304(10) Uani 1 1 d . . .
C47 C 0.06545(19) 0.5980(2) 0.40068(17) 0.0235(8) Uani 1 1 d . . .
C48 C 0.13134(19) 0.6042(3) 0.40893(17) 0.0275(9) Uani 1 1 d . . .
H48 H 0.1674 0.5951 0.4494 0.033 Uiso 1 1 calc R . .
C49 C 0.14481(18) 0.6239(2) 0.35774(18) 0.0235(8) Uani 1 1 d . . .
C50 C 0.2200(2) 0.6353(3) 0.37421(19) 0.0289(9) Uani 1 1 d . . .
C51 C -0.1324(2) 0.7520(4) 0.3610(2) 0.0471(14) Uani 1 1 d . . .
C52 C -0.07236(19) 0.7561(3) 0.34618(19) 0.0288(9) Uani 1 1 d . . .
C53 C -0.0125(2) 0.7903(3) 0.39199(18) 0.0290(9) Uani 1 1 d . . .
H53 H -0.0097 0.8066 0.4311 0.035 Uiso 1 1 calc R . .
C54 C 0.04309(19) 0.8008(2) 0.38102(17) 0.0245(8) Uani 1 1 d . . .
C55 C 0.1038(2) 0.8474(3) 0.43122(19) 0.0322(10) Uani 1 1 d . . .
C56 C -0.2281(2) 0.6690(3) 0.0811(2) 0.0400(12) Uani 1 1 d . . .
C57 C -0.1505(2) 0.6649(2) 0.11071(18) 0.0266(9) Uani 1 1 d . . .
C58 C -0.1218(2) 0.6306(3) 0.07440(19) 0.0350(10) Uani 1 1 d . . .
H58 H -0.1497 0.6157 0.0320 0.042 Uiso 1 1 calc R . .
C59 C -0.0514(2) 0.6184(2) 0.10096(19) 0.0300(9) Uani 1 1 d . . .
C60 C -0.0237(3) 0.5882(3) 0.0564(2) 0.0416(12) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds 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 2.351(2) . ?
Gd1 O3 2.353(3) . ?
Gd1 O6 2.354(3) . ?
Gd1 O10 2.366(3) . ?
Gd1 O9 2.386(3) . ?
Gd1 O14 2.396(3) . ?
Gd1 O8 2.403(3) . ?
Gd1 O5 2.418(2) . ?
F1 C26 1.332(5) . ?
F2 C26 1.331(5) . ?
F3 C26 1.328(5) . ?
F4 C30 1.334(6) . ?
F5 C30 1.309(6) . ?
F6 C30 1.313(5) . ?
F7 C16 1.319(4) . ?
F8 C16 1.338(5) . ?
F9 C16 1.342(5) . ?
F10 C20 1.325(5) . ?
F11 C20 1.325(5) . ?
F12 C20 1.344(5) . ?
F13 C21 1.341(5) . ?
F14 C21 1.330(5) . ?
F15 C21 1.341(5) . ?
F16 C25 1.309(5) . ?
F17 C25 1.306(5) . ?
F18 C25 1.300(6) . ?
O1 C2 1.367(5) . ?
O1 C1 1.423(5) . ?
O2 C6 1.370(4) . ?
O2 C7 1.433(5) . ?
O3 N1 1.289(4) . ?
O5 C27 1.249(4) . ?
O6 C29 1.244(4) . ?
O7 C17 1.252(4) . ?
O8 C19 1.248(4) . ?
O9 C22 1.259(4) . ?
O10 C24 1.248(4) . ?
O14 N4 1.295(4) . ?
N1 C9 1.348(5) . ?
N1 C10 1.500(5) . ?
N4 C9 1.339(5) 2_645 ?
N4 C14 1.504(5) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C1C C14 1.520(5) . ?
C1C H1CA 0.9600 . ?
C1C H1CB 0.9600 . ?
C1C H1CC 0.9600 . ?
C2 C4 1.393(6) . ?
C2 C3 1.393(6) . ?
C3 C6 1.394(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.377(5) . ?
C4 H4 0.9300 . ?
C5 C8 1.404(5) . ?
C5 H5 0.9300 . ?
C6 C8 1.390(5) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C9 1.467(5) . ?
C9 N4 1.339(5) 2_655 ?
C10 C12 1.520(5) . ?
C10 C11 1.523(5) . ?
C10 C14 1.570(6) 2_655 ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C14 C15 1.546(5) . ?
C14 C10 1.570(6) 2_645 ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C17 1.547(5) . ?
C17 C18 1.393(5) . ?
C18 C19 1.391(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.529(5) . ?
C21 C22 1.540(6) . ?
C22 C23 1.386(5) . ?
C23 C24 1.399(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.540(6) . ?
C26 C27 1.540(6) . ?
C27 C28 1.410(5) . ?
C28 C29 1.382(5) . ?
C28 H28 0.9300 . ?
C29 C30 1.546(6) . ?
Gd2 O17 2.351(3) . ?
Gd2 O19 2.359(3) . ?
Gd2 O16 2.364(3) . ?
Gd2 O4 2.381(3) . ?
Gd2 O13 2.392(3) . ?
Gd2 O15 2.393(2) . ?
Gd2 O18 2.402(2) . ?
Gd2 O20 2.412(2) . ?
F19 C56 1.293(6) . ?
F20 C56 1.318(5) . ?
F21 C56 1.323(5) . ?
F22 C60 1.340(5) . ?
F23 C60 1.330(5) . ?
F24 C60 1.338(6) . ?
F25 C51 1.292(5) . ?
F26 C51 1.316(6) . ?
F27 C51 1.316(6) . ?
F28 C55 1.354(5) . ?
F29 C55 1.323(4) . ?
F30 C55 1.331(5) . ?
F31 C46 1.345(5) . ?
F32 C46 1.298(5) . ?
F33 C46 1.311(5) . ?
F34 C50 1.332(5) . ?
F35 C50 1.351(5) . ?
F36 C50 1.314(4) . ?
O4 N2 1.291(4) . ?
O11 C32 1.369(5) . ?
O11 C31 1.427(5) . ?
O12 C36 1.364(4) . ?
O12 C37 1.440(5) . ?
O13 N3 1.296(4) . ?
O15 C47 1.249(4) . ?
O16 C49 1.249(4) . ?
O17 C57 1.247(4) . ?
O18 C59 1.244(5) . ?
O19 C52 1.259(4) . ?
O20 C54 1.269(4) . ?
N2 C39 1.347(5) . ?
N2 C13 1.506(5) . ?
N3 C39 1.351(5) 2 ?
N3 C40 1.501(5) . ?
C1A C13 1.525(5) . ?
C1A H1AA 0.9600 . ?
C1A H1AB 0.9600 . ?
C1A H1AC 0.9600 . ?
C1B C13 1.524(5) . ?
C1B H1BA 0.9600 . ?
C1B H1BB 0.9600 . ?
C1B H1BC 0.9600 . ?
C13 C40 1.564(5) 2_545 ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 C34 1.387(6) . ?
C32 C33 1.388(6) . ?
C33 C36 1.400(5) . ?
C33 H33 0.9300 . ?
C34 C35 1.385(5) . ?
C34 H34 0.9300 . ?
C35 C38 1.406(5) . ?
C35 H35 0.9300 . ?
C36 C38 1.399(5) . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 C39 1.451(5) . ?
C39 N3 1.351(5) 2_545 ?
C40 C42 1.514(6) . ?
C40 C41 1.529(6) . ?
C40 C13 1.564(5) 2 ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C46 C47 1.540(5) . ?
C47 C48 1.392(5) . ?
C48 C49 1.403(5) . ?
C48 H48 0.9300 . ?
C49 C50 1.546(5) . ?
C51 C52 1.531(6) . ?
C52 C53 1.390(5) . ?
C53 C54 1.386(5) . ?
C53 H53 0.9300 . ?
C54 C55 1.531(5) . ?
C56 C57 1.537(6) . ?
C57 C58 1.399(6) . ?
C58 C59 1.409(6) . ?
C58 H58 0.9300 . ?
C59 C60 1.522(6) . ?

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 O3 97.90(9) . . ?
O7 Gd1 O6 153.44(9) . . ?
O3 Gd1 O6 73.13(10) . . ?
O7 Gd1 O10 135.40(9) . . ?
O3 Gd1 O10 94.65(9) . . ?
O6 Gd1 O10 71.01(9) . . ?
O7 Gd1 O9 75.93(9) . . ?
O3 Gd1 O9 149.50(9) . . ?
O6 Gd1 O9 124.21(9) . . ?
O10 Gd1 O9 71.85(9) . . ?
O7 Gd1 O14 90.27(9) . . ?
O3 Gd1 O14 136.23(9) . . ?
O6 Gd1 O14 80.56(9) . . ?
O10 Gd1 O14 109.19(9) . . ?
O9 Gd1 O14 74.16(9) . . ?
O7 Gd1 O8 72.48(9) . . ?
O3 Gd1 O8 71.33(9) . . ?
O6 Gd1 O8 124.92(9) . . ?
O10 Gd1 O8 71.49(9) . . ?
O9 Gd1 O8 78.40(9) . . ?
O14 Gd1 O8 150.47(9) . . ?
O7 Gd1 O5 80.39(9) . . ?
O3 Gd1 O5 72.81(9) . . ?
O6 Gd1 O5 73.09(9) . . ?
O10 Gd1 O5 144.03(9) . . ?
O9 Gd1 O5 133.35(9) . . ?
O14 Gd1 O5 66.31(9) . . ?
O8 Gd1 O5 130.81(9) . . ?
C2 O1 C1 118.8(3) . . ?
C6 O2 C7 118.9(3) . . ?
N1 O3 Gd1 149.7(2) . . ?
C27 O5 Gd1 132.9(2) . . ?
C29 O6 Gd1 133.6(3) . . ?
C17 O7 Gd1 133.6(2) . . ?
C19 O8 Gd1 133.5(2) . . ?
C22 O9 Gd1 132.0(3) . . ?
C24 O10 Gd1 133.4(3) . . ?
N4 O14 Gd1 136.6(2) . . ?
O3 N1 C9 124.9(3) . . ?
O3 N1 C10 120.7(3) . . ?
C9 N1 C10 113.8(3) . . ?
O14 N4 C9 124.2(3) . 2_645 ?
O14 N4 C14 121.4(3) . . ?
C9 N4 C14 114.0(3) 2_645 . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C14 C1C H1CA 109.5 . . ?
C14 C1C H1CB 109.5 . . ?
H1CA C1C H1CB 109.5 . . ?
C14 C1C H1CC 109.5 . . ?
H1CA C1C H1CC 109.5 . . ?
H1CB C1C H1CC 109.5 . . ?
O1 C2 C4 115.3(4) . . ?
O1 C2 C3 123.5(4) . . ?
C4 C2 C3 121.2(4) . . ?
C2 C3 C6 118.4(4) . . ?
C2 C3 H3 120.8 . . ?
C6 C3 H3 120.8 . . ?
C5 C4 C2 119.9(4) . . ?
C5 C4 H4 120.1 . . ?
C2 C4 H4 120.1 . . ?
C4 C5 C8 119.9(4) . . ?
C4 C5 H5 120.1 . . ?
C8 C5 H5 120.1 . . ?
O2 C6 C8 115.7(3) . . ?
O2 C6 C3 123.4(4) . . ?
C8 C6 C3 120.9(4) . . ?
O2 C7 H7A 109.5 . . ?
O2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
O2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 C5 119.6(3) . . ?
C6 C8 C9 118.0(3) . . ?
C5 C8 C9 122.3(3) . . ?
N4 C9 N1 107.4(3) 2_655 . ?
N4 C9 C8 124.8(3) 2_655 . ?
N1 C9 C8 127.7(3) . . ?
N1 C10 C12 107.4(3) . . ?
N1 C10 C11 108.4(3) . . ?
C12 C10 C11 110.7(4) . . ?
N1 C10 C14 101.2(3) . 2_655 ?
C12 C10 C14 113.7(3) . 2_655 ?
C11 C10 C14 114.6(3) . 2_655 ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N4 C14 C1C 109.4(3) . . ?
N4 C14 C15 105.1(3) . . ?
C1C C14 C15 110.1(4) . . ?
N4 C14 C10 100.0(3) . 2_645 ?
C1C C14 C10 116.2(3) . 2_645 ?
C15 C14 C10 114.9(3) . 2_645 ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
F7 C16 F8 108.1(3) . . ?
F7 C16 F9 108.3(3) . . ?
F8 C16 F9 106.8(3) . . ?
F7 C16 C17 112.5(3) . . ?
F8 C16 C17 108.0(3) . . ?
F9 C16 C17 112.8(3) . . ?
O7 C17 C18 128.8(3) . . ?
O7 C17 C16 114.6(3) . . ?
C18 C17 C16 116.4(3) . . ?
C19 C18 C17 121.0(3) . . ?
C19 C18 H18 119.5 . . ?
C17 C18 H18 119.5 . . ?
O8 C19 C18 127.9(3) . . ?
O8 C19 C20 114.2(3) . . ?
C18 C19 C20 117.8(3) . . ?
F10 C20 F11 108.0(3) . . ?
F10 C20 F12 106.0(3) . . ?
F11 C20 F12 105.7(4) . . ?
F10 C20 C19 110.8(4) . . ?
F11 C20 C19 111.9(3) . . ?
F12 C20 C19 114.0(3) . . ?
F14 C21 F15 107.2(3) . . ?
F14 C21 F13 107.1(4) . . ?
F15 C21 F13 107.2(3) . . ?
F14 C21 C22 111.6(3) . . ?
F15 C21 C22 113.2(4) . . ?
F13 C21 C22 110.2(3) . . ?
O9 C22 C23 128.0(4) . . ?
O9 C22 C21 114.1(3) . . ?
C23 C22 C21 117.7(3) . . ?
C22 C23 C24 121.0(3) . . ?
C22 C23 H23 119.5 . . ?
C24 C23 H23 119.5 . . ?
O10 C24 C23 127.7(4) . . ?
O10 C24 C25 114.1(4) . . ?
C23 C24 C25 118.2(4) . . ?
F18 C25 F17 108.3(5) . . ?
F18 C25 F16 105.2(5) . . ?
F17 C25 F16 106.0(4) . . ?
F18 C25 C24 110.7(4) . . ?
F17 C25 C24 114.3(4) . . ?
F16 C25 C24 111.8(4) . . ?
F3 C26 F2 106.8(4) . . ?
F3 C26 F1 108.1(4) . . ?
F2 C26 F1 106.2(4) . . ?
F3 C26 C27 110.3(4) . . ?
F2 C26 C27 111.2(3) . . ?
F1 C26 C27 113.9(4) . . ?
O5 C27 C28 128.0(4) . . ?
O5 C27 C26 113.8(4) . . ?
C28 C27 C26 118.2(3) . . ?
C29 C28 C27 120.8(4) . . ?
C29 C28 H28 119.6 . . ?
C27 C28 H28 119.6 . . ?
O6 C29 C28 129.5(4) . . ?
O6 C29 C30 113.7(4) . . ?
C28 C29 C30 116.9(4) . . ?
F5 C30 F6 109.5(5) . . ?
F5 C30 F4 105.2(4) . . ?
F6 C30 F4 104.5(5) . . ?
F5 C30 C29 112.6(4) . . ?
F6 C30 C29 112.3(4) . . ?
F4 C30 C29 112.3(4) . . ?
O17 Gd2 O19 71.08(9) . . ?
O17 Gd2 O16 154.77(9) . . ?
O19 Gd2 O16 134.02(8) . . ?
O17 Gd2 O4 73.13(9) . . ?
O19 Gd2 O4 95.88(9) . . ?
O16 Gd2 O4 98.00(9) . . ?
O17 Gd2 O13 81.17(9) . . ?
O19 Gd2 O13 107.43(9) . . ?
O16 Gd2 O13 90.95(9) . . ?
O4 Gd2 O13 137.30(8) . . ?
O17 Gd2 O15 123.46(9) . . ?
O19 Gd2 O15 71.11(9) . . ?
O16 Gd2 O15 72.70(9) . . ?
O4 Gd2 O15 70.70(9) . . ?
O13 Gd2 O15 150.50(9) . . ?
O17 Gd2 O18 72.92(9) . . ?
O19 Gd2 O18 143.95(9) . . ?
O16 Gd2 O18 81.88(9) . . ?
O4 Gd2 O18 71.61(9) . . ?
O13 Gd2 O18 68.49(9) . . ?
O15 Gd2 O18 130.36(9) . . ?
O17 Gd2 O20 125.72(9) . . ?
O19 Gd2 O20 71.94(9) . . ?
O16 Gd2 O20 73.69(9) . . ?
O4 Gd2 O20 148.80(8) . . ?
O13 Gd2 O20 73.69(8) . . ?
O15 Gd2 O20 78.14(9) . . ?
O18 Gd2 O20 134.16(9) . . ?
N2 O4 Gd2 144.3(2) . . ?
C32 O11 C31 118.2(3) . . ?
C36 O12 C37 118.5(3) . . ?
N3 O13 Gd2 135.4(2) . . ?
C47 O15 Gd2 131.1(2) . . ?
C49 O16 Gd2 131.5(2) . . ?
C57 O17 Gd2 134.2(3) . . ?
C59 O18 Gd2 133.7(3) . . ?
C52 O19 Gd2 132.1(2) . . ?
C54 O20 Gd2 130.9(2) . . ?
O4 N2 C39 124.6(3) . . ?
O4 N2 C13 120.9(3) . . ?
C39 N2 C13 113.9(3) . . ?
O13 N3 C39 124.7(3) . 2 ?
O13 N3 C40 121.2(3) . . ?
C39 N3 C40 113.5(3) 2 . ?
C13 C1A H1AA 109.5 . . ?
C13 C1A H1AB 109.5 . . ?
H1AA C1A H1AB 109.5 . . ?
C13 C1A H1AC 109.5 . . ?
H1AA C1A H1AC 109.5 . . ?
H1AB C1A H1AC 109.5 . . ?
C13 C1B H1BA 109.5 . . ?
C13 C1B H1BB 109.5 . . ?
H1BA C1B H1BB 109.5 . . ?
C13 C1B H1BC 109.5 . . ?
H1BA C1B H1BC 109.5 . . ?
H1BB C1B H1BC 109.5 . . ?
N2 C13 C1B 108.4(3) . . ?
N2 C13 C1A 107.1(3) . . ?
C1B C13 C1A 111.6(3) . . ?
N2 C13 C40 100.5(3) . 2_545 ?
C1B C13 C40 114.7(3) . 2_545 ?
C1A C13 C40 113.6(3) . 2_545 ?
O11 C31 H31A 109.5 . . ?
O11 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
O11 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O11 C32 C34 114.8(4) . . ?
O11 C32 C33 123.4(4) . . ?
C34 C32 C33 121.7(4) . . ?
C32 C33 C36 118.7(4) . . ?
C32 C33 H33 120.6 . . ?
C36 C33 H33 120.6 . . ?
C35 C34 C32 119.3(4) . . ?
C35 C34 H34 120.4 . . ?
C32 C34 H34 120.4 . . ?
C34 C35 C38 120.6(4) . . ?
C34 C35 H35 119.7 . . ?
C38 C35 H35 119.7 . . ?
O12 C36 C38 115.4(3) . . ?
O12 C36 C33 123.9(4) . . ?
C38 C36 C33 120.6(3) . . ?
O12 C37 H37A 109.5 . . ?
O12 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
O12 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 C35 119.0(3) . . ?
C36 C38 C39 119.1(3) . . ?
C35 C38 C39 121.9(3) . . ?
N2 C39 N3 106.7(3) . 2_545 ?
N2 C39 C38 128.0(3) . . ?
N3 C39 C38 125.3(3) 2_545 . ?
N3 C40 C42 109.8(3) . . ?
N3 C40 C41 105.4(3) . . ?
C42 C40 C41 110.4(4) . . ?
N3 C40 C13 99.9(3) . 2 ?
C42 C40 C13 115.7(4) . 2 ?
C41 C40 C13 114.5(4) . 2 ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
F32 C46 F33 109.0(4) . . ?
F32 C46 F31 106.3(4) . . ?
F33 C46 F31 104.7(3) . . ?
F32 C46 C47 112.8(3) . . ?
F33 C46 C47 113.5(3) . . ?
F31 C46 C47 110.0(3) . . ?
O15 C47 C48 127.6(3) . . ?
O15 C47 C46 115.2(3) . . ?
C48 C47 C46 117.1(3) . . ?
C47 C48 C49 121.7(3) . . ?
C47 C48 H48 119.2 . . ?
C49 C48 H48 119.2 . . ?
O16 C49 C48 128.1(3) . . ?
O16 C49 C50 115.1(3) . . ?
C48 C49 C50 116.6(3) . . ?
F36 C50 F34 108.9(3) . . ?
F36 C50 F35 107.3(3) . . ?
F34 C50 F35 107.3(3) . . ?
F36 C50 C49 112.2(3) . . ?
F34 C50 C49 109.3(3) . . ?
F35 C50 C49 111.7(3) . . ?
F25 C51 F27 106.9(5) . . ?
F25 C51 F26 108.1(4) . . ?
F27 C51 F26 104.3(4) . . ?
F25 C51 C52 114.6(4) . . ?
F27 C51 C52 111.1(4) . . ?
F26 C51 C52 111.4(4) . . ?
O19 C52 C53 127.9(4) . . ?
O19 C52 C51 114.1(3) . . ?
C53 C52 C51 118.0(3) . . ?
C54 C53 C52 121.8(3) . . ?
C54 C53 H53 119.1 . . ?
C52 C53 H53 119.1 . . ?
O20 C54 C53 127.2(4) . . ?
O20 C54 C55 114.9(3) . . ?
C53 C54 C55 117.9(3) . . ?
F29 C55 F30 107.4(4) . . ?
F29 C55 F28 107.3(4) . . ?
F30 C55 F28 106.5(3) . . ?
F29 C55 C54 113.5(3) . . ?
F30 C55 C54 112.2(3) . . ?
F28 C55 C54 109.6(3) . . ?
F19 C56 F20 107.2(5) . . ?
F19 C56 F21 107.2(4) . . ?
F20 C56 F21 103.7(4) . . ?
F19 C56 C57 111.7(4) . . ?
F20 C56 C57 112.4(4) . . ?
F21 C56 C57 114.1(4) . . ?
O17 C57 C58 128.3(4) . . ?
O17 C57 C56 113.2(4) . . ?
C58 C57 C56 118.5(4) . . ?
C57 C58 C59 121.1(4) . . ?
C57 C58 H58 119.5 . . ?
C59 C58 H58 119.5 . . ?
O18 C59 C58 127.9(4) . . ?
O18 C59 C60 114.5(4) . . ?
C58 C59 C60 117.7(4) . . ?
F23 C60 F24 106.8(4) . . ?
F23 C60 F22 107.2(4) . . ?
F24 C60 F22 106.2(4) . . ?
F23 C60 C59 114.9(4) . . ?
F24 C60 C59 109.7(4) . . ?
F22 C60 C59 111.6(3) . . ?

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
O7 Gd1 O3 N1 -56.2(5) . . . . ?
O6 Gd1 O3 N1 149.5(5) . . . . ?
O10 Gd1 O3 N1 80.9(5) . . . . ?
O9 Gd1 O3 N1 19.5(6) . . . . ?
O14 Gd1 O3 N1 -154.9(4) . . . . ?
O8 Gd1 O3 N1 12.3(4) . . . . ?
O5 Gd1 O3 N1 -133.5(5) . . . . ?
O7 Gd1 O5 C27 -178.5(3) . . . . ?
O3 Gd1 O5 C27 -77.0(3) . . . . ?
O6 Gd1 O5 C27 0.1(3) . . . . ?
O10 Gd1 O5 C27 -3.4(4) . . . . ?
O9 Gd1 O5 C27 121.5(3) . . . . ?
O14 Gd1 O5 C27 87.0(3) . . . . ?
O8 Gd1 O5 C27 -121.8(3) . . . . ?
O7 Gd1 O6 C29 -9.8(5) . . . . ?
O3 Gd1 O6 C29 63.6(4) . . . . ?
O10 Gd1 O6 C29 164.8(4) . . . . ?
O9 Gd1 O6 C29 -144.5(3) . . . . ?
O14 Gd1 O6 C29 -81.1(4) . . . . ?
O8 Gd1 O6 C29 115.3(4) . . . . ?
O5 Gd1 O6 C29 -13.1(3) . . . . ?
O3 Gd1 O7 C17 85.1(3) . . . . ?
O6 Gd1 O7 C17 152.9(3) . . . . ?
O10 Gd1 O7 C17 -19.8(4) . . . . ?
O9 Gd1 O7 C17 -64.5(3) . . . . ?
O14 Gd1 O7 C17 -138.1(3) . . . . ?
O8 Gd1 O7 C17 17.6(3) . . . . ?
O5 Gd1 O7 C17 156.0(3) . . . . ?
O7 Gd1 O8 C19 -13.5(3) . . . . ?
O3 Gd1 O8 C19 -118.5(4) . . . . ?
O6 Gd1 O8 C19 -171.0(3) . . . . ?
O10 Gd1 O8 C19 139.8(4) . . . . ?
O9 Gd1 O8 C19 65.2(3) . . . . ?
O14 Gd1 O8 C19 43.3(4) . . . . ?
O5 Gd1 O8 C19 -73.3(4) . . . . ?
O7 Gd1 O9 C22 124.5(3) . . . . ?
O3 Gd1 O9 C22 43.0(4) . . . . ?
O6 Gd1 O9 C22 -74.6(3) . . . . ?
O10 Gd1 O9 C22 -24.2(3) . . . . ?
O14 Gd1 O9 C22 -141.1(3) . . . . ?
O8 Gd1 O9 C22 49.9(3) . . . . ?
O5 Gd1 O9 C22 -173.7(3) . . . . ?
O7 Gd1 O10 C24 -22.3(4) . . . . ?
O3 Gd1 O10 C24 -128.5(4) . . . . ?
O6 Gd1 O10 C24 161.1(4) . . . . ?
O9 Gd1 O10 C24 23.5(3) . . . . ?
O14 Gd1 O10 C24 88.8(4) . . . . ?
O8 Gd1 O10 C24 -60.0(3) . . . . ?
O5 Gd1 O10 C24 164.6(3) . . . . ?
O7 Gd1 O14 N4 72.4(3) . . . . ?
O3 Gd1 O14 N4 174.2(3) . . . . ?
O6 Gd1 O14 N4 -132.6(3) . . . . ?
O10 Gd1 O14 N4 -66.6(3) . . . . ?
O9 Gd1 O14 N4 -2.8(3) . . . . ?
O8 Gd1 O14 N4 19.5(4) . . . . ?
O5 Gd1 O14 N4 151.8(3) . . . . ?
Gd1 O3 N1 C9 74.6(6) . . . . ?
Gd1 O3 N1 C10 -115.1(4) . . . . ?
Gd1 O14 N4 C9 76.1(5) . . . 2_645 ?
Gd1 O14 N4 C14 -110.8(3) . . . . ?
C1 O1 C2 C4 -176.5(4) . . . . ?
C1 O1 C2 C3 2.2(6) . . . . ?
O1 C2 C3 C6 179.7(4) . . . . ?
C4 C2 C3 C6 -1.6(6) . . . . ?
O1 C2 C4 C5 -179.0(4) . . . . ?
C3 C2 C4 C5 2.2(6) . . . . ?
C2 C4 C5 C8 0.2(6) . . . . ?
C7 O2 C6 C8 -176.9(4) . . . . ?
C7 O2 C6 C3 4.8(6) . . . . ?
C2 C3 C6 O2 176.8(4) . . . . ?
C2 C3 C6 C8 -1.4(6) . . . . ?
O2 C6 C8 C5 -174.6(3) . . . . ?
C3 C6 C8 C5 3.8(6) . . . . ?
O2 C6 C8 C9 6.3(5) . . . . ?
C3 C6 C8 C9 -175.4(4) . . . . ?
C4 C5 C8 C6 -3.1(6) . . . . ?
C4 C5 C8 C9 175.9(4) . . . . ?
O3 N1 C9 N4 172.1(3) . . . 2_655 ?
C10 N1 C9 N4 1.3(4) . . . 2_655 ?
O3 N1 C9 C8 -11.1(6) . . . . ?
C10 N1 C9 C8 178.0(3) . . . . ?
C6 C8 C9 N4 56.5(5) . . . 2_655 ?
C5 C8 C9 N4 -122.5(4) . . . 2_655 ?
C6 C8 C9 N1 -119.7(4) . . . . ?
C5 C8 C9 N1 61.2(6) . . . . ?
O3 N1 C10 C12 -64.2(4) . . . . ?
C9 N1 C10 C12 107.0(4) . . . . ?
O3 N1 C10 C11 55.4(5) . . . . ?
C9 N1 C10 C11 -133.3(4) . . . . ?
O3 N1 C10 C14 176.3(3) . . . 2_655 ?
C9 N1 C10 C14 -12.4(4) . . . 2_655 ?
O14 N4 C14 C1C 45.0(5) . . . . ?
C9 N4 C14 C1C -141.2(3) 2_645 . . . ?
O14 N4 C14 C15 -73.2(4) . . . . ?
C9 N4 C14 C15 100.6(4) 2_645 . . . ?
O14 N4 C14 C10 167.5(3) . . . 2_645 ?
C9 N4 C14 C10 -18.7(4) 2_645 . . 2_645 ?
Gd1 O7 C17 C18 -18.6(6) . . . . ?
Gd1 O7 C17 C16 156.5(2) . . . . ?
F7 C16 C17 O7 34.2(5) . . . . ?
F8 C16 C17 O7 -85.1(4) . . . . ?
F9 C16 C17 O7 157.0(3) . . . . ?
F7 C16 C17 C18 -150.1(4) . . . . ?
F8 C16 C17 C18 90.6(4) . . . . ?
F9 C16 C17 C18 -27.3(5) . . . . ?
O7 C17 C18 C19 5.3(6) . . . . ?
C16 C17 C18 C19 -169.7(4) . . . . ?
Gd1 O8 C19 C18 9.8(6) . . . . ?
Gd1 O8 C19 C20 -166.8(2) . . . . ?
C17 C18 C19 O8 -0.9(6) . . . . ?
C17 C18 C19 C20 175.5(4) . . . . ?
O8 C19 C20 F10 71.1(4) . . . . ?
C18 C19 C20 F10 -105.9(4) . . . . ?
O8 C19 C20 F11 -49.5(5) . . . . ?
C18 C19 C20 F11 133.5(4) . . . . ?
O8 C19 C20 F12 -169.4(3) . . . . ?
C18 C19 C20 F12 13.6(5) . . . . ?
Gd1 O9 C22 C23 18.7(6) . . . . ?
Gd1 O9 C22 C21 -165.9(2) . . . . ?
F14 C21 C22 O9 41.1(5) . . . . ?
F15 C21 C22 O9 162.2(4) . . . . ?
F13 C21 C22 O9 -77.7(4) . . . . ?
F14 C21 C22 C23 -143.0(4) . . . . ?
F15 C21 C22 C23 -21.9(5) . . . . ?
F13 C21 C22 C23 98.2(4) . . . . ?
O9 C22 C23 C24 2.5(7) . . . . ?
C21 C22 C23 C24 -172.7(4) . . . . ?
Gd1 O10 C24 C23 -16.8(6) . . . . ?
Gd1 O10 C24 C25 163.4(3) . . . . ?
C22 C23 C24 O10 -3.8(7) . . . . ?
C22 C23 C24 C25 176.0(4) . . . . ?
O10 C24 C25 F18 -74.3(5) . . . . ?
C23 C24 C25 F18 105.9(5) . . . . ?
O10 C24 C25 F17 163.0(4) . . . . ?
C23 C24 C25 F17 -16.8(6) . . . . ?
O10 C24 C25 F16 42.6(6) . . . . ?
C23 C24 C25 F16 -137.2(4) . . . . ?
Gd1 O5 C27 C28 8.0(6) . . . . ?
Gd1 O5 C27 C26 -172.1(2) . . . . ?
F3 C26 C27 O5 68.2(5) . . . . ?
F2 C26 C27 O5 -50.0(5) . . . . ?
F1 C26 C27 O5 -170.0(4) . . . . ?
F3 C26 C27 C28 -111.8(5) . . . . ?
F2 C26 C27 C28 129.9(4) . . . . ?
F1 C26 C27 C28 9.9(6) . . . . ?
O5 C27 C28 C29 -6.5(7) . . . . ?
C26 C27 C28 C29 173.6(4) . . . . ?
Gd1 O6 C29 C28 19.6(7) . . . . ?
Gd1 O6 C29 C30 -161.1(3) . . . . ?
C27 C28 C29 O6 -7.7(8) . . . . ?
C27 C28 C29 C30 173.1(4) . . . . ?
O6 C29 C30 F5 -99.9(5) . . . . ?
C28 C29 C30 F5 79.5(6) . . . . ?
O6 C29 C30 F6 24.2(7) . . . . ?
C28 C29 C30 F6 -156.4(5) . . . . ?
O6 C29 C30 F4 141.6(4) . . . . ?
C28 C29 C30 F4 -39.0(6) . . . . ?
O17 Gd2 O4 N2 -144.7(4) . . . . ?
O19 Gd2 O4 N2 -76.5(4) . . . . ?
O16 Gd2 O4 N2 59.6(4) . . . . ?
O13 Gd2 O4 N2 159.8(3) . . . . ?
O15 Gd2 O4 N2 -8.9(4) . . . . ?
O18 Gd2 O4 N2 138.2(4) . . . . ?
O20 Gd2 O4 N2 -12.1(5) . . . . ?
O17 Gd2 O13 N3 131.9(3) . . . . ?
O19 Gd2 O13 N3 65.0(3) . . . . ?
O16 Gd2 O13 N3 -72.2(3) . . . . ?
O4 Gd2 O13 N3 -175.1(3) . . . . ?
O15 Gd2 O13 N3 -17.3(4) . . . . ?
O18 Gd2 O13 N3 -153.1(3) . . . . ?
O20 Gd2 O13 N3 0.5(3) . . . . ?
O17 Gd2 O15 C47 -175.0(3) . . . . ?
O19 Gd2 O15 C47 -124.6(3) . . . . ?
O16 Gd2 O15 C47 26.6(3) . . . . ?
O4 Gd2 O15 C47 131.8(3) . . . . ?
O13 Gd2 O15 C47 -32.4(4) . . . . ?
O18 Gd2 O15 C47 89.3(3) . . . . ?
O20 Gd2 O15 C47 -49.8(3) . . . . ?
O17 Gd2 O16 C49 -159.8(3) . . . . ?
O19 Gd2 O16 C49 13.5(4) . . . . ?
O4 Gd2 O16 C49 -92.7(3) . . . . ?
O13 Gd2 O16 C49 129.1(3) . . . . ?
O15 Gd2 O16 C49 -25.9(3) . . . . ?
O18 Gd2 O16 C49 -162.8(3) . . . . ?
O20 Gd2 O16 C49 56.4(3) . . . . ?
O19 Gd2 O17 C57 -162.9(4) . . . . ?
O16 Gd2 O17 C57 12.0(5) . . . . ?
O4 Gd2 O17 C57 -60.4(3) . . . . ?
O13 Gd2 O17 C57 85.2(4) . . . . ?
O15 Gd2 O17 C57 -112.5(3) . . . . ?
O18 Gd2 O17 C57 15.1(3) . . . . ?
O20 Gd2 O17 C57 147.7(3) . . . . ?
O17 Gd2 O18 C59 -7.1(3) . . . . ?
O19 Gd2 O18 C59 -3.9(4) . . . . ?
O16 Gd2 O18 C59 171.6(4) . . . . ?
O4 Gd2 O18 C59 70.3(3) . . . . ?
O13 Gd2 O18 C59 -94.2(4) . . . . ?
O15 Gd2 O18 C59 112.6(3) . . . . ?
O20 Gd2 O18 C59 -130.7(3) . . . . ?
O17 Gd2 O19 C52 -167.5(4) . . . . ?
O16 Gd2 O19 C52 15.5(4) . . . . ?
O4 Gd2 O19 C52 122.6(4) . . . . ?
O13 Gd2 O19 C52 -93.6(4) . . . . ?
O15 Gd2 O19 C52 55.3(4) . . . . ?
O18 Gd2 O19 C52 -170.8(3) . . . . ?
O20 Gd2 O19 C52 -28.0(4) . . . . ?
O17 Gd2 O20 C54 76.0(3) . . . . ?
O19 Gd2 O20 C54 26.8(3) . . . . ?
O16 Gd2 O20 C54 -122.1(3) . . . . ?
O4 Gd2 O20 C54 -43.9(4) . . . . ?
O13 Gd2 O20 C54 141.9(3) . . . . ?
O15 Gd2 O20 C54 -46.9(3) . . . . ?
O18 Gd2 O20 C54 177.2(3) . . . . ?
Gd2 O4 N2 C39 -76.1(5) . . . . ?
Gd2 O4 N2 C13 112.9(4) . . . . ?
Gd2 O13 N3 C39 -74.9(5) . . . 2 ?
Gd2 O13 N3 C40 114.4(3) . . . . ?
O4 N2 C13 C1B -52.2(4) . . . . ?
C39 N2 C13 C1B 135.9(3) . . . . ?
O4 N2 C13 C1A 68.3(4) . . . . ?
C39 N2 C13 C1A -103.6(4) . . . . ?
O4 N2 C13 C40 -172.8(3) . . . 2_545 ?
C39 N2 C13 C40 15.3(4) . . . 2_545 ?
C31 O11 C32 C34 179.9(4) . . . . ?
C31 O11 C32 C33 0.4(6) . . . . ?
O11 C32 C33 C36 -179.8(4) . . . . ?
C34 C32 C33 C36 0.8(6) . . . . ?
O11 C32 C34 C35 179.2(4) . . . . ?
C33 C32 C34 C35 -1.3(6) . . . . ?
C32 C34 C35 C38 -0.4(6) . . . . ?
C37 O12 C36 C38 176.3(4) . . . . ?
C37 O12 C36 C33 -5.6(6) . . . . ?
C32 C33 C36 O12 -176.7(4) . . . . ?
C32 C33 C36 C38 1.3(6) . . . . ?
O12 C36 C38 C35 175.2(3) . . . . ?
C33 C36 C38 C35 -3.0(6) . . . . ?
O12 C36 C38 C39 -5.5(5) . . . . ?
C33 C36 C38 C39 176.3(4) . . . . ?
C34 C35 C38 C36 2.5(6) . . . . ?
C34 C35 C38 C39 -176.8(4) . . . . ?
O4 N2 C39 N3 -173.2(3) . . . 2_545 ?
C13 N2 C39 N3 -1.7(4) . . . 2_545 ?
O4 N2 C39 C38 9.1(6) . . . . ?
C13 N2 C39 C38 -179.3(3) . . . . ?
C36 C38 C39 N2 123.3(4) . . . . ?
C35 C38 C39 N2 -57.4(5) . . . . ?
C36 C38 C39 N3 -54.0(5) . . . 2_545 ?
C35 C38 C39 N3 125.3(4) . . . 2_545 ?
O13 N3 C40 C42 -43.3(5) . . . . ?
C39 N3 C40 C42 145.0(3) 2 . . . ?
O13 N3 C40 C41 75.6(4) . . . . ?
C39 N3 C40 C41 -96.1(4) 2 . . . ?
O13 N3 C40 C13 -165.3(3) . . . 2 ?
C39 N3 C40 C13 23.0(4) 2 . . 2 ?
Gd2 O15 C47 C48 -22.2(6) . . . . ?
Gd2 O15 C47 C46 155.2(3) . . . . ?
F32 C46 C47 O15 4.7(6) . . . . ?
F33 C46 C47 O15 129.3(4) . . . . ?
F31 C46 C47 O15 -113.8(4) . . . . ?
F32 C46 C47 C48 -177.6(4) . . . . ?
F33 C46 C47 C48 -53.0(5) . . . . ?
F31 C46 C47 C48 63.9(5) . . . . ?
O15 C47 C48 C49 1.3(7) . . . . ?
C46 C47 C48 C49 -176.0(4) . . . . ?
Gd2 O16 C49 C48 21.0(6) . . . . ?
Gd2 O16 C49 C50 -155.1(3) . . . . ?
C47 C48 C49 O16 -0.5(7) . . . . ?
C47 C48 C49 C50 175.5(4) . . . . ?
O16 C49 C50 F36 -29.9(5) . . . . ?
C48 C49 C50 F36 153.5(4) . . . . ?
O16 C49 C50 F34 91.0(4) . . . . ?
C48 C49 C50 F34 -85.5(4) . . . . ?
O16 C49 C50 F35 -150.4(3) . . . . ?
C48 C49 C50 F35 33.0(5) . . . . ?
Gd2 O19 C52 C53 20.8(7) . . . . ?
Gd2 O19 C52 C51 -158.4(3) . . . . ?
F25 C51 C52 O19 -168.7(5) . . . . ?
F27 C51 C52 O19 70.1(6) . . . . ?
F26 C51 C52 O19 -45.7(6) . . . . ?
F25 C51 C52 C53 11.9(7) . . . . ?
F27 C51 C52 C53 -109.2(5) . . . . ?
F26 C51 C52 C53 135.0(4) . . . . ?
O19 C52 C53 C54 4.6(7) . . . . ?
C51 C52 C53 C54 -176.1(4) . . . . ?
Gd2 O20 C54 C53 -18.6(6) . . . . ?
Gd2 O20 C54 C55 162.7(3) . . . . ?
C52 C53 C54 O20 -5.3(7) . . . . ?
C52 C53 C54 C55 173.4(4) . . . . ?
O20 C54 C55 F29 -161.9(4) . . . . ?
C53 C54 C55 F29 19.3(6) . . . . ?
O20 C54 C55 F30 -39.9(5) . . . . ?
C53 C54 C55 F30 141.3(4) . . . . ?
O20 C54 C55 F28 78.1(4) . . . . ?
C53 C54 C55 F28 -100.7(4) . . . . ?
Gd2 O17 C57 C58 -16.9(6) . . . . ?
Gd2 O17 C57 C56 160.7(3) . . . . ?
F19 C56 C57 O17 -72.6(5) . . . . ?
F20 C56 C57 O17 47.9(5) . . . . ?
F21 C56 C57 O17 165.6(4) . . . . ?
F19 C56 C57 C58 105.2(5) . . . . ?
F20 C56 C57 C58 -134.3(4) . . . . ?
F21 C56 C57 C58 -16.6(6) . . . . ?
O17 C57 C58 C59 3.3(7) . . . . ?
C56 C57 C58 C59 -174.1(4) . . . . ?
Gd2 O18 C59 C58 0.4(7) . . . . ?
Gd2 O18 C59 C60 179.7(3) . . . . ?
C57 C58 C59 O18 4.9(7) . . . . ?
C57 C58 C59 C60 -174.4(4) . . . . ?
O18 C59 C60 F23 170.9(4) . . . . ?
C58 C59 C60 F23 -9.7(6) . . . . ?
O18 C59 C60 F24 -68.7(5) . . . . ?
C58 C59 C60 F24 110.6(5) . . . . ?
O18 C59 C60 F22 48.6(6) . . . . ?
C58 C59 C60 F22 -132.0(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        27.87
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         1.516
_refine_diff_density_min         -1.284
_refine_diff_density_rms         0.128
