# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C
# This journal is © The Royal Society of Chemistry 2013

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#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
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#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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data_3.4EtOH.6H2O

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C120 H168 Cl4 N8 O28 Yb4'
_chemical_formula_weight         3004.58

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -7.2108 4.4329 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   14.70010(10)
_cell_length_b                   23.6787(2)
_cell_length_c                   20.2012(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 102.1750(10)
_cell_angle_gamma                90.00
_cell_volume                     6873.46(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3032
_exptl_absorpt_coefficient_mu    6.103
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  Bruker
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            41855
_diffrn_reflns_av_R_equivalents  0.0565
_diffrn_reflns_av_sigmaI/netI    0.0477
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.91
_diffrn_reflns_theta_max         62.52
_reflns_number_total             10906
_reflns_number_gt                9919
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F^2^, conventional R-factors R are based 
 on F, with F set to zero for negative F^2^. The threshold expression of 
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ 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/[\s^2^(Fo^2^)+(0.0783P)^2^+32.4390P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.000087(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_number_reflns         10906
_refine_ls_number_parameters     740
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0558
_refine_ls_R_factor_gt           0.0514
_refine_ls_wR_factor_ref         0.1438
_refine_ls_wR_factor_gt          0.1394
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_restrained_S_all      1.071
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Yb2 Yb 0.646900(19) 0.924030(12) 0.452250(15) 0.02142(12) Uani 1 1 d . . .
Yb1 Yb 0.485880(19) 0.938100(12) 0.552300(15) 0.02108(12) Uani 1 1 d . . .
N1 N 0.4738(4) 0.8554(2) 0.6216(3) 0.0293(11) Uani 1 1 d . . .
N2 N 0.3451(3) 0.8868(2) 0.5155(3) 0.0273(11) Uani 1 1 d . . .
N3 N 0.8009(4) 1.0056(2) 0.2715(3) 0.0334(12) Uani 1 1 d . . .
N4 N 0.8742(4) 0.9005(2) 0.3274(3) 0.0341(12) Uani 1 1 d . . .
H4A H 0.8352 0.9147 0.3491 0.041 Uiso 1 1 calc R . .
O1 O 0.7847(3) 0.87031(19) 0.5384(2) 0.0314(10) Uani 1 1 d . . .
O2 O 0.6166(3) 0.88789(17) 0.5527(2) 0.0247(9) Uani 1 1 d . . .
O3 O 0.4926(3) 0.90683(17) 0.4459(2) 0.0233(8) Uani 1 1 d . . .
O4 O 0.5467(3) 0.89657(18) 0.3316(2) 0.0272(9) Uani 1 1 d . . .
O5 O 0.4244(3) 1.03203(18) 0.3370(2) 0.0278(9) Uani 1 1 d . . .
O6 O 0.5959(3) 1.00635(16) 0.38672(19) 0.0218(8) Uani 1 1 d . . .
O7 O 0.7397(3) 0.88520(18) 0.3921(2) 0.0277(9) Uani 1 1 d . . .
O8 O 0.6308(3) 0.81680(17) 0.4407(2) 0.0287(9) Uani 1 1 d . . .
O9 O 0.5927(3) 0.99377(16) 0.5161(2) 0.0213(8) Uani 1 1 d . . .
H9A H 0.6345 1.0067 0.5481 0.026 Uiso 1 1 d R . .
O10 O 0.2133(17) 1.0795(11) 0.1453(18) 0.37(2) Uani 1 1 d . . .
H10B H 0.2592 1.0994 0.1399 0.440 Uiso 1 1 d R . .
O13 O 1.012(2) 0.9483(11) 0.4835(15) 0.352(17) Uani 1 1 d . . .
H13C H 1.0217 0.9162 0.4677 0.423 Uiso 1 1 d R . .
H13D H 1.0569 0.9707 0.4975 0.423 Uiso 1 1 d R . .
O14 O 0.752(2) 0.8032(11) 0.9210(12) 0.473(9) Uani 1 1 d . . .
H14C H 0.7960 0.7872 0.9484 0.568 Uiso 1 1 d R . .
H14D H 0.7055 0.8162 0.9352 0.568 Uiso 1 1 d R . .
O15 O 0.9765(11) 0.8348(9) 0.1270(15) 0.322(16) Uani 1 1 d D . .
H15D H 1.0280 0.8365 0.1143 0.387 Uiso 1 1 d R . .
O16 O 0.0252(12) 0.732(2) 0.5029(18) 0.80(6) Uani 1 1 d . . .
H16C H -0.0063 0.7154 0.4686 0.959 Uiso 1 1 d R . .
H16D H 0.0094 0.7300 0.5409 0.959 Uiso 1 1 d R . .
C1 C 0.8793(4) 0.8635(3) 0.5305(4) 0.0386(16) Uani 1 1 d . . .
H1A H 0.9140 0.8426 0.5683 0.058 Uiso 1 1 calc R . .
H1B H 0.9072 0.8999 0.5287 0.058 Uiso 1 1 calc R . .
H1C H 0.8797 0.8433 0.4893 0.058 Uiso 1 1 calc R . .
C2 C 0.7639(4) 0.8497(3) 0.5973(3) 0.0291(13) Uani 1 1 d . . .
C3 C 0.8267(5) 0.8244(3) 0.6490(4) 0.0356(15) Uani 1 1 d . . .
H3B H 0.8888 0.8211 0.6462 0.043 Uiso 1 1 calc R . .
C4 C 0.7974(5) 0.8037(3) 0.7058(4) 0.0404(17) Uani 1 1 d . . .
C5 C 0.8685(5) 0.7769(4) 0.7630(5) 0.060(2) Uani 1 1 d . . .
H5A H 0.8384 0.7695 0.8005 0.072 Uiso 1 1 calc R . .
H5B H 0.8868 0.7407 0.7474 0.072 Uiso 1 1 calc R . .
C6 C 0.9468(9) 0.8075(8) 0.7867(8) 0.156(9) Uani 1 1 d D . .
H6A H 0.9368 0.8396 0.8108 0.187 Uiso 1 1 calc R . .
C7 C 1.0318(7) 0.8006(8) 0.7821(8) 0.158(10) Uani 1 1 d D . .
H7A H 1.0485 0.7697 0.7589 0.237 Uiso 1 1 calc R . .
H7B H 1.0768 0.8266 0.8020 0.237 Uiso 1 1 calc R . .
C8 C 0.7047(5) 0.8060(3) 0.7080(4) 0.0368(15) Uani 1 1 d . . .
H8A H 0.6844 0.7895 0.7440 0.044 Uiso 1 1 calc R . .
C9 C 0.6391(4) 0.8334(3) 0.6558(3) 0.0306(14) Uani 1 1 d . . .
C10 C 0.6707(4) 0.8582(2) 0.6012(3) 0.0244(12) Uani 1 1 d . . .
C11 C 0.5407(4) 0.8278(3) 0.6568(3) 0.0310(14) Uani 1 1 d . . .
H11A H 0.5253 0.8011 0.6864 0.037 Uiso 1 1 calc R . .
C12 C 0.3779(4) 0.8335(3) 0.6189(4) 0.0342(15) Uani 1 1 d . . .
H12A H 0.3730 0.7969 0.5956 0.041 Uiso 1 1 calc R . .
C13 C 0.3522(5) 0.8240(3) 0.6872(4) 0.0459(18) Uani 1 1 d . . .
H13A H 0.3573 0.8593 0.7120 0.055 Uiso 1 1 calc R . .
H13B H 0.3952 0.7972 0.7134 0.055 Uiso 1 1 calc R . .
C14 C 0.2530(6) 0.8014(4) 0.6775(5) 0.052(2) Uani 1 1 d . . .
H14A H 0.2502 0.7639 0.6578 0.063 Uiso 1 1 calc R . .
H14B H 0.2363 0.7982 0.7214 0.063 Uiso 1 1 calc R . .
C15 C 0.1840(5) 0.8390(3) 0.6326(5) 0.049(2) Uani 1 1 d . . .
H15A H 0.1810 0.8749 0.6551 0.059 Uiso 1 1 calc R . .
H15B H 0.1228 0.8218 0.6254 0.059 Uiso 1 1 calc R . .
C16 C 0.2098(5) 0.8491(3) 0.5643(4) 0.0397(16) Uani 1 1 d . . .
H16A H 0.2069 0.8138 0.5396 0.048 Uiso 1 1 calc R . .
H16B H 0.1661 0.8752 0.5377 0.048 Uiso 1 1 calc R . .
C17 C 0.3079(4) 0.8733(3) 0.5756(4) 0.0319(14) Uani 1 1 d . . .
H17A H 0.3080 0.9084 0.6013 0.038 Uiso 1 1 calc R . .
C18 C 0.2999(4) 0.8738(3) 0.4558(3) 0.0308(14) Uani 1 1 d . . .
H18A H 0.2407 0.8586 0.4520 0.037 Uiso 1 1 calc R . .
C19 C 0.3343(4) 0.8810(3) 0.3933(3) 0.0280(13) Uani 1 1 d . . .
C20 C 0.4276(4) 0.8938(2) 0.3913(3) 0.0255(13) Uani 1 1 d . . .
C21 C 0.4528(4) 0.8897(3) 0.3280(3) 0.0267(13) Uani 1 1 d . . .
C22 C 0.3883(5) 0.8789(3) 0.2689(3) 0.0330(14) Uani 1 1 d . . .
H22A H 0.4069 0.8784 0.2277 0.040 Uiso 1 1 calc R . .
C23 C 0.2947(5) 0.8687(3) 0.2710(4) 0.0368(15) Uani 1 1 d . . .
C24 C 0.2227(5) 0.8563(4) 0.2074(4) 0.0506(19) Uani 1 1 d . . .
H24A H 0.2014 0.8178 0.2105 0.061 Uiso 1 1 calc R . .
H24B H 0.1698 0.8809 0.2073 0.061 Uiso 1 1 calc R . .
C25 C 0.2479(9) 0.8622(10) 0.1447(7) 0.136(8) Uani 1 1 d . . .
H25A H 0.2661 0.8991 0.1384 0.164 Uiso 1 1 calc R . .
C26 C 0.2531(10) 0.8320(9) 0.0946(7) 0.134(7) Uani 1 1 d . . .
H26A H 0.2370 0.7940 0.0941 0.201 Uiso 1 1 calc R . .
H26B H 0.2731 0.8477 0.0579 0.201 Uiso 1 1 calc R . .
C27 C 0.2708(4) 0.8686(3) 0.3327(3) 0.0331(15) Uani 1 1 d . . .
H27A H 0.2097 0.8600 0.3347 0.040 Uiso 1 1 calc R . .
C28 C 0.5780(5) 0.8853(3) 0.2699(3) 0.0374(15) Uani 1 1 d . . .
H28A H 0.5254 0.8765 0.2343 0.056 Uiso 1 1 calc R . .
H28B H 0.6202 0.8539 0.2767 0.056 Uiso 1 1 calc R . .
H28C H 0.6092 0.9180 0.2575 0.056 Uiso 1 1 calc R . .
C29 C 0.3253(4) 1.0273(3) 0.3103(3) 0.0321(14) Uani 1 1 d . . .
H29A H 0.3146 1.0142 0.2643 0.048 Uiso 1 1 calc R . .
H29B H 0.2967 1.0636 0.3116 0.048 Uiso 1 1 calc R . .
H29C H 0.2990 1.0010 0.3371 0.048 Uiso 1 1 calc R . .
C30 C 0.4810(4) 1.0289(3) 0.2896(3) 0.0270(13) Uani 1 1 d . . .
C31 C 0.4527(4) 1.0401(3) 0.2221(3) 0.0349(15) Uani 1 1 d . . .
H31A H 0.3905 1.0482 0.2041 0.042 Uiso 1 1 calc R . .
C32 C 0.5172(5) 1.0393(3) 0.1798(3) 0.0374(16) Uani 1 1 d . . .
C33 C 0.4858(6) 1.0509(4) 0.1050(4) 0.056(2) Uani 1 1 d . . .
H33A H 0.4492 1.0854 0.0995 0.068 Uiso 1 1 calc R . .
H33B H 0.5406 1.0579 0.0865 0.068 Uiso 1 1 calc R . .
C34 C 0.4314(7) 1.0069(5) 0.0650(5) 0.070(3) Uani 1 1 d . . .
H34A H 0.4011 1.0164 0.0212 0.083 Uiso 1 1 calc R . .
C35 C 0.4215(14) 0.9581(8) 0.0832(8) 0.141(7) Uani 1 1 d . . .
H35A H 0.4505 0.9465 0.1265 0.211 Uiso 1 1 calc R . .
H35B H 0.3851 0.9328 0.0537 0.211 Uiso 1 1 calc R . .
C36 C 0.6098(5) 1.0288(3) 0.2086(3) 0.0331(14) Uani 1 1 d . . .
H36A H 0.6531 1.0290 0.1810 0.040 Uiso 1 1 calc R . .
C37 C 0.6404(4) 1.0180(3) 0.2782(3) 0.0260(13) Uani 1 1 d . . .
C38 C 0.5745(4) 1.0165(2) 0.3201(3) 0.0233(12) Uani 1 1 d . . .
C39 C 0.7396(4) 1.0101(3) 0.3083(3) 0.0268(13) Uani 1 1 d . . .
H39A H 0.7587 1.0083 0.3552 0.032 Uiso 1 1 calc R . .
C40 C 0.8978(4) 1.0002(3) 0.3067(4) 0.0316(14) Uani 1 1 d . . .
H40A H 0.9030 1.0077 0.3550 0.038 Uiso 1 1 calc R . .
C41 C 0.9575(5) 1.0424(3) 0.2778(4) 0.0407(17) Uani 1 1 d . . .
H41A H 0.9392 1.0804 0.2872 0.049 Uiso 1 1 calc R . .
H41B H 0.9464 1.0379 0.2291 0.049 Uiso 1 1 calc R . .
C42 C 1.0623(5) 1.0346(3) 0.3080(5) 0.053(2) Uani 1 1 d . . .
H42A H 1.0980 1.0609 0.2870 0.064 Uiso 1 1 calc R . .
H42B H 1.0748 1.0424 0.3562 0.064 Uiso 1 1 calc R . .
C43 C 1.0914(6) 0.9747(4) 0.2962(7) 0.079(4) Uani 1 1 d . . .
H43A H 1.1570 0.9698 0.3159 0.094 Uiso 1 1 calc R . .
H43B H 1.0819 0.9675 0.2479 0.094 Uiso 1 1 calc R . .
C44 C 1.0336(5) 0.9326(3) 0.3285(7) 0.066(3) Uani 1 1 d . . .
H44A H 1.0524 0.8942 0.3209 0.080 Uiso 1 1 calc R . .
H44B H 1.0443 0.9390 0.3769 0.080 Uiso 1 1 calc R . .
C45 C 0.9316(5) 0.9405(3) 0.2971(4) 0.0407(17) Uani 1 1 d . . .
H45A H 0.9219 0.9327 0.2485 0.049 Uiso 1 1 calc R . .
C46 C 0.8778(5) 0.8463(3) 0.3238(4) 0.0362(15) Uani 1 1 d . . .
H46A H 0.9203 0.8303 0.3011 0.043 Uiso 1 1 calc R . .
C47 C 0.8203(4) 0.8096(3) 0.3527(4) 0.0323(14) Uani 1 1 d . . .
C48 C 0.8333(5) 0.7509(3) 0.3479(4) 0.0449(18) Uani 1 1 d . . .
H48A H 0.8790 0.7374 0.3264 0.054 Uiso 1 1 calc R . .
C49 C 0.7797(5) 0.7133(3) 0.3746(5) 0.0470(19) Uani 1 1 d . . .
C50 C 0.7922(8) 0.6500(4) 0.3668(8) 0.090(4) Uani 1 1 d . . .
H50A H 0.7560 0.6394 0.3226 0.109 Uiso 1 1 calc R . .
H50B H 0.8570 0.6437 0.3655 0.109 Uiso 1 1 calc R . .
C51 C 0.7712(12) 0.6145(4) 0.4105(11) 0.144(8) Uani 1 1 d . . .
H51A H 0.8103 0.6211 0.4524 0.173 Uiso 1 1 calc R . .
C52 C 0.7172(10) 0.5744(5) 0.4167(7) 0.091(4) Uani 1 1 d . . .
H52A H 0.6732 0.5621 0.3794 0.137 Uiso 1 1 calc R . .
H52B H 0.7214 0.5571 0.4586 0.137 Uiso 1 1 calc R . .
C53 C 0.7106(5) 0.7345(3) 0.4070(4) 0.0345(15) Uani 1 1 d . . .
H53A H 0.6740 0.7096 0.4255 0.041 Uiso 1 1 calc R . .
C54 C 0.6969(4) 0.7917(3) 0.4113(3) 0.0253(13) Uani 1 1 d . . .
C55 C 0.7522(4) 0.8307(3) 0.3851(3) 0.0255(13) Uani 1 1 d . . .
C56 C 0.5662(5) 0.7799(3) 0.4647(4) 0.0352(15) Uani 1 1 d . . .
H56A H 0.5766 0.7416 0.4527 0.053 Uiso 1 1 calc R . .
H56B H 0.5036 0.7907 0.4443 0.053 Uiso 1 1 calc R . .
H56C H 0.5754 0.7830 0.5131 0.053 Uiso 1 1 calc R . .
C57 C 0.161(3) 1.068(3) 0.0999(15) 0.85(7) Uani 1 1 d D . .
H57A H 0.1976 1.0551 0.0681 1.020 Uiso 1 1 calc R . .
H57B H 0.1343 1.1036 0.0823 1.020 Uiso 1 1 calc R . .
C58 C 0.083(2) 1.0301(15) 0.0892(19) 0.284(19) Uani 1 1 d D . .
H58A H 0.0497 1.0332 0.0432 0.426 Uiso 1 1 calc R . .
H58B H 0.0433 1.0398 0.1193 0.426 Uiso 1 1 calc R . .
H58C H 0.1053 0.9921 0.0980 0.426 Uiso 1 1 calc R . .
C59 C 0.833(3) 0.8754(16) 0.1304(14) 0.428(9) Uani 1 1 d D . .
H59A H 0.8029 0.9111 0.1185 0.642 Uiso 1 1 calc R . .
H59B H 0.8490 0.8719 0.1788 0.642 Uiso 1 1 calc R . .
H59C H 0.7910 0.8454 0.1119 0.642 Uiso 1 1 calc R . .
C60 C 0.9141(19) 0.8720(10) 0.1038(9) 0.96(10) Uani 1 1 d D . .
H60A H 0.8947 0.8658 0.0554 1.152 Uiso 1 1 calc R . .
H60B H 0.9440 0.9087 0.1099 1.152 Uiso 1 1 calc R . .
Cl1 Cl 0.79383(10) 0.99320(6) 0.49607(8) 0.0324(3) Uani 1 1 d . . .
Cl2 Cl 1.06748(15) 0.76758(10) 0.31055(16) 0.0747(8) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Yb2 0.01682(19) 0.02380(19) 0.02561(19) -0.00056(11) 0.00895(13) 0.00211(11)
Yb1 0.01646(19) 0.02241(18) 0.02640(19) 0.00158(11) 0.00914(13) 0.00176(11)
N1 0.030(3) 0.025(3) 0.037(3) 0.006(2) 0.016(2) 0.001(2)
N2 0.017(2) 0.030(3) 0.039(3) 0.003(2) 0.014(2) 0.002(2)
N3 0.029(3) 0.040(3) 0.036(3) 0.002(2) 0.018(2) -0.001(2)
N4 0.023(3) 0.034(3) 0.050(3) -0.006(3) 0.019(2) -0.001(2)
O1 0.023(2) 0.038(2) 0.035(2) 0.0099(19) 0.0099(18) 0.0081(18)
O2 0.019(2) 0.029(2) 0.028(2) 0.0054(17) 0.0093(17) 0.0081(16)
O3 0.021(2) 0.025(2) 0.025(2) -0.0027(16) 0.0072(17) 0.0003(16)
O4 0.026(2) 0.031(2) 0.027(2) -0.0065(17) 0.0088(17) -0.0013(17)
O5 0.017(2) 0.037(2) 0.030(2) 0.0024(18) 0.0078(17) 0.0011(17)
O6 0.020(2) 0.025(2) 0.021(2) 0.0017(16) 0.0066(16) 0.0041(16)
O7 0.026(2) 0.028(2) 0.032(2) -0.0024(18) 0.0128(18) 0.0008(17)
O8 0.026(2) 0.023(2) 0.041(2) -0.0023(18) 0.0172(19) 0.0001(17)
O9 0.0156(19) 0.023(2) 0.026(2) -0.0001(16) 0.0055(16) -0.0001(15)
O10 0.24(2) 0.28(3) 0.60(5) 0.28(3) 0.16(3) 0.13(2)
O13 0.39(4) 0.32(3) 0.36(4) 0.04(3) 0.10(3) -0.19(3)
O14 0.75(3) 0.47(2) 0.32(2) -0.302(18) 0.37(2) -0.501
O15 0.109(11) 0.25(2) 0.56(4) 0.14(3) -0.042(17) -0.029(13)
O16 0.123(14) 1.41(13) 0.74(7) -0.86(8) -0.20(3) 0.26(4)
C1 0.021(3) 0.052(4) 0.047(4) 0.004(3) 0.015(3) 0.006(3)
C2 0.028(3) 0.027(3) 0.033(3) 0.005(3) 0.009(3) 0.002(3)
C3 0.022(3) 0.041(4) 0.043(4) 0.008(3) 0.006(3) 0.004(3)
C4 0.032(4) 0.043(4) 0.044(4) 0.018(3) 0.003(3) 0.004(3)
C5 0.032(4) 0.078(6) 0.069(6) 0.039(5) 0.005(4) 0.008(4)
C6 0.099(11) 0.175(16) 0.155(15) 0.128(13) -0.060(10) -0.048(10)
C7 0.046(7) 0.231(19) 0.170(15) 0.153(15) -0.041(8) -0.050(9)
C8 0.033(4) 0.041(4) 0.037(4) 0.014(3) 0.009(3) 0.003(3)
C9 0.029(3) 0.029(3) 0.035(3) 0.005(3) 0.009(3) 0.003(3)
C10 0.022(3) 0.022(3) 0.029(3) 0.000(2) 0.007(2) 0.004(2)
C11 0.032(4) 0.027(3) 0.038(4) 0.006(3) 0.017(3) 0.003(3)
C12 0.028(3) 0.031(3) 0.049(4) 0.008(3) 0.020(3) -0.004(3)
C13 0.043(4) 0.045(4) 0.057(5) 0.015(4) 0.027(4) 0.004(3)
C14 0.047(5) 0.047(4) 0.074(6) 0.011(4) 0.038(4) -0.004(4)
C15 0.034(4) 0.048(4) 0.074(6) 0.002(4) 0.032(4) -0.004(3)
C16 0.025(3) 0.038(4) 0.061(5) 0.002(3) 0.019(3) -0.003(3)
C17 0.027(3) 0.027(3) 0.048(4) 0.001(3) 0.021(3) 0.002(3)
C18 0.019(3) 0.028(3) 0.046(4) -0.001(3) 0.007(3) -0.001(2)
C19 0.021(3) 0.024(3) 0.039(4) -0.004(3) 0.005(3) 0.000(2)
C20 0.023(3) 0.018(3) 0.037(3) -0.006(2) 0.007(3) 0.002(2)
C21 0.016(3) 0.028(3) 0.034(3) -0.004(3) 0.002(2) -0.001(2)
C22 0.034(4) 0.033(3) 0.033(3) -0.005(3) 0.007(3) 0.000(3)
C23 0.028(4) 0.034(4) 0.044(4) -0.002(3) -0.001(3) -0.002(3)
C24 0.036(4) 0.065(5) 0.047(5) -0.009(4) -0.001(3) -0.004(4)
C25 0.060(8) 0.26(2) 0.070(9) 0.010(11) -0.020(7) -0.047(11)
C26 0.097(10) 0.24(2) 0.058(8) -0.034(11) 0.011(7) -0.047(12)
C27 0.022(3) 0.032(3) 0.043(4) -0.002(3) 0.002(3) 0.001(3)
C28 0.038(4) 0.049(4) 0.028(3) -0.008(3) 0.014(3) -0.002(3)
C29 0.014(3) 0.041(4) 0.039(4) -0.005(3) 0.000(3) -0.002(3)
C30 0.022(3) 0.031(3) 0.028(3) -0.002(3) 0.004(2) -0.004(2)
C31 0.022(3) 0.049(4) 0.032(4) 0.007(3) 0.004(3) -0.003(3)
C32 0.039(4) 0.048(4) 0.024(3) 0.008(3) 0.004(3) -0.006(3)
C33 0.050(5) 0.083(6) 0.036(4) 0.013(4) 0.008(4) -0.015(4)
C34 0.075(7) 0.095(8) 0.037(4) 0.001(5) 0.008(4) -0.023(6)
C35 0.193(19) 0.143(15) 0.081(10) -0.018(10) 0.018(11) -0.077(14)
C36 0.031(4) 0.041(4) 0.029(3) 0.003(3) 0.011(3) -0.007(3)
C37 0.024(3) 0.031(3) 0.025(3) 0.003(2) 0.009(2) -0.001(2)
C38 0.021(3) 0.022(3) 0.027(3) -0.001(2) 0.008(2) 0.003(2)
C39 0.029(3) 0.028(3) 0.025(3) -0.001(2) 0.009(3) 0.000(2)
C40 0.023(3) 0.035(3) 0.040(4) -0.002(3) 0.015(3) 0.001(3)
C41 0.030(4) 0.039(4) 0.059(5) 0.004(3) 0.023(3) 0.001(3)
C42 0.032(4) 0.039(4) 0.092(7) 0.005(4) 0.021(4) -0.008(3)
C43 0.034(5) 0.040(5) 0.174(12) 0.003(6) 0.050(6) -0.002(4)
C44 0.026(4) 0.036(4) 0.146(10) 0.007(5) 0.038(5) 0.001(3)
C45 0.031(4) 0.036(4) 0.062(5) -0.008(3) 0.027(3) -0.006(3)
C46 0.032(4) 0.034(4) 0.049(4) -0.008(3) 0.023(3) -0.001(3)
C47 0.025(3) 0.032(3) 0.044(4) -0.009(3) 0.016(3) 0.000(3)
C48 0.039(4) 0.034(4) 0.069(5) -0.015(4) 0.028(4) -0.003(3)
C49 0.046(4) 0.031(4) 0.073(5) -0.009(4) 0.034(4) 0.001(3)
C50 0.090(8) 0.034(5) 0.177(13) -0.001(6) 0.096(9) 0.009(5)
C51 0.163(14) 0.033(5) 0.29(2) 0.028(9) 0.175(16) 0.033(7)
C52 0.132(11) 0.059(6) 0.096(9) -0.006(6) 0.054(8) -0.034(7)
C53 0.032(4) 0.030(3) 0.045(4) -0.002(3) 0.018(3) -0.002(3)
C54 0.021(3) 0.025(3) 0.030(3) -0.005(2) 0.008(2) 0.004(2)
C55 0.023(3) 0.026(3) 0.027(3) -0.005(2) 0.006(2) 0.001(2)
C56 0.032(4) 0.029(3) 0.052(4) -0.003(3) 0.025(3) -0.003(3)
C57 0.28(3) 2.00(19) 0.30(4) -0.72(9) 0.130(18) -0.501
C58 0.20(3) 0.34(5) 0.32(5) 0.02(4) 0.08(3) -0.08(3)
C59 0.64(3) 0.51(3) 0.25(3) -0.29(2) 0.34(3) -0.502
C60 2.0(2) 0.103(17) 0.32(4) 0.03(2) -0.79(9) -0.02(5)
Cl1 0.0212(7) 0.0328(8) 0.0424(9) -0.0010(6) 0.0050(6) -0.0006(6)
Cl2 0.0476(12) 0.0587(13) 0.128(2) -0.0352(14) 0.0425(13) -0.0039(10)

_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
Yb2 O7 2.210(4) . ?
Yb2 O3 2.282(4) . ?
Yb2 O2 2.330(4) . ?
Yb2 O9 2.336(4) . ?
Yb2 O6 2.387(4) . ?
Yb2 O8 2.556(4) . ?
Yb2 O4 2.649(4) . ?
Yb2 O1 2.695(4) . ?
Yb2 Cl1 2.7064(15) . ?
Yb2 C55 3.163(6) . ?
Yb2 Yb1 3.4375(4) . ?
Yb2 Yb1 3.7947(4) 3_676 ?
Yb1 O2 2.259(4) . ?
Yb1 O9 2.274(4) 3_676 ?
Yb1 O9 2.285(4) . ?
Yb1 O3 2.294(4) . ?
Yb1 O6 2.306(4) 3_676 ?
Yb1 N2 2.380(5) . ?
Yb1 N1 2.435(5) . ?
Yb1 O5 2.449(4) 3_676 ?
Yb1 C38 3.091(6) 3_676 ?
Yb1 C17 3.153(6) . ?
Yb1 Yb1 3.6879(6) 3_676 ?
N1 C11 1.267(8) . ?
N1 C12 1.493(8) . ?
N2 C18 1.285(9) . ?
N2 C17 1.467(8) . ?
N3 C39 1.289(8) . ?
N3 C40 1.457(9) . ?
N4 C46 1.287(9) . ?
N4 C45 1.483(9) . ?
O1 C2 1.377(8) . ?
O1 C1 1.443(8) . ?
O2 C10 1.327(7) . ?
O3 C20 1.335(7) . ?
O4 C21 1.376(7) . ?
O4 C28 1.443(7) . ?
O5 C30 1.397(7) . ?
O5 C29 1.447(7) . ?
O5 Yb1 2.449(4) 3_676 ?
O6 C38 1.337(7) . ?
O6 Yb1 2.306(4) 3_676 ?
O7 C55 1.315(7) . ?
O8 C54 1.375(7) . ?
O8 C56 1.448(7) . ?
O9 Yb1 2.274(4) 3_676 ?
O10 C57 1.10(4) . ?
O15 C60 1.286(17) . ?
C2 C3 1.378(9) . ?
C2 C10 1.404(9) . ?
C3 C4 1.397(10) . ?
C4 C8 1.374(10) . ?
C4 C5 1.523(10) . ?
C5 C6 1.358(17) . ?
C6 C7 1.284(15) . ?
C8 C9 1.425(9) . ?
C9 C10 1.411(9) . ?
C9 C11 1.457(9) . ?
C12 C13 1.521(10) . ?
C12 C17 1.527(9) . ?
C13 C14 1.527(11) . ?
C14 C15 1.502(12) . ?
C15 C16 1.526(11) . ?
C16 C17 1.523(9) . ?
C18 C19 1.466(9) . ?
C19 C27 1.405(9) . ?
C19 C20 1.413(9) . ?
C20 C21 1.406(9) . ?
C21 C22 1.382(9) . ?
C22 C23 1.406(10) . ?
C23 C27 1.365(10) . ?
C23 C24 1.510(10) . ?
C24 C25 1.400(17) . ?
C25 C26 1.26(2) . ?
C30 C31 1.364(9) . ?
C30 C38 1.415(9) . ?
C31 C32 1.404(10) . ?
C32 C36 1.386(10) . ?
C32 C33 1.509(10) . ?
C33 C34 1.453(14) . ?
C34 C35 1.230(19) . ?
C36 C37 1.407(9) . ?
C37 C38 1.415(8) . ?
C37 C39 1.469(9) . ?
C38 Yb1 3.091(6) 3_676 ?
C40 C41 1.524(9) . ?
C40 C45 1.526(9) . ?
C41 C42 1.544(11) . ?
C42 C43 1.515(12) . ?
C43 C44 1.541(12) . ?
C44 C45 1.512(12) . ?
C46 C47 1.420(9) . ?
C47 C55 1.399(9) . ?
C47 C48 1.409(10) . ?
C48 C49 1.373(11) . ?
C49 C53 1.411(10) . ?
C49 C50 1.523(11) . ?
C50 C51 1.303(17) . ?
C51 C52 1.260(16) . ?
C53 C54 1.375(9) . ?
C54 C55 1.406(9) . ?
C57 C58 1.426(19) . ?
C59 C60 1.41(2) . ?

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 Yb2 O3 128.07(15) . . ?
O7 Yb2 O2 125.44(14) . . ?
O3 Yb2 O2 67.23(14) . . ?
O7 Yb2 O9 156.88(14) . . ?
O3 Yb2 O9 72.92(13) . . ?
O2 Yb2 O9 68.21(13) . . ?
O7 Yb2 O6 101.12(14) . . ?
O3 Yb2 O6 85.54(14) . . ?
O2 Yb2 O6 133.44(13) . . ?
O9 Yb2 O6 67.98(13) . . ?
O7 Yb2 O8 65.95(14) . . ?
O3 Yb2 O8 75.28(14) . . ?
O2 Yb2 O8 71.57(14) . . ?
O9 Yb2 O8 135.79(13) . . ?
O6 Yb2 O8 138.45(14) . . ?
O7 Yb2 O4 71.32(14) . . ?
O3 Yb2 O4 63.34(13) . . ?
O2 Yb2 O4 122.67(14) . . ?
O9 Yb2 O4 119.55(13) . . ?
O6 Yb2 O4 68.99(13) . . ?
O8 Yb2 O4 69.47(14) . . ?
O7 Yb2 O1 72.07(15) . . ?
O3 Yb2 O1 123.69(14) . . ?
O2 Yb2 O1 61.29(13) . . ?
O9 Yb2 O1 105.92(14) . . ?
O6 Yb2 O1 148.14(13) . . ?
O8 Yb2 O1 68.45(14) . . ?
O4 Yb2 O1 132.43(13) . . ?
O7 Yb2 Cl1 83.64(11) . . ?
O3 Yb2 Cl1 147.32(10) . . ?
O2 Yb2 Cl1 102.90(11) . . ?
O9 Yb2 Cl1 74.53(10) . . ?
O6 Yb2 Cl1 79.81(10) . . ?
O8 Yb2 Cl1 133.09(10) . . ?
O4 Yb2 Cl1 134.43(10) . . ?
O1 Yb2 Cl1 68.61(10) . . ?
O7 Yb2 C55 19.72(16) . . ?
O3 Yb2 C55 114.97(15) . . ?
O2 Yb2 C55 108.53(15) . . ?
O9 Yb2 C55 170.13(14) . . ?
O6 Yb2 C55 117.23(15) . . ?
O8 Yb2 C55 46.47(14) . . ?
O4 Yb2 C55 70.22(14) . . ?
O1 Yb2 C55 65.05(15) . . ?
Cl1 Yb2 C55 97.69(11) . . ?
O7 Yb2 Yb1 160.95(11) . . ?
O3 Yb2 Yb1 41.45(10) . . ?
O2 Yb2 Yb1 40.70(9) . . ?
O9 Yb2 Yb1 41.38(9) . . ?
O6 Yb2 Yb1 94.13(9) . . ?
O8 Yb2 Yb1 95.06(9) . . ?
O4 Yb2 Yb1 104.26(9) . . ?
O1 Yb2 Yb1 100.53(9) . . ?
Cl1 Yb2 Yb1 110.49(4) . . ?
C55 Yb2 Yb1 141.26(11) . . ?
O7 Yb2 Yb1 135.94(11) . 3_676 ?
O3 Yb2 Yb1 69.63(10) . 3_676 ?
O2 Yb2 Yb1 98.36(9) . 3_676 ?
O9 Yb2 Yb1 34.09(10) . 3_676 ?
O6 Yb2 Yb1 35.31(9) . 3_676 ?
O8 Yb2 Yb1 144.60(9) . 3_676 ?
O4 Yb2 Yb1 90.31(9) . 3_676 ?
O1 Yb2 Yb1 137.25(10) . 3_676 ?
Cl1 Yb2 Yb1 81.85(3) . 3_676 ?
C55 Yb2 Yb1 152.41(11) . 3_676 ?
Yb1 Yb2 Yb1 61.080(9) . 3_676 ?
O2 Yb1 O9 134.30(14) . 3_676 ?
O2 Yb1 O9 70.31(14) . . ?
O9 Yb1 O9 72.05(15) 3_676 . ?
O2 Yb1 O3 68.23(14) . . ?
O9 Yb1 O3 77.08(14) 3_676 . ?
O9 Yb1 O3 73.65(14) . . ?
O2 Yb1 O6 146.87(14) . 3_676 ?
O9 Yb1 O6 70.41(13) 3_676 3_676 ?
O9 Yb1 O6 108.22(14) . 3_676 ?
O3 Yb1 O6 144.54(14) . 3_676 ?
O2 Yb1 N2 114.58(16) . . ?
O9 Yb1 N2 82.84(16) 3_676 . ?
O9 Yb1 N2 143.66(16) . . ?
O3 Yb1 N2 75.46(16) . . ?
O6 Yb1 N2 86.62(16) 3_676 . ?
O2 Yb1 N1 74.91(16) . . ?
O9 Yb1 N1 146.14(16) 3_676 . ?
O9 Yb1 N1 141.81(16) . . ?
O3 Yb1 N1 107.55(16) . . ?
O6 Yb1 N1 92.43(15) 3_676 . ?
N2 Yb1 N1 66.75(18) . . ?
O2 Yb1 O5 81.64(14) . 3_676 ?
O9 Yb1 O5 117.17(14) 3_676 3_676 ?
O9 Yb1 O5 81.46(14) . 3_676 ?
O3 Yb1 O5 145.82(13) . 3_676 ?
O6 Yb1 O5 65.69(13) 3_676 3_676 ?
N2 Yb1 O5 134.28(16) . 3_676 ?
N1 Yb1 O5 78.34(17) . 3_676 ?
O2 Yb1 C38 125.05(15) . 3_676 ?
O9 Yb1 C38 93.51(14) 3_676 3_676 ?
O9 Yb1 C38 113.81(15) . 3_676 ?
O3 Yb1 C38 165.88(15) . 3_676 ?
O6 Yb1 C38 23.39(14) 3_676 3_676 ?
N2 Yb1 C38 93.10(16) . 3_676 ?
N1 Yb1 C38 74.46(16) . 3_676 ?
O5 Yb1 C38 48.11(14) 3_676 3_676 ?
O2 Yb1 C17 118.39(15) . . ?
O9 Yb1 C17 96.01(15) 3_676 . ?
O9 Yb1 C17 167.51(16) . . ?
O3 Yb1 C17 100.55(16) . . ?
O6 Yb1 C17 69.87(15) 3_676 . ?
N2 Yb1 C17 26.31(18) . . ?
N1 Yb1 C17 50.17(17) . . ?
O5 Yb1 C17 107.98(16) 3_676 . ?
C38 Yb1 C17 69.62(16) 3_676 . ?
O2 Yb1 Yb2 42.28(10) . . ?
O9 Yb1 Yb2 92.07(9) 3_676 . ?
O9 Yb1 Yb2 42.52(9) . . ?
O3 Yb1 Yb2 41.18(10) . . ?
O6 Yb1 Yb2 150.52(10) 3_676 . ?
N2 Yb1 Yb2 115.36(12) . . ?
N1 Yb1 Yb2 113.74(12) . . ?
O5 Yb1 Yb2 105.06(9) 3_676 . ?
C38 Yb1 Yb2 151.47(11) 3_676 . ?
C17 Yb1 Yb2 137.42(12) . . ?
O2 Yb1 Yb1 102.82(10) . 3_676 ?
O9 Yb1 Yb1 36.12(9) 3_676 3_676 ?
O9 Yb1 Yb1 35.92(10) . 3_676 ?
O3 Yb1 Yb1 71.80(10) . 3_676 ?
O6 Yb1 Yb1 89.25(10) 3_676 3_676 ?
N2 Yb1 Yb1 114.98(13) . 3_676 ?
N1 Yb1 Yb1 177.68(12) . 3_676 ?
O5 Yb1 Yb1 100.93(10) 3_676 3_676 ?
C38 Yb1 Yb1 106.73(11) 3_676 3_676 ?
C17 Yb1 Yb1 132.04(12) . 3_676 ?
Yb2 Yb1 Yb1 64.245(9) . 3_676 ?
C11 N1 C12 117.1(5) . . ?
C11 N1 Yb1 126.6(4) . . ?
C12 N1 Yb1 116.2(4) . . ?
C18 N2 C17 121.0(5) . . ?
C18 N2 Yb1 131.2(4) . . ?
C17 N2 Yb1 107.7(4) . . ?
C39 N3 C40 117.1(6) . . ?
C46 N4 C45 125.4(6) . . ?
C2 O1 C1 116.7(5) . . ?
C2 O1 Yb2 116.8(3) . . ?
C1 O1 Yb2 126.3(4) . . ?
C10 O2 Yb1 131.2(4) . . ?
C10 O2 Yb2 130.1(3) . . ?
Yb1 O2 Yb2 97.02(14) . . ?
C20 O3 Yb2 128.1(4) . . ?
C20 O3 Yb1 133.3(4) . . ?
Yb2 O3 Yb1 97.38(15) . . ?
C21 O4 C28 115.6(5) . . ?
C21 O4 Yb2 115.8(3) . . ?
C28 O4 Yb2 128.6(4) . . ?
C30 O5 C29 116.0(5) . . ?
C30 O5 Yb1 110.9(3) . 3_676 ?
C29 O5 Yb1 132.0(4) . 3_676 ?
C38 O6 Yb1 113.4(3) . 3_676 ?
C38 O6 Yb2 133.2(3) . . ?
Yb1 O6 Yb2 107.93(15) 3_676 . ?
C55 O7 Yb2 125.7(4) . . ?
C54 O8 C56 117.2(5) . . ?
C54 O8 Yb2 114.1(3) . . ?
C56 O8 Yb2 128.5(3) . . ?
Yb1 O9 Yb1 107.95(15) 3_676 . ?
Yb1 O9 Yb2 110.77(16) 3_676 . ?
Yb1 O9 Yb2 96.10(14) . . ?
O1 C2 C3 125.1(6) . . ?
O1 C2 C10 113.3(5) . . ?
C3 C2 C10 121.6(6) . . ?
C2 C3 C4 120.2(6) . . ?
C8 C4 C3 119.4(6) . . ?
C8 C4 C5 121.3(7) . . ?
C3 C4 C5 119.2(6) . . ?
C6 C5 C4 116.0(8) . . ?
C7 C6 C5 132(2) . . ?
C4 C8 C9 121.1(6) . . ?
C10 C9 C8 118.9(6) . . ?
C10 C9 C11 122.7(6) . . ?
C8 C9 C11 117.9(6) . . ?
O2 C10 C2 118.2(5) . . ?
O2 C10 C9 123.6(5) . . ?
C2 C10 C9 118.2(6) . . ?
N1 C11 C9 126.9(6) . . ?
N1 C12 C13 115.6(6) . . ?
N1 C12 C17 108.8(5) . . ?
C13 C12 C17 110.2(5) . . ?
C12 C13 C14 110.5(7) . . ?
C15 C14 C13 112.0(6) . . ?
C14 C15 C16 111.9(6) . . ?
C17 C16 C15 109.5(6) . . ?
N2 C17 C16 117.7(6) . . ?
N2 C17 C12 106.6(5) . . ?
C16 C17 C12 110.8(5) . . ?
N2 C17 Yb1 46.0(3) . . ?
C16 C17 Yb1 161.8(5) . . ?
C12 C17 Yb1 84.6(3) . . ?
N2 C18 C19 125.2(6) . . ?
C27 C19 C20 119.4(6) . . ?
C27 C19 C18 116.1(6) . . ?
C20 C19 C18 124.2(6) . . ?
O3 C20 C21 119.2(5) . . ?
O3 C20 C19 123.7(6) . . ?
C21 C20 C19 117.0(6) . . ?
O4 C21 C22 124.4(6) . . ?
O4 C21 C20 113.4(5) . . ?
C22 C21 C20 122.2(6) . . ?
C21 C22 C23 120.3(6) . . ?
C27 C23 C22 117.9(6) . . ?
C27 C23 C24 120.5(6) . . ?
C22 C23 C24 121.6(7) . . ?
C25 C24 C23 118.5(8) . . ?
C26 C25 C24 138(2) . . ?
C23 C27 C19 122.9(6) . . ?
C31 C30 O5 125.1(6) . . ?
C31 C30 C38 122.6(6) . . ?
O5 C30 C38 112.1(5) . . ?
C30 C31 C32 120.2(6) . . ?
C36 C32 C31 118.4(6) . . ?
C36 C32 C33 121.2(7) . . ?
C31 C32 C33 120.3(7) . . ?
C34 C33 C32 116.2(8) . . ?
C35 C34 C33 126.4(11) . . ?
C32 C36 C37 122.1(6) . . ?
C36 C37 C38 119.2(6) . . ?
C36 C37 C39 121.1(5) . . ?
C38 C37 C39 119.6(5) . . ?
O6 C38 C37 124.2(5) . . ?
O6 C38 C30 118.4(5) . . ?
C37 C38 C30 117.3(5) . . ?
O6 C38 Yb1 43.2(2) . 3_676 ?
C37 C38 Yb1 147.5(4) . 3_676 ?
C30 C38 Yb1 82.4(3) . 3_676 ?
N3 C39 C37 121.7(6) . . ?
N3 C40 C41 109.8(6) . . ?
N3 C40 C45 109.3(6) . . ?
C41 C40 C45 109.3(5) . . ?
C40 C41 C42 112.2(6) . . ?
C43 C42 C41 110.0(7) . . ?
C42 C43 C44 109.8(7) . . ?
C45 C44 C43 109.2(8) . . ?
N4 C45 C44 110.4(7) . . ?
N4 C45 C40 108.1(5) . . ?
C44 C45 C40 112.5(6) . . ?
N4 C46 C47 123.5(6) . . ?
C55 C47 C48 120.3(6) . . ?
C55 C47 C46 121.3(6) . . ?
C48 C47 C46 118.4(6) . . ?
C49 C48 C47 121.1(6) . . ?
C48 C49 C53 118.7(7) . . ?
C48 C49 C50 120.4(7) . . ?
C53 C49 C50 120.9(7) . . ?
C51 C50 C49 120.9(10) . . ?
C52 C51 C50 143(2) . . ?
C54 C53 C49 120.7(6) . . ?
O8 C54 C53 125.4(6) . . ?
O8 C54 C55 113.4(5) . . ?
C53 C54 C55 121.2(5) . . ?
O7 C55 C47 122.1(6) . . ?
O7 C55 C54 119.9(5) . . ?
C47 C55 C54 118.0(6) . . ?
O7 C55 Yb2 34.6(3) . . ?
C47 C55 Yb2 156.0(4) . . ?
C54 C55 Yb2 85.5(3) . . ?
O10 C57 C58 133(5) . . ?
O15 C60 C59 120(3) . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        62.52
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         2.212
_refine_diff_density_min         -1.160
_refine_diff_density_rms         0.165
_database_code_depnum_ccdc_archive 'CCDC 957505'