# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  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.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_Dy-p21c
_audit_creation_date             2014-10-25
_audit_creation_method           
;
  Olex2 1.2
  (compiled 2012.05.09 svn.r2324, GUI svn.r4230)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C72 H55 Dy2 N O22, 2(C3 H7 N O), O'
_chemical_formula_sum            'C78 H71 Dy2 N3 O25'
_chemical_formula_weight         1775.36
_chemical_melting_point          ?
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'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'

_cell_length_a                   14.06551(16)
_cell_length_b                   29.3960(3)
_cell_length_c                   18.4286(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 107.0581(14)
_cell_angle_gamma                90.00
_cell_volume                     7284.48(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    13656
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      29.2059
_cell_measurement_theta_min      2.9029
_exptl_absorpt_coefficient_mu    2.120
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.93632
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.617
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             3560
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0283
_diffrn_reflns_av_unetI/netI     0.0434
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            31911
_diffrn_reflns_theta_full        26.73
_diffrn_reflns_theta_max         26.73
_diffrn_reflns_theta_min         2.99
_diffrn_ambient_temperature      291.15
_diffrn_detector_area_resol_mean 16.2312
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -20.00   17.00   0.5000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.1323  -99.0000 -120.0000 74

#__ type_ start__ end____ width___ exp.time_
  2 omega  -46.00   -6.00   0.5000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       19.7104  -57.0000  -30.0000 80

#__ type_ start__ end____ width___ exp.time_
  3 omega  -33.00   29.00   0.5000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       19.7104  -57.0000 -180.0000 124

#__ type_ start__ end____ width___ exp.time_
  4 omega  -49.00   40.00   0.5000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       19.7104  -57.0000   60.0000 178
;
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0415991000
_diffrn_orient_matrix_UB_12      -0.0116826000
_diffrn_orient_matrix_UB_13      -0.0052503000
_diffrn_orient_matrix_UB_21      0.0291903000
_diffrn_orient_matrix_UB_22      0.0199630000
_diffrn_orient_matrix_UB_23      0.0102070000
_diffrn_orient_matrix_UB_31      0.0140711000
_diffrn_orient_matrix_UB_32      -0.0068617000
_diffrn_orient_matrix_UB_33      0.0386066000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                12933
_reflns_number_total             15311
_reflns_odcompleteness_completeness 99.70
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    
;
XS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_refine_diff_density_max         1.284
_refine_diff_density_min         -0.810
_refine_diff_density_rms         0.105
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     964
_refine_ls_number_reflns         15311
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0383
_refine_ls_restrained_S_all      1.097
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0354P)²+11.8703P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0881
_refine_ls_wR_factor_ref         0.0931
_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. 
 The anisotropic displacement parameters of C61 C62 C63 C64 C65 C66 and        lattice water O25 are large, we model these as disordered. EADP constrain     command is used to give two distroded atoms the same anisotropic
 displacement parameters. The DFIX command is used to fix the distances        between two named atoms: DFIX 1.36 C76 N3; DFIX 1.46 N3 C78;
 DFIX 1.46 N3 C77; DFIX 1.38 C57 O15; DFIX 2.78 C77 O24. The SIMU command  
 is used to restrain all the named atoms within a certain distance to 
 having the same displacement parameters (SIMU 1.7 N1 C71). The ISOR 
 command is used to resolve the PLAT 220  alert in checkcif report, the 
 atoms with relative large Ueq ranges (C60 C60A O25 O25A O18 ) are 
 restrained to behave in isotropic manner.
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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 0.173030(10) 0.328940(5) 0.327298(8) 0.02156(4) Uani 1 1 d . . .
Dy2 Dy 0.313160(10) 0.255946(5) 0.179014(8) 0.01988(4) Uani 1 1 d . . .
O1 O -0.16274(18) -0.10110(8) 0.10872(14) 0.0361(6) Uani 1 1 d . . .
O2 O -0.06074(18) -0.10585(8) 0.22418(14) 0.0368(6) Uani 1 1 d . . .
O3 O 0.04975(19) -0.03878(8) 0.28402(14) 0.0372(6) Uani 1 1 d . . .
H3 H 0.0197 -0.0629 0.2816 0.056 Uiso 1 1 calc R . .
O4 O 0.17448(19) 0.25098(8) 0.33680(14) 0.0353(6) Uani 1 1 d . . .
O5 O 0.23987(17) 0.21422(8) 0.25712(14) 0.0350(6) Uani 1 1 d . . .
O6 O 0.24725(18) 0.12559(8) 0.27377(16) 0.0442(7) Uani 1 1 d . . .
H6 H 0.2623 0.1501 0.2590 0.066 Uiso 1 1 calc R . .
O7 O 0.34427(17) 0.31752(9) 0.37758(15) 0.0406(7) Uani 1 1 d . . .
O8 O 0.40627(17) 0.27630(9) 0.30078(13) 0.0365(7) Uani 1 1 d . . .
O9 O 0.59110(18) 0.25810(10) 0.33538(14) 0.0487(8) Uani 1 1 d . . .
H9 H 0.5325 0.2585 0.3100 0.073 Uiso 1 1 calc R . .
O10 O 1.1141(2) 0.19591(9) 0.70469(14) 0.0434(7) Uani 1 1 d . . .
O11 O 1.14111(17) 0.24094(9) 0.61710(15) 0.0401(7) Uani 1 1 d . . .
O12 O 0.98838(17) 0.27147(8) 0.51121(15) 0.0372(7) Uani 1 1 d . . .
H12 H 1.0458 0.2711 0.5390 0.056 Uiso 1 1 calc R . .
O13 O 0.70132(18) 0.68386(8) 0.38810(13) 0.0350(6) Uani 1 1 d . . .
O14 O 0.58753(17) 0.68622(8) 0.27806(13) 0.0318(6) Uani 1 1 d . . .
O15 O 0.45706(19) 0.62348(8) 0.23586(14) 0.0385(7) Uani 1 1 d D . .
O16 O 0.30952(19) 0.33464(8) 0.17842(14) 0.0358(6) Uani 1 1 d . . .
O17 O 0.25108(18) 0.37510(8) 0.25811(14) 0.0385(6) Uani 1 1 d . . .
O18 O 0.2726(2) 0.46118(9) 0.26607(18) 0.0566(8) Uani 1 1 d U . .
H18 H 0.2535 0.4360 0.2750 0.085 Uiso 1 1 calc R . .
O19 O 0.46877(18) 0.26728(10) 0.15913(16) 0.0465(7) Uani 1 1 d . . .
O20W O 0.19583(19) 0.30612(9) 0.45913(13) 0.0379(6) Uani 1 1 d . . .
H20A H 0.2430 0.3218 0.4887 0.057 Uiso 1 1 d R . .
H20B H 0.1419 0.3109 0.4709 0.057 Uiso 1 1 d R . .
O21W O 0.01214(18) 0.31323(10) 0.34453(17) 0.0478(8) Uani 1 1 d . . .
H21A H 0.0195 0.2963 0.3839 0.072 Uiso 1 1 d R . .
H21B H -0.0246 0.2992 0.3053 0.072 Uiso 1 1 d R . .
O22W O 0.2856(2) 0.27592(9) 0.04389(14) 0.0440(7) Uani 1 1 d . . .
H22A H 0.3360 0.2669 0.0272 0.066 Uiso 1 1 d R . .
H22B H 0.2798 0.3059 0.0372 0.066 Uiso 1 1 d R . .
O23 O 0.8320(3) 0.35287(13) 0.3042(2) 0.0767(10) Uiso 1 1 d . . .
O24 O 0.2050(6) 0.3631(2) -0.0010(4) 0.201(3) Uiso 1 1 d D . .
N1 N 0.6314(2) 0.27154(13) 0.1661(2) 0.0496(9) Uani 1 1 d U . .
N2 N 0.7311(3) 0.41192(14) 0.3079(2) 0.0593(10) Uiso 1 1 d . . .
N3 N 0.1404(4) 0.42312(13) 0.0237(3) 0.0942(16) Uiso 1 1 d D . .
C1 C -0.0946(2) -0.08395(11) 0.1617(2) 0.0306(8) Uani 1 1 d . . .
C2 C -0.0524(2) -0.03824(11) 0.1538(2) 0.0298(8) Uani 1 1 d . . .
C3 C -0.0830(3) -0.01571(12) 0.0857(2) 0.0364(9) Uani 1 1 d . . .
H3A H -0.1309 -0.0291 0.0455 0.044 Uiso 1 1 calc R . .
C4 C -0.0443(3) 0.02704(12) 0.0747(2) 0.0367(9) Uani 1 1 d . . .
C5 C -0.0780(3) 0.05055(14) 0.0049(2) 0.0483(11) Uani 1 1 d . . .
H5 H -0.1290 0.0382 -0.0344 0.058 Uiso 1 1 calc R . .
C6 C -0.0367(3) 0.09113(15) -0.0057(3) 0.0550(12) Uani 1 1 d . . .
H6A H -0.0619 0.1072 -0.0507 0.066 Uiso 1 1 calc R . .
C7 C 0.0437(3) 0.10824(14) 0.0517(3) 0.0517(11) Uani 1 1 d . . .
H7 H 0.0748 0.1347 0.0431 0.062 Uiso 1 1 calc R . .
C8 C 0.0776(3) 0.08704(12) 0.1201(2) 0.0414(10) Uani 1 1 d . . .
H8 H 0.1309 0.0994 0.1574 0.050 Uiso 1 1 calc R . .
C9 C 0.0324(2) 0.04592(12) 0.1354(2) 0.0326(8) Uani 1 1 d . . .
C10 C 0.0623(2) 0.02415(11) 0.2073(2) 0.0293(8) Uani 1 1 d . . .
C11 C 0.0203(2) -0.01749(11) 0.21486(19) 0.0286(8) Uani 1 1 d . . .
C12 C 0.1376(2) 0.04593(11) 0.2744(2) 0.0324(8) Uani 1 1 d . . .
H12A H 0.1998 0.0495 0.2622 0.039 Uiso 1 1 calc R . .
H12B H 0.1497 0.0255 0.3175 0.039 Uiso 1 1 calc R . .
C13 C 0.1062(2) 0.09206(11) 0.2971(2) 0.0292(8) Uani 1 1 d . . .
C14 C 0.0185(3) 0.09674(12) 0.3207(2) 0.0317(8) Uani 1 1 d . . .
C15 C -0.0409(3) 0.05906(13) 0.3287(2) 0.0394(9) Uani 1 1 d . . .
H15A H -0.0219 0.0299 0.3191 0.047 Uiso 1 1 calc R . .
C16 C -0.1250(3) 0.06464(15) 0.3500(2) 0.0494(11) Uani 1 1 d . . .
H16 H -0.1620 0.0393 0.3552 0.059 Uiso 1 1 calc R . .
C17 C -0.1565(3) 0.10800(16) 0.3641(3) 0.0592(12) Uani 1 1 d . . .
H17 H -0.2151 0.1116 0.3772 0.071 Uiso 1 1 calc R . .
C18 C -0.1008(3) 0.14477(15) 0.3587(3) 0.0522(11) Uani 1 1 d . . .
H18A H -0.1211 0.1735 0.3695 0.063 Uiso 1 1 calc R . .
C19 C -0.0127(3) 0.14056(12) 0.3370(2) 0.0354(9) Uani 1 1 d . . .
C20 C 0.0459(3) 0.17854(12) 0.3322(2) 0.0371(9) Uani 1 1 d . . .
H20 H 0.0265 0.2072 0.3439 0.045 Uiso 1 1 calc R . .
C21 C 0.1309(3) 0.17420(11) 0.31072(19) 0.0283(8) Uani 1 1 d . . .
C22 C 0.1607(2) 0.13035(11) 0.2935(2) 0.0311(8) Uani 1 1 d . . .
C23 C 0.1854(2) 0.21620(11) 0.30139(18) 0.0252(8) Uani 1 1 d . . .
C24 C 0.4154(2) 0.29902(12) 0.3609(2) 0.0290(8) Uani 1 1 d . . .
C25 C 0.5188(2) 0.30406(12) 0.41434(18) 0.0277(8) Uani 1 1 d . . .
C26 C 0.5337(2) 0.33029(12) 0.47857(19) 0.0307(8) Uani 1 1 d . . .
H26 H 0.4791 0.3434 0.4892 0.037 Uiso 1 1 calc R . .
C27 C 0.6292(2) 0.33792(12) 0.52865(18) 0.0284(8) Uani 1 1 d . . .
C28 C 0.6446(3) 0.36632(13) 0.5926(2) 0.0382(9) Uani 1 1 d . . .
H28 H 0.5899 0.3791 0.6037 0.046 Uiso 1 1 calc R . .
C29 C 0.7373(3) 0.37552(15) 0.6385(2) 0.0465(11) Uani 1 1 d . . .
H29 H 0.7458 0.3940 0.6808 0.056 Uiso 1 1 calc R . .
C30 C 0.8205(3) 0.35692(14) 0.6216(2) 0.0422(10) Uani 1 1 d . . .
H30 H 0.8840 0.3638 0.6524 0.051 Uiso 1 1 calc R . .
C31 C 0.8091(2) 0.32886(12) 0.5607(2) 0.0316(9) Uani 1 1 d . . .
H31 H 0.8651 0.3168 0.5508 0.038 Uiso 1 1 calc R . .
C32 C 0.7132(2) 0.31767(12) 0.51215(18) 0.0256(8) Uani 1 1 d . . .
C33 C 0.6980(2) 0.28873(12) 0.44798(18) 0.0248(8) Uani 1 1 d . . .
C34 C 0.6031(2) 0.28359(12) 0.39946(18) 0.0287(8) Uani 1 1 d . . .
C35 C 0.7854(2) 0.26564(13) 0.42989(18) 0.0297(8) Uani 1 1 d . . .
H35A H 0.7616 0.2511 0.3806 0.036 Uiso 1 1 calc R . .
H35B H 0.8332 0.2888 0.4265 0.036 Uiso 1 1 calc R . .
C36 C 0.8384(2) 0.23017(11) 0.48791(18) 0.0242(7) Uani 1 1 d . . .
C37 C 0.7892(2) 0.18917(12) 0.49845(19) 0.0285(8) Uani 1 1 d . . .
C38 C 0.6946(3) 0.17694(14) 0.4498(2) 0.0427(10) Uani 1 1 d . . .
H38 H 0.6597 0.1972 0.4127 0.051 Uiso 1 1 calc R . .
C39 C 0.6542(3) 0.13556(16) 0.4572(3) 0.0576(13) Uani 1 1 d . . .
H39 H 0.5924 0.1278 0.4244 0.069 Uiso 1 1 calc R . .
C40 C 0.7029(3) 0.10526(16) 0.5119(3) 0.0633(14) Uani 1 1 d . . .
H40 H 0.6742 0.0771 0.5151 0.076 Uiso 1 1 calc R . .
C41 C 0.7926(3) 0.11578(14) 0.5616(3) 0.0503(11) Uani 1 1 d . . .
H41 H 0.8241 0.0950 0.5991 0.060 Uiso 1 1 calc R . .
C42 C 0.8386(3) 0.15812(13) 0.5568(2) 0.0353(9) Uani 1 1 d . . .
C43 C 0.9324(3) 0.16918(12) 0.6046(2) 0.0349(9) Uani 1 1 d . . .
H43 H 0.9613 0.1508 0.6463 0.042 Uiso 1 1 calc R . .
C44 C 0.9830(2) 0.20668(12) 0.59147(18) 0.0271(8) Uani 1 1 d . . .
C45 C 0.9370(2) 0.23600(11) 0.52934(18) 0.0248(7) Uani 1 1 d . . .
C46 C 1.0852(2) 0.21498(12) 0.6418(2) 0.0304(8) Uani 1 1 d . . .
C47 C 0.6299(2) 0.66484(11) 0.33857(19) 0.0272(8) Uani 1 1 d . . .
C48 C 0.5946(2) 0.61866(11) 0.35110(18) 0.0259(7) Uani 1 1 d . . .
C49 C 0.6440(3) 0.59469(12) 0.4147(2) 0.0337(9) Uani 1 1 d . . .
H49 H 0.6988 0.6077 0.4498 0.040 Uiso 1 1 calc R . .
C50 C 0.6131(3) 0.55067(12) 0.4279(2) 0.0329(8) Uani 1 1 d . . .
C51 C 0.6652(3) 0.52622(14) 0.4937(2) 0.0445(10) Uani 1 1 d . . .
H51 H 0.7175 0.5400 0.5301 0.053 Uiso 1 1 calc R . .
C52 C 0.6392(3) 0.48256(14) 0.5041(3) 0.0524(12) Uani 1 1 d . . .
H52 H 0.6768 0.4658 0.5455 0.063 Uiso 1 1 calc R . .
C53 C 0.5567(3) 0.46317(13) 0.4529(2) 0.0483(11) Uani 1 1 d . . .
H53 H 0.5381 0.4337 0.4613 0.058 Uiso 1 1 calc R . .
C54 C 0.5019(3) 0.48642(12) 0.3903(2) 0.0414(10) Uani 1 1 d . . .
H54 H 0.4461 0.4727 0.3576 0.050 Uiso 1 1 calc R . .
C55 C 0.5287(3) 0.53117(11) 0.3744(2) 0.0319(8) Uani 1 1 d . . .
C56 C 0.4756(2) 0.55621(11) 0.30905(19) 0.0275(8) Uani 1 1 d . . .
C57 C 0.5093(2) 0.59924(11) 0.29804(18) 0.0274(8) Uani 1 1 d D . .
C58 C 0.3800(2) 0.53857(11) 0.2535(2) 0.0319(8) Uani 1 1 d . . .
H58A H 0.3312 0.5344 0.2807 0.038 Uiso 1 1 calc R . .
H58B H 0.3546 0.5617 0.2152 0.038 Uiso 1 1 calc R . .
C59 C 0.3887(2) 0.49438(11) 0.2136(2) 0.0296(8) Uani 1 1 d . A .
C60 C 0.4530(3) 0.49092(12) 0.1677(2) 0.0368(9) Uani 1 1 d . . .
C61 C 0.5186(6) 0.5264(3) 0.1606(5) 0.0355(12) Uani 0.522(4) 1 d P A 1
H61 H 0.5091 0.5549 0.1793 0.043 Uiso 0.522(4) 1 calc PR A 1
C61A C 0.4953(7) 0.5314(3) 0.1443(6) 0.0355(12) Uani 0.478(4) 1 d P A 2
H61A H 0.4867 0.5599 0.1634 0.043 Uiso 0.478(4) 1 calc PR A 2
C62 C 0.5935(6) 0.5223(3) 0.1289(5) 0.0505(17) Uani 0.522(4) 1 d P A 1
H62 H 0.6301 0.5477 0.1233 0.061 Uiso 0.522(4) 1 calc PR A 1
C62A C 0.5484(7) 0.5263(3) 0.0932(5) 0.0505(17) Uani 0.478(4) 1 d P A 2
H62A H 0.5844 0.5509 0.0835 0.061 Uiso 0.478(4) 1 calc PR A 2
C63 C 0.6158(7) 0.4795(3) 0.1045(5) 0.0611(18) Uani 0.522(4) 1 d P A 1
H63 H 0.6680 0.4760 0.0835 0.073 Uiso 0.522(4) 1 calc PR A 1
C63A C 0.5502(7) 0.4850(3) 0.0551(6) 0.0611(18) Uani 0.478(4) 1 d P A 2
H63A H 0.5843 0.4834 0.0189 0.073 Uiso 0.478(4) 1 calc PR A 2
C64 C 0.5595(6) 0.4430(3) 0.1122(5) 0.0535(17) Uani 0.522(4) 1 d P A 1
H64 H 0.5725 0.4146 0.0949 0.064 Uiso 0.522(4) 1 calc PR A 1
C64A C 0.5038(7) 0.4482(3) 0.0700(6) 0.0535(17) Uani 0.478(4) 1 d P A 2
H64A H 0.5077 0.4213 0.0445 0.064 Uiso 0.478(4) 1 calc PR A 2
C65 C 0.4823(5) 0.4476(3) 0.1457(4) 0.0308(12) Uani 0.522(4) 1 d P A 1
C65A C 0.4466(5) 0.4486(3) 0.1254(5) 0.0308(12) Uani 0.478(4) 1 d P A 2
C66 C 0.4252(5) 0.4093(3) 0.1581(4) 0.0314(11) Uani 0.522(4) 1 d PU A 1
H66 H 0.4396 0.3806 0.1425 0.038 Uiso 0.522(4) 1 calc PR A 1
C66A C 0.4009(6) 0.4114(3) 0.1405(5) 0.0314(11) Uani 0.478(4) 1 d PU A 2
H66A H 0.4044 0.3843 0.1155 0.038 Uiso 0.478(4) 1 calc PR A 2
C67 C 0.3487(3) 0.41323(11) 0.19263(19) 0.0283(8) Uani 1 1 d . . .
C68 C 0.3357(2) 0.45643(12) 0.2234(2) 0.0327(8) Uani 1 1 d . A .
C69 C 0.2998(2) 0.37104(11) 0.21006(19) 0.0274(8) Uani 1 1 d . A .
C70 C 0.5534(3) 0.25038(15) 0.1712(2) 0.0460(11) Uani 1 1 d . . .
H70 H 0.5608 0.2199 0.1851 0.055 Uiso 1 1 calc R . .
C71 C 0.6251(4) 0.31900(19) 0.1439(3) 0.0803(15) Uani 1 1 d U . .
H71A H 0.5693 0.3233 0.0997 0.121 Uiso 1 1 calc R . .
H71B H 0.6851 0.3277 0.1328 0.121 Uiso 1 1 calc R . .
H71C H 0.6168 0.3374 0.1846 0.121 Uiso 1 1 calc R . .
C72 C 0.7290(3) 0.25092(19) 0.1846(3) 0.0737(16) Uani 1 1 d . . .
H72A H 0.7258 0.2205 0.2029 0.111 Uiso 1 1 calc R . .
H72B H 0.7749 0.2686 0.2232 0.111 Uiso 1 1 calc R . .
H72C H 0.7511 0.2500 0.1401 0.111 Uiso 1 1 calc R . .
C73 C 0.8080(4) 0.39294(18) 0.2932(3) 0.0662(14) Uiso 1 1 d . . .
H73 H 0.8474 0.4114 0.2729 0.079 Uiso 1 1 calc R . .
C74 C 0.7099(5) 0.4603(2) 0.2991(4) 0.100(2) Uiso 1 1 d . . .
H74A H 0.6428 0.4657 0.2996 0.150 Uiso 1 1 calc R . .
H74B H 0.7178 0.4705 0.2517 0.150 Uiso 1 1 calc R . .
H74C H 0.7550 0.4765 0.3401 0.150 Uiso 1 1 calc R . .
C75 C 0.6639(5) 0.3862(3) 0.3379(4) 0.117(3) Uiso 1 1 d . . .
H75A H 0.6785 0.3920 0.3913 0.176 Uiso 1 1 calc R . .
H75B H 0.6717 0.3544 0.3297 0.176 Uiso 1 1 calc R . .
H75C H 0.5967 0.3952 0.3126 0.176 Uiso 1 1 calc R . .
C76 C 0.1425(9) 0.37742(17) 0.0212(6) 0.189(5) Uiso 1 1 d D . .
H76 H 0.0976 0.3590 0.0359 0.226 Uiso 1 1 calc R . .
C77 C 0.1956(5) 0.45922(19) 0.0015(4) 0.122(3) Uiso 1 1 d D . .
H77A H 0.1501 0.4810 -0.0288 0.183 Uiso 1 1 calc R . .
H77B H 0.2360 0.4468 -0.0275 0.183 Uiso 1 1 calc R . .
H77C H 0.2374 0.4739 0.0460 0.183 Uiso 1 1 calc R . .
C78 C 0.0673(6) 0.4358(3) 0.0601(5) 0.154(4) Uiso 1 1 d D . .
H78A H 0.0998 0.4451 0.1113 0.231 Uiso 1 1 calc R . .
H78B H 0.0249 0.4102 0.0605 0.231 Uiso 1 1 calc R . .
H78C H 0.0280 0.4605 0.0329 0.231 Uiso 1 1 calc R . .
O25 O 0.4266(10) 0.2903(5) -0.0337(7) 0.175(3) Uani 0.512(7) 1 d PU B 1
O25A O 0.3764(10) 0.3301(5) -0.0257(8) 0.175(3) Uani 0.488(7) 1 d PU B 2
H15 H 0.4885(14) 0.6473(5) 0.240(2) 0.053(13) Uiso 1 1 d 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
Dy1 O1 2.396(2) 2 ?
Dy1 O2 2.488(2) 2 ?
Dy1 O4 2.298(2) . ?
Dy1 O7 2.337(2) . ?
Dy1 O10 2.286(2) 4_465 ?
Dy1 O17 2.344(3) . ?
Dy1 O20W 2.449(2) . ?
Dy1 O21W 2.420(3) . ?
Dy1 C1 2.819(3) 2 ?
Dy2 O5 2.347(2) . ?
Dy2 O8 2.320(2) . ?
Dy2 O11 2.355(2) 4_465 ?
Dy2 O13 2.432(2) 2_645 ?
Dy2 O14 2.476(2) 2_645 ?
Dy2 O16 2.314(2) . ?
Dy2 O19 2.347(3) . ?
Dy2 O22W 2.476(3) . ?
Dy2 C47 2.841(3) 2_645 ?
O1 Dy1 2.396(2) 2_545 ?
O1 C1 1.257(4) . ?
O2 Dy1 2.488(2) 2_545 ?
O2 C1 1.282(4) . ?
O3 C11 1.370(4) . ?
O4 C23 1.247(4) . ?
O5 C23 1.274(4) . ?
O6 C22 1.376(4) . ?
O7 C24 1.254(4) . ?
O8 C24 1.268(4) . ?
O9 C34 1.367(4) . ?
O10 Dy1 2.286(2) 4_666 ?
O10 C46 1.244(4) . ?
O11 Dy2 2.355(2) 4_666 ?
O11 C46 1.272(4) . ?
O12 C45 1.365(4) . ?
O13 Dy2 2.432(2) 2_655 ?
O13 C47 1.272(4) . ?
O14 Dy2 2.476(2) 2_655 ?
O14 C47 1.266(4) . ?
O15 C57 1.366(4) . ?
O16 C69 1.245(4) . ?
O17 C69 1.274(4) . ?
O18 C68 1.354(4) . ?
O19 C70 1.248(5) . ?
O23 C73 1.226(6) . ?
O24 C76 1.152(13) . ?
N1 C70 1.289(5) . ?
N1 C71 1.449(6) . ?
N1 C72 1.447(5) . ?
N2 C73 1.313(6) . ?
N2 C74 1.452(7) . ?
N2 C75 1.441(8) . ?
N3 C76 1.345(4) . ?
N3 C77 1.443(6) . ?
N3 C78 1.432(7) . ?
C1 Dy1 2.819(3) 2_545 ?
C1 C2 1.493(5) . ?
C2 C3 1.372(5) . ?
C2 C11 1.418(5) . ?
C3 C4 1.408(5) . ?
C4 C5 1.414(5) . ?
C4 C9 1.420(5) . ?
C5 C6 1.366(6) . ?
C6 C7 1.397(6) . ?
C7 C8 1.360(6) . ?
C8 C9 1.432(5) . ?
C9 C10 1.420(5) . ?
C10 C11 1.384(5) . ?
C10 C12 1.514(5) . ?
C12 C13 1.523(5) . ?
C13 C14 1.430(5) . ?
C13 C22 1.374(5) . ?
C14 C15 1.421(5) . ?
C14 C19 1.421(5) . ?
C15 C16 1.361(5) . ?
C16 C17 1.399(6) . ?
C17 C18 1.355(6) . ?
C18 C19 1.415(5) . ?
C19 C20 1.405(5) . ?
C20 C21 1.371(5) . ?
C21 C22 1.420(5) . ?
C21 C23 1.490(4) . ?
C24 C25 1.505(4) . ?
C25 C26 1.376(5) . ?
C25 C34 1.426(5) . ?
C26 C27 1.407(4) . ?
C27 C28 1.409(5) . ?
C27 C32 1.433(5) . ?
C28 C29 1.357(5) . ?
C29 C30 1.406(6) . ?
C30 C31 1.364(5) . ?
C31 C32 1.421(4) . ?
C32 C33 1.421(5) . ?
C33 C34 1.380(4) . ?
C33 C35 1.525(4) . ?
C35 C36 1.522(5) . ?
C36 C37 1.431(5) . ?
C36 C45 1.384(4) . ?
C37 C38 1.415(5) . ?
C37 C42 1.426(5) . ?
C38 C39 1.366(6) . ?
C39 C40 1.369(7) . ?
C40 C41 1.360(6) . ?
C41 C42 1.417(5) . ?
C42 C43 1.393(5) . ?
C43 C44 1.372(5) . ?
C44 C45 1.427(4) . ?
C44 C46 1.485(4) . ?
C47 Dy2 2.841(3) 2_655 ?
C47 C48 1.487(4) . ?
C48 C49 1.370(5) . ?
C48 C57 1.426(4) . ?
C49 C50 1.409(5) . ?
C50 C51 1.416(5) . ?
C50 C55 1.422(5) . ?
C51 C52 1.363(6) . ?
C52 C53 1.386(6) . ?
C53 C54 1.367(5) . ?
C54 C55 1.423(5) . ?
C55 C56 1.422(5) . ?
C56 C57 1.386(4) . ?
C56 C58 1.523(4) . ?
C58 C59 1.516(5) . ?
C59 C60 1.411(5) . ?
C59 C68 1.383(5) . ?
C60 C61 1.424(9) . ?
C60 C61A 1.452(11) . ?
C60 C65 1.433(8) . ?
C60 C65A 1.457(10) . ?
C61 C62 1.352(13) . ?
C61A C62A 1.372(15) . ?
C62 C63 1.402(12) . ?
C62A C63A 1.405(14) . ?
C63 C64 1.366(12) . ?
C63A C64A 1.334(13) . ?
C64 C65 1.405(11) . ?
C64A C65A 1.472(13) . ?
C65 C66 1.439(11) . ?
C65A C66A 1.338(13) . ?
C66 C67 1.407(9) . ?
C66A C67 1.371(11) . ?
C67 C68 1.425(5) . ?
C67 C69 1.498(5) . ?

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
O1 Dy1 O2 53.35(8) 2 2 ?
O1 Dy1 O20W 75.89(8) 2 . ?
O1 Dy1 O21W 84.58(9) 2 . ?
O1 Dy1 C1 26.32(9) 2 2 ?
O2 Dy1 C1 27.04(9) 2 2 ?
O4 Dy1 O1 144.98(9) . 2 ?
O4 Dy1 O2 141.99(8) . 2 ?
O4 Dy1 O7 80.88(9) . . ?
O4 Dy1 O17 128.59(9) . . ?
O4 Dy1 O20W 69.86(9) . . ?
O4 Dy1 O21W 77.72(9) . . ?
O4 Dy1 C1 153.55(10) . 2 ?
O7 Dy1 O1 97.59(9) . 2 ?
O7 Dy1 O2 136.62(9) . 2 ?
O7 Dy1 O17 72.91(9) . . ?
O7 Dy1 O20W 75.38(9) . . ?
O7 Dy1 O21W 144.60(10) . . ?
O7 Dy1 C1 118.79(9) . 2 ?
O10 Dy1 O1 134.74(9) 4_465 2 ?
O10 Dy1 O2 82.18(9) 4_465 2 ?
O10 Dy1 O4 75.48(9) 4_465 . ?
O10 Dy1 O7 112.23(10) 4_465 . ?
O10 Dy1 O17 74.87(9) 4_465 . ?
O10 Dy1 O20W 142.84(9) 4_465 . ?
O10 Dy1 O21W 89.26(10) 4_465 . ?
O10 Dy1 C1 108.97(10) 4_465 2 ?
O17 Dy1 O1 82.90(9) . 2 ?
O17 Dy1 O2 72.11(9) . 2 ?
O17 Dy1 O20W 138.79(9) . . ?
O17 Dy1 O21W 141.92(9) . . ?
O17 Dy1 C1 76.63(10) . 2 ?
O20W Dy1 O2 118.23(9) . 2 ?
O20W Dy1 C1 96.77(9) . 2 ?
O21W Dy1 O2 71.56(9) . 2 ?
O21W Dy1 O20W 70.91(9) . . ?
O21W Dy1 C1 76.30(10) . 2 ?
O5 Dy2 O11 75.15(9) . 4_465 ?
O5 Dy2 O13 82.54(9) . 2_645 ?
O5 Dy2 O14 71.31(8) . 2_645 ?
O5 Dy2 O22W 140.66(9) . . ?
O5 Dy2 C47 76.51(9) . 2_645 ?
O8 Dy2 O5 76.50(9) . . ?
O8 Dy2 O11 131.82(9) . 4_465 ?
O8 Dy2 O13 130.98(8) . 2_645 ?
O8 Dy2 O14 78.40(8) . 2_645 ?
O8 Dy2 O19 80.02(9) . . ?
O8 Dy2 O22W 142.08(9) . . ?
O8 Dy2 C47 104.79(9) . 2_645 ?
O11 Dy2 O13 82.33(9) 4_465 2_645 ?
O11 Dy2 O14 126.17(9) 4_465 2_645 ?
O11 Dy2 O22W 70.62(10) 4_465 . ?
O11 Dy2 C47 105.39(9) 4_465 2_645 ?
O13 Dy2 O14 52.87(7) 2_645 2_645 ?
O13 Dy2 O22W 74.34(8) 2_645 . ?
O13 Dy2 C47 26.48(8) 2_645 2_645 ?
O14 Dy2 C47 26.43(8) 2_645 2_645 ?
O16 Dy2 O5 120.81(9) . . ?
O16 Dy2 O8 75.66(9) . . ?
O16 Dy2 O11 86.60(9) . 4_465 ?
O16 Dy2 O13 150.50(8) . 2_645 ?
O16 Dy2 O14 147.01(8) . 2_645 ?
O16 Dy2 O19 82.97(10) . . ?
O16 Dy2 O22W 76.20(9) . . ?
O16 Dy2 C47 161.52(10) . 2_645 ?
O19 Dy2 O5 140.13(9) . . ?
O19 Dy2 O11 142.35(10) . 4_465 ?
O19 Dy2 O13 89.26(9) . 2_645 ?
O19 Dy2 O14 72.71(9) . 2_645 ?
O19 Dy2 O22W 71.77(9) . . ?
O19 Dy2 C47 78.98(10) . 2_645 ?
O22W Dy2 O14 115.14(9) . 2_645 ?
O22W Dy2 C47 94.30(9) . 2_645 ?
C1 O1 Dy1 96.0(2) . 2_545 ?
C1 O2 Dy1 91.02(19) . 2_545 ?
C23 O4 Dy1 141.1(2) . . ?
C23 O5 Dy2 145.5(2) . . ?
C24 O7 Dy1 140.3(2) . . ?
C24 O8 Dy2 149.9(2) . . ?
C46 O10 Dy1 171.8(2) . 4_666 ?
C46 O11 Dy2 120.3(2) . 4_666 ?
C47 O13 Dy2 95.01(19) . 2_655 ?
C47 O14 Dy2 93.09(18) . 2_655 ?
C69 O16 Dy2 149.6(2) . . ?
C69 O17 Dy1 139.2(2) . . ?
C70 O19 Dy2 143.1(3) . . ?
C70 N1 C71 120.2(4) . . ?
C70 N1 C72 123.4(4) . . ?
C72 N1 C71 116.4(4) . . ?
C73 N2 C74 123.2(5) . . ?
C73 N2 C75 121.9(5) . . ?
C75 N2 C74 114.8(5) . . ?
C76 N3 C77 134.9(8) . . ?
C76 N3 C78 107.6(8) . . ?
C78 N3 C77 117.5(5) . . ?
O1 C1 Dy1 57.71(17) . 2_545 ?
O1 C1 O2 119.6(3) . . ?
O1 C1 C2 121.3(3) . . ?
O2 C1 Dy1 61.93(17) . 2_545 ?
O2 C1 C2 119.1(3) . . ?
C2 C1 Dy1 178.3(3) . 2_545 ?
C3 C2 C1 119.8(3) . . ?
C3 C2 C11 118.6(3) . . ?
C11 C2 C1 121.6(3) . . ?
C2 C3 C4 122.1(3) . . ?
C3 C4 C5 121.8(3) . . ?
C3 C4 C9 118.2(3) . . ?
C5 C4 C9 120.0(3) . . ?
C6 C5 C4 120.9(4) . . ?
C5 C6 C7 119.3(4) . . ?
C8 C7 C6 121.5(4) . . ?
C7 C8 C9 120.9(4) . . ?
C4 C9 C8 117.0(3) . . ?
C10 C9 C4 120.5(3) . . ?
C10 C9 C8 122.5(3) . . ?
C9 C10 C12 121.1(3) . . ?
C11 C10 C9 118.3(3) . . ?
C11 C10 C12 120.6(3) . . ?
O3 C11 C2 119.5(3) . . ?
O3 C11 C10 118.4(3) . . ?
C10 C11 C2 122.0(3) . . ?
C10 C12 C13 114.3(3) . . ?
C14 C13 C12 121.0(3) . . ?
C22 C13 C12 120.3(3) . . ?
C22 C13 C14 118.6(3) . . ?
C15 C14 C13 122.9(3) . . ?
C15 C14 C19 117.2(3) . . ?
C19 C14 C13 119.9(3) . . ?
C16 C15 C14 121.6(4) . . ?
C15 C16 C17 120.9(4) . . ?
C18 C17 C16 119.4(4) . . ?
C17 C18 C19 121.6(4) . . ?
C18 C19 C14 119.3(3) . . ?
C20 C19 C14 118.9(3) . . ?
C20 C19 C18 121.7(3) . . ?
C21 C20 C19 121.4(3) . . ?
C20 C21 C22 119.3(3) . . ?
C20 C21 C23 118.6(3) . . ?
C22 C21 C23 122.0(3) . . ?
O6 C22 C21 119.6(3) . . ?
C13 C22 O6 118.6(3) . . ?
C13 C22 C21 121.8(3) . . ?
O4 C23 O5 124.2(3) . . ?
O4 C23 C21 118.2(3) . . ?
O5 C23 C21 117.6(3) . . ?
O7 C24 O8 124.0(3) . . ?
O7 C24 C25 119.0(3) . . ?
O8 C24 C25 117.1(3) . . ?
C26 C25 C24 119.5(3) . . ?
C26 C25 C34 118.4(3) . . ?
C34 C25 C24 122.0(3) . . ?
C25 C26 C27 121.9(3) . . ?
C26 C27 C28 121.7(3) . . ?
C26 C27 C32 118.9(3) . . ?
C28 C27 C32 119.4(3) . . ?
C29 C28 C27 121.5(4) . . ?
C28 C29 C30 119.7(4) . . ?
C31 C30 C29 120.8(3) . . ?
C30 C31 C32 121.3(3) . . ?
C31 C32 C27 117.3(3) . . ?
C33 C32 C27 119.5(3) . . ?
C33 C32 C31 123.2(3) . . ?
C32 C33 C35 120.9(3) . . ?
C34 C33 C32 119.1(3) . . ?
C34 C33 C35 119.9(3) . . ?
O9 C34 C25 119.9(3) . . ?
O9 C34 C33 118.1(3) . . ?
C33 C34 C25 122.0(3) . . ?
C36 C35 C33 114.3(3) . . ?
C37 C36 C35 121.1(3) . . ?
C45 C36 C35 120.5(3) . . ?
C45 C36 C37 118.4(3) . . ?
C38 C37 C36 122.0(3) . . ?
C38 C37 C42 118.3(3) . . ?
C42 C37 C36 119.6(3) . . ?
C39 C38 C37 120.3(4) . . ?
C38 C39 C40 121.3(4) . . ?
C41 C40 C39 120.9(4) . . ?
C40 C41 C42 120.5(4) . . ?
C41 C42 C37 118.6(3) . . ?
C43 C42 C37 119.3(3) . . ?
C43 C42 C41 122.0(4) . . ?
C44 C43 C42 121.4(3) . . ?
C43 C44 C45 119.4(3) . . ?
C43 C44 C46 118.7(3) . . ?
C45 C44 C46 122.0(3) . . ?
O12 C45 C36 118.4(3) . . ?
O12 C45 C44 120.7(3) . . ?
C36 C45 C44 120.9(3) . . ?
O10 C46 O11 122.5(3) . . ?
O10 C46 C44 120.0(3) . . ?
O11 C46 C44 117.5(3) . . ?
O13 C47 Dy2 58.51(16) . 2_655 ?
O13 C47 C48 121.3(3) . . ?
O14 C47 Dy2 60.48(16) . 2_655 ?
O14 C47 O13 118.8(3) . . ?
O14 C47 C48 119.8(3) . . ?
C48 C47 Dy2 175.4(2) . 2_655 ?
C49 C48 C47 119.6(3) . . ?
C49 C48 C57 119.6(3) . . ?
C57 C48 C47 120.7(3) . . ?
C48 C49 C50 121.0(3) . . ?
C49 C50 C51 120.3(3) . . ?
C49 C50 C55 119.2(3) . . ?
C51 C50 C55 120.4(3) . . ?
C52 C51 C50 120.4(4) . . ?
C51 C52 C53 119.8(4) . . ?
C54 C53 C52 121.4(4) . . ?
C53 C54 C55 121.3(4) . . ?
C50 C55 C54 116.6(3) . . ?
C50 C55 C56 120.2(3) . . ?
C56 C55 C54 123.3(3) . . ?
C55 C56 C58 122.3(3) . . ?
C57 C56 C55 118.6(3) . . ?
C57 C56 C58 119.0(3) . . ?
O15 C57 C48 120.2(3) . . ?
O15 C57 C56 118.4(3) . . ?
C56 C57 C48 121.3(3) . . ?
C59 C58 C56 115.9(3) . . ?
C60 C59 C58 120.7(3) . . ?
C68 C59 C58 120.2(3) . . ?
C68 C59 C60 119.1(3) . . ?
C59 C60 C61 123.3(5) . . ?
C59 C60 C61A 120.6(5) . . ?
C59 C60 C65 121.4(4) . . ?
C59 C60 C65A 115.6(4) . . ?
C61 C60 C61A 16.0(5) . . ?
C61 C60 C65 112.2(5) . . ?
C61 C60 C65A 121.0(6) . . ?
C61A C60 C65A 120.5(6) . . ?
C65 C60 C61A 117.9(6) . . ?
C65 C60 C65A 21.2(4) . . ?
C62 C61 C60 125.6(7) . . ?
C62A C61A C60 117.8(8) . . ?
C61 C62 C63 119.6(8) . . ?
C61A C62A C63A 122.2(9) . . ?
C64 C63 C62 118.7(8) . . ?
C64A C63A C62A 121.0(9) . . ?
C63 C64 C65 121.1(8) . . ?
C63A C64A C65A 122.4(9) . . ?
C60 C65 C66 115.5(6) . . ?
C64 C65 C60 122.2(7) . . ?
C64 C65 C66 122.2(7) . . ?
C60 C65A C64A 114.7(7) . . ?
C66A C65A C60 122.9(8) . . ?
C66A C65A C64A 122.1(9) . . ?
C67 C66 C65 122.9(7) . . ?
C65A C66A C67 120.2(8) . . ?
C66 C67 C68 117.3(4) . . ?
C66 C67 C69 119.3(4) . . ?
C66A C67 C66 16.6(5) . . ?
C66A C67 C68 118.1(5) . . ?
C66A C67 C69 119.5(5) . . ?
C68 C67 C69 122.1(3) . . ?
O18 C68 C59 117.6(3) . . ?
O18 C68 C67 120.4(3) . . ?
C59 C68 C67 121.9(3) . . ?
O16 C69 O17 124.1(3) . . ?
O16 C69 C67 119.4(3) . . ?
O17 C69 C67 116.5(3) . . ?
O19 C70 N1 125.7(4) . . ?
O23 C73 N2 125.3(5) . . ?
O24 C76 N3 113.8(10) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_database_code_depnum_ccdc_archive 'CCDC 997901'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  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.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_dy-pna21
_audit_creation_date             2014-10-26
_audit_creation_method           
;
  Olex2 1.2
  (compiled 2012.05.09 svn.r2324, GUI svn.r4230)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C75 H60 Dy2 N2 O22, 3(C3 H7 N O), O'
_chemical_formula_sum            'C84 H83 Dy2 N5 O26'
_chemical_formula_weight         1903.54
_chemical_absolute_configuration ad
_chemical_melting_point          ?
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'
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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, z+1/2'
3 '-x+1/2, y+1/2, z+1/2'
4 'x+1/2, -y+1/2, z'

_cell_length_a                   19.1237(3)
_cell_length_b                   14.4603(2)
_cell_length_c                   30.6247(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     8468.8(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9085
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      29.1774
_cell_measurement_theta_min      3.0785
_exptl_absorpt_coefficient_mu    1.831
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.71030
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.491
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3840
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0302
_diffrn_reflns_av_unetI/netI     0.0467
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            24916
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         3.08
_diffrn_ambient_temperature      291.15
_diffrn_detector_area_resol_mean 16.2312
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   54.00   92.00   0.5000   13.0000
omega____ theta____ kappa____ phi______ frames
    -       19.7885  178.0000  150.0000 76

#__ type_ start__ end____ width___ exp.time_
  2 omega  -38.00   79.00   0.5000   13.0000
omega____ theta____ kappa____ phi______ frames
    -       19.7885    0.0000  -60.0000 234
;
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0158706000
_diffrn_orient_matrix_UB_12      0.0443468000
_diffrn_orient_matrix_UB_13      0.0000498000
_diffrn_orient_matrix_UB_21      0.0249091000
_diffrn_orient_matrix_UB_22      -0.0154826000
_diffrn_orient_matrix_UB_23      -0.0155253000
_diffrn_orient_matrix_UB_31      -0.0224403000
_diffrn_orient_matrix_UB_32      0.0141450000
_diffrn_orient_matrix_UB_33      -0.0171823000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_source_current           n/a
_diffrn_source_voltage           n/a
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                13436
_reflns_number_total             14672
_reflns_odcompleteness_completeness 99.70
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    
;
XS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_refine_diff_density_max         0.861
_refine_diff_density_min         -0.734
_refine_diff_density_rms         0.093
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(8)
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1015
_refine_ls_number_reflns         14672
_refine_ls_number_restraints     127
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0388
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.028
_refine_ls_shift/su_mean         0.007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0483P)²+6.8098P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0935
_refine_ls_wR_factor_ref         0.0974
_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. 
 The anisotropic displacement parameters of N1 C71A C71 C72 C72A N2 C74 
 C74A C75A C75 and lattice water O26 are large, we model these as 
 disordered. EADP constrain command is used to give two distroded atoms
 the same anisotropic displacement parameters. The DFIX command is 
 used to fix the distances between two named atoms: DFIX 1.46 N5 C83;
 DFIX 1.46 N5 C84; DFIX 1.46 N1 C72; DFIX 1.46 N1 C71; DFIX 1.46 N2 C75; 
 DFIX 1.46 N2 C74; DFIX 1.36 C82 N5; DFIX 1.36 C70 N1; DFIX 1.36 C73 N2;
 DFIX 1.46 N1 C71A; DFIX 1.46 N1 C72A; DFIX 1.46 N2 C74A; 
 DFIX 1.46 N2 C75A; DFIX 2.50 C75A C74A; DFIX 2.50 C74 C75; 
 DFIX 2.50 C71 C72. DFIX 2.50 C72A C71A; DFIX 1.45 C13 C14;
 DFIX 1.35 C76 N3; DFIX 1.46 C78 N3; DFIX 1.46 N3 C77; DFIX 1.36 N4 C79;
 DFIX 1.46 N4 C81; DFIX 1.46 N4 C80. The DELU command is used to restrain 
 the large differences between anisotropic displacement parameters along
 chemical bonds between two atoms, such as: O19 C70; O2 C22; N1 C71A; 
 O20 C73; C36 C41; C51 C52. The ISOR command is used to resolve the
 PLAT 220 alert in checkcif report, the atoms with relative large Ueq 
 ranges (N1 C71A C71 C72 C72A C74A C74 C75A C75 N2) are restrained to 
 behave in isotropic manner. The SIMU command is used to restrain all
 the named atoms within a certain distance to having the same displacement
 parameters (SIMU 1.7 N2 C75 C75A; SIMU 1.7 N1 C72A C72).
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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 0.358920(9) 0.537127(11) 0.536606(6) 0.02602(4) Uani 1 1 d . . .
Dy2 Dy 0.313808(9) 0.474681(11) 0.412364(7) 0.02774(4) Uani 1 1 d . . .
O1 O 0.33700(16) 0.63139(19) 0.42085(9) 0.0364(8) Uani 1 1 d . . .
O2 O 0.37956(14) 0.6603(2) 0.48754(9) 0.0330(7) Uani 1 1 d U . .
O3 O 0.40975(17) 0.8316(2) 0.50800(9) 0.0407(8) Uani 1 1 d . . .
H3 H 0.4008 0.7771 0.5126 0.061 Uiso 1 1 calc R . .
O4 O 0.76260(14) 0.9706(2) 0.48948(10) 0.0338(8) Uani 1 1 d . . .
O5 O 0.69696(15) 0.9802(2) 0.43130(11) 0.0418(9) Uani 1 1 d . . .
O6 O 0.56314(16) 0.9934(3) 0.43756(10) 0.0449(9) Uani 1 1 d . . .
H6 H 0.6016 0.9883 0.4259 0.067 Uiso 1 1 calc R . .
O7 O 0.33201(16) 0.3815(2) 0.52331(10) 0.0393(8) Uani 1 1 d . . .
O8 O 0.29265(16) 0.3463(2) 0.45666(10) 0.0380(8) Uani 1 1 d . . .
O9 O 0.26127(18) 0.1758(2) 0.43896(10) 0.0448(9) Uani 1 1 d . . .
H9 H 0.2423 0.2260 0.4353 0.067 Uiso 1 1 calc R . .
O10 O -0.08704(15) 0.0199(2) 0.45296(11) 0.0381(8) Uani 1 1 d . . .
O11 O -0.02495(15) -0.0016(2) 0.51170(10) 0.0396(8) Uani 1 1 d . . .
O12 O 0.11005(15) 0.0057(2) 0.50871(10) 0.0397(8) Uani 1 1 d . . .
H12 H 0.0717 0.0129 0.5201 0.060 Uiso 1 1 calc R . .
O13 O 0.3926(3) 0.4305(3) 0.30177(12) 0.0861(15) Uani 1 1 d . . .
O14 O 0.3402(2) 0.5328(2) 0.34455(11) 0.0493(10) Uani 1 1 d . . .
O15 O 0.29410(19) 0.6851(2) 0.31325(10) 0.0490(9) Uani 1 1 d . . .
H15 H 0.2957 0.6417 0.3304 0.073 Uiso 1 1 calc R . .
O16 O 0.08306(16) 0.9462(2) 0.09373(10) 0.0390(8) Uani 1 1 d . . .
O17 O 0.19057(16) 0.9905(2) 0.10618(11) 0.0397(8) Uani 1 1 d . . .
O18 O 0.25302(17) 0.9369(2) 0.17551(11) 0.0523(9) Uani 1 1 d . . .
H18 H 0.2500 0.9569 0.1505 0.078 Uiso 1 1 calc R . .
O19 O 0.42963(17) 0.6431(2) 0.57553(11) 0.0481(9) Uani 1 1 d U . .
O20 O 0.2340(2) 0.3993(3) 0.36752(14) 0.0822(14) Uani 1 1 d U . .
O21W O 0.28080(16) 0.6571(2) 0.55964(10) 0.0441(9) Uani 1 1 d . . .
H21A H 0.2734 0.6983 0.5382 0.066 Uiso 1 1 d R . .
H21B H 0.2979 0.6887 0.5825 0.066 Uiso 1 1 d R . .
O22W O 0.37879(19) 0.3534(2) 0.37930(11) 0.0511(10) Uani 1 1 d . . .
H22A H 0.4243 0.3469 0.3902 0.077 Uiso 1 1 d R . .
H22B H 0.3844 0.3620 0.3493 0.077 Uiso 1 1 d R . .
O23 O 0.4885(3) 0.2648(4) 0.41789(19) 0.1042(15) Uiso 1 1 d . . .
O24 O 0.6989(3) 0.7487(4) 0.50157(19) 0.1151(18) Uiso 1 1 d . . .
O25 O 0.7588(4) 0.7860(6) 0.6443(3) 0.172(3) Uiso 1 1 d . . .
O26 O 0.4521(8) 0.7014(14) 0.7077(5) 0.212(5) Uiso 0.580(9) 1 d P A 1
O26A O 0.5265(12) 0.7658(17) 0.7392(7) 0.212(5) Uiso 0.420(9) 1 d P A 2
N1 N 0.5348(2) 0.6998(3) 0.59746(19) 0.0993(17) Uani 1 1 d DU . .
N2 N 0.1474(2) 0.3179(3) 0.33734(18) 0.0844(15) Uani 1 1 d DU . .
N3 N 0.5282(2) 0.2530(4) 0.48552(14) 0.0764(15) Uiso 1 1 d D . .
N4 N 0.6368(2) 0.7484(4) 0.43978(14) 0.0677(13) Uiso 1 1 d D . .
N5 N 0.7136(5) 0.7774(5) 0.7161(2) 0.180(4) Uiso 1 1 d D . .
C1 C 0.4053(2) 0.8490(3) 0.46419(13) 0.0280(10) Uani 1 1 d . . .
C2 C 0.3846(2) 0.7801(3) 0.43412(13) 0.0282(10) Uani 1 1 d . . .
C3 C 0.3825(2) 0.8015(3) 0.39137(14) 0.0329(11) Uani 1 1 d . . .
H3A H 0.3707 0.7555 0.3715 0.039 Uiso 1 1 calc R . .
C4 C 0.3975(2) 0.8903(3) 0.37573(14) 0.0318(10) Uani 1 1 d . . .
C5 C 0.3935(3) 0.9103(3) 0.33020(15) 0.0432(13) Uani 1 1 d . . .
H5 H 0.3837 0.8631 0.3105 0.052 Uiso 1 1 calc R . .
C6 C 0.4039(3) 0.9974(4) 0.31555(19) 0.0594(16) Uani 1 1 d . . .
H6A H 0.4017 1.0100 0.2858 0.071 Uiso 1 1 calc R . .
C7 C 0.4181(3) 1.0691(4) 0.3456(2) 0.0622(16) Uani 1 1 d . . .
H7 H 0.4227 1.1294 0.3354 0.075 Uiso 1 1 calc R . .
C8 C 0.4253(3) 1.0521(3) 0.38906(19) 0.0491(14) Uani 1 1 d . . .
H8 H 0.4370 1.1001 0.4079 0.059 Uiso 1 1 calc R . .
C9 C 0.41493(19) 0.9603(2) 0.40603(16) 0.0331(11) Uani 1 1 d . . .
C10 C 0.42117(19) 0.9381(3) 0.45099(14) 0.0275(10) Uani 1 1 d . . .
C11 C 0.4405(2) 1.0096(3) 0.48547(16) 0.0349(11) Uani 1 1 d . . .
H11A H 0.4384 1.0704 0.4721 0.042 Uiso 1 1 calc R . .
H11B H 0.4052 1.0079 0.5082 0.042 Uiso 1 1 calc R . .
C12 C 0.5110(2) 0.9989(3) 0.50669(16) 0.0321(11) Uani 1 1 d . . .
C13 C 0.5199(2) 1.0065(3) 0.55331(14) 0.0374(12) Uani 1 1 d D . .
C14 C 0.4628(3) 1.0177(4) 0.58327(18) 0.0553(16) Uani 1 1 d D . .
H14 H 0.4173 1.0193 0.5727 0.066 Uiso 1 1 calc R . .
C15 C 0.4742(3) 1.0259(5) 0.6261(2) 0.072(2) Uani 1 1 d . . .
H15A H 0.4361 1.0346 0.6446 0.087 Uiso 1 1 calc R . .
C16 C 0.5410(3) 1.0221(5) 0.6444(2) 0.068(2) Uani 1 1 d . . .
H16 H 0.5472 1.0285 0.6744 0.082 Uiso 1 1 calc R . .
C17 C 0.5960(3) 1.0091(5) 0.61811(19) 0.0561(16) Uani 1 1 d . . .
H17 H 0.6404 1.0046 0.6303 0.067 Uiso 1 1 calc R . .
C18 C 0.5883(2) 1.0018(3) 0.57180(16) 0.0389(12) Uani 1 1 d . . .
C19 C 0.6456(2) 0.9906(3) 0.54496(16) 0.0380(12) Uani 1 1 d . . .
H19 H 0.6899 0.9872 0.5574 0.046 Uiso 1 1 calc R . .
C20 C 0.6392(2) 0.9844(3) 0.50022(16) 0.0308(11) Uani 1 1 d . . .
C21 C 0.5709(2) 0.9929(3) 0.48150(15) 0.0314(11) Uani 1 1 d . . .
C22 C 0.3658(2) 0.6837(3) 0.44898(14) 0.0286(9) Uani 1 1 d U . .
C23 C 0.7024(2) 0.9767(3) 0.47278(17) 0.0365(12) Uani 1 1 d . . .
C24 C 0.2675(2) 0.1587(3) 0.48255(15) 0.0321(10) Uani 1 1 d . . .
C25 C 0.2895(2) 0.2309(3) 0.51272(14) 0.0311(10) Uani 1 1 d . . .
C26 C 0.2967(2) 0.2114(3) 0.55562(15) 0.0383(12) Uani 1 1 d . . .
H26 H 0.3104 0.2582 0.5746 0.046 Uiso 1 1 calc R . .
C27 C 0.2839(2) 0.1215(3) 0.57255(15) 0.0365(11) Uani 1 1 d . . .
C28 C 0.2925(2) 0.1036(4) 0.61659(17) 0.0479(14) Uani 1 1 d . . .
H28 H 0.3050 0.1513 0.6354 0.057 Uiso 1 1 calc R . .
C29 C 0.2827(3) 0.0176(4) 0.6323(2) 0.0608(17) Uani 1 1 d . . .
H29 H 0.2876 0.0060 0.6621 0.073 Uiso 1 1 calc R . .
C30 C 0.2651(3) -0.0552(4) 0.6034(2) 0.0689(18) Uani 1 1 d . . .
H30 H 0.2611 -0.1152 0.6141 0.083 Uiso 1 1 calc R . .
C31 C 0.2545(3) -0.0394(3) 0.5617(2) 0.0491(15) Uani 1 1 d . . .
H31 H 0.2409 -0.0882 0.5439 0.059 Uiso 1 1 calc R . .
C32 C 0.2629(2) 0.0507(3) 0.54271(18) 0.0372(11) Uani 1 1 d . . .
C33 C 0.2536(2) 0.0703(3) 0.49752(16) 0.0336(11) Uani 1 1 d . . .
C34 C 0.2352(2) -0.0024(3) 0.46406(17) 0.0402(13) Uani 1 1 d . . .
H34A H 0.2360 -0.0621 0.4785 0.048 Uiso 1 1 calc R . .
H34B H 0.2719 -0.0030 0.4422 0.048 Uiso 1 1 calc R . .
C35 C 0.1657(2) 0.0067(3) 0.44055(16) 0.0339(11) Uani 1 1 d . . .
C36 C 0.1593(2) 0.0032(4) 0.39425(17) 0.0397(13) Uani 1 1 d U . .
C37 C 0.2184(3) 0.0000(4) 0.3652(2) 0.0571(16) Uani 1 1 d . . .
H37 H 0.2632 0.0063 0.3766 0.068 Uiso 1 1 calc R . .
C38 C 0.2102(3) -0.0121(5) 0.3212(2) 0.070(2) Uani 1 1 d . . .
H38 H 0.2497 -0.0172 0.3037 0.085 Uiso 1 1 calc R . .
C39 C 0.1439(4) -0.0169(5) 0.3018(2) 0.079(2) Uani 1 1 d . . .
H39 H 0.1390 -0.0243 0.2718 0.094 Uiso 1 1 calc R . .
C40 C 0.0866(3) -0.0102(5) 0.3284(2) 0.0666(19) Uani 1 1 d . . .
H40 H 0.0423 -0.0117 0.3159 0.080 Uiso 1 1 calc R . .
C41 C 0.0923(3) -0.0012(4) 0.37395(16) 0.0423(13) Uani 1 1 d U . .
C42 C 0.0330(2) 0.0047(3) 0.40001(14) 0.0367(12) Uani 1 1 d . . .
H42 H -0.0108 0.0056 0.3867 0.044 Uiso 1 1 calc R . .
C43 C 0.0369(2) 0.0092(3) 0.44466(15) 0.0312(11) Uani 1 1 d . . .
C44 C 0.1030(2) 0.0074(3) 0.46462(14) 0.0293(10) Uani 1 1 d . . .
C45 C 0.3059(2) 0.3277(3) 0.49727(15) 0.0315(11) Uani 1 1 d . . .
C46 C -0.0284(2) 0.0096(3) 0.47124(16) 0.0329(11) Uani 1 1 d . . .
C47 C 0.3197(2) 0.6572(3) 0.27317(14) 0.0407(12) Uani 1 1 d . . .
C48 C 0.3542(3) 0.5700(4) 0.26945(16) 0.0466(14) Uani 1 1 d . . .
C49 C 0.3799(3) 0.5448(4) 0.23014(17) 0.0491(14) Uani 1 1 d . . .
H49 H 0.4018 0.4876 0.2276 0.059 Uiso 1 1 calc R . .
C50 C 0.3748(3) 0.6012(4) 0.19305(15) 0.0475(14) Uani 1 1 d . . .
C51 C 0.4027(3) 0.5752(5) 0.15207(19) 0.0680(18) Uani 1 1 d U . .
H51 H 0.4245 0.5180 0.1491 0.082 Uiso 1 1 calc R . .
C52 C 0.3983(3) 0.6329(5) 0.11662(18) 0.0709(19) Uani 1 1 d U . .
H52 H 0.4158 0.6148 0.0896 0.085 Uiso 1 1 calc R . .
C53 C 0.3676(3) 0.7180(5) 0.12181(18) 0.0647(18) Uani 1 1 d . . .
H53 H 0.3658 0.7571 0.0977 0.078 Uiso 1 1 calc R . .
C54 C 0.3396(2) 0.7487(4) 0.16020(15) 0.0491(14) Uani 1 1 d . . .
H54 H 0.3204 0.8077 0.1622 0.059 Uiso 1 1 calc R . .
C55 C 0.3403(2) 0.6880(4) 0.19759(15) 0.0450(13) Uani 1 1 d . . .
C56 C 0.3117(2) 0.7161(3) 0.23755(14) 0.0378(12) Uani 1 1 d . . .
C57 C 0.2717(3) 0.8063(3) 0.24298(15) 0.0456(13) Uani 1 1 d . . .
H57A H 0.2606 0.8139 0.2737 0.055 Uiso 1 1 calc R . .
H57B H 0.3025 0.8568 0.2348 0.055 Uiso 1 1 calc R . .
C58 C 0.2045(2) 0.8155(3) 0.21692(14) 0.0381(12) Uani 1 1 d . . .
C59 C 0.1448(2) 0.7592(3) 0.22708(15) 0.0390(12) Uani 1 1 d . . .
C60 C 0.1414(3) 0.7001(4) 0.26375(16) 0.0588(16) Uani 1 1 d . . .
H60 H 0.1797 0.6957 0.2823 0.071 Uiso 1 1 calc R . .
C61 C 0.0824(3) 0.6488(4) 0.27256(19) 0.0733(18) Uani 1 1 d . . .
H61 H 0.0821 0.6089 0.2964 0.088 Uiso 1 1 calc R . .
C62 C 0.0239(3) 0.6558(4) 0.2466(2) 0.0733(19) Uani 1 1 d . . .
H62 H -0.0160 0.6218 0.2532 0.088 Uiso 1 1 calc R . .
C63 C 0.0248(3) 0.7128(4) 0.21130(18) 0.0638(17) Uani 1 1 d . . .
H63 H -0.0148 0.7172 0.1938 0.077 Uiso 1 1 calc R . .
C64 C 0.0838(2) 0.7648(3) 0.20062(15) 0.0424(12) Uani 1 1 d . . .
C65 C 0.0827(2) 0.8266(3) 0.16459(16) 0.0456(13) Uani 1 1 d . . .
H65 H 0.0435 0.8292 0.1467 0.055 Uiso 1 1 calc R . .
C66 C 0.1389(2) 0.8824(3) 0.15594(15) 0.0353(11) Uani 1 1 d . . .
C67 C 0.1991(2) 0.8786(3) 0.18346(15) 0.0370(11) Uani 1 1 d . . .
C68 C 0.3649(3) 0.5048(4) 0.30747(18) 0.0538(16) Uani 1 1 d . . .
C69 C 0.1363(2) 0.9430(3) 0.11668(15) 0.0325(11) Uani 1 1 d . . .
C70 C 0.4911(3) 0.6334(4) 0.5844(2) 0.0679(18) Uani 1 1 d DU B .
H70 H 0.5095 0.5741 0.5817 0.081 Uiso 1 1 calc R . .
C71 C 0.6099(3) 0.7057(10) 0.6056(6) 0.120(3) Uani 0.484(9) 1 d PDU B 1
H71A H 0.6188 0.6960 0.6361 0.180 Uiso 0.484(9) 1 calc PR B 1
H71B H 0.6265 0.7658 0.5973 0.180 Uiso 0.484(9) 1 calc PR B 1
H71C H 0.6337 0.6593 0.5889 0.180 Uiso 0.484(9) 1 calc PR B 1
C71A C 0.6062(4) 0.6633(7) 0.6041(6) 0.120(3) Uani 0.516(9) 1 d PDU B 2
H71D H 0.6122 0.6463 0.6342 0.180 Uiso 0.516(9) 1 calc PR B 2
H71E H 0.6398 0.7099 0.5965 0.180 Uiso 0.516(9) 1 calc PR B 2
H71F H 0.6130 0.6099 0.5859 0.180 Uiso 0.516(9) 1 calc PR B 2
C72 C 0.4932(5) 0.7813(7) 0.6116(5) 0.110(2) Uani 0.484(9) 1 d PDU B 1
H72A H 0.4572 0.7934 0.5906 0.165 Uiso 0.484(9) 1 calc PR B 1
H72B H 0.5232 0.8342 0.6140 0.165 Uiso 0.484(9) 1 calc PR B 1
H72C H 0.4723 0.7687 0.6395 0.165 Uiso 0.484(9) 1 calc PR B 1
C72A C 0.5294(6) 0.7960(5) 0.5847(5) 0.110(2) Uani 0.516(9) 1 d PDU B 2
H72D H 0.5552 0.8059 0.5582 0.165 Uiso 0.516(9) 1 calc PR B 2
H72E H 0.5482 0.8345 0.6074 0.165 Uiso 0.516(9) 1 calc PR B 2
H72F H 0.4811 0.8115 0.5800 0.165 Uiso 0.516(9) 1 calc PR B 2
C73 C 0.2077(3) 0.3319(5) 0.3576(2) 0.079(2) Uani 1 1 d DU C .
H73 H 0.2322 0.2785 0.3649 0.095 Uiso 1 1 calc R . .
C74 C 0.0973(5) 0.3909(5) 0.3314(6) 0.123(4) Uani 0.516(10) 1 d PDU C 2
H74A H 0.0654 0.3917 0.3556 0.185 Uiso 0.516(10) 1 calc PR C 2
H74B H 0.0717 0.3805 0.3048 0.185 Uiso 0.516(10) 1 calc PR C 2
H74C H 0.1212 0.4491 0.3297 0.185 Uiso 0.516(10) 1 calc PR C 2
C74A C 0.1260(8) 0.4068(4) 0.3180(5) 0.123(4) Uani 0.484(10) 1 d PDU C 1
H74D H 0.0908 0.4348 0.3360 0.185 Uiso 0.484(10) 1 calc PR C 1
H74E H 0.1076 0.3964 0.2893 0.185 Uiso 0.484(10) 1 calc PR C 1
H74F H 0.1658 0.4472 0.3162 0.185 Uiso 0.484(10) 1 calc PR C 1
C75 C 0.1298(7) 0.2229(4) 0.3261(5) 0.097(2) Uani 0.516(10) 1 d PDU C 1
H75A H 0.1675 0.1958 0.3099 0.146 Uiso 0.516(10) 1 calc PR C 1
H75B H 0.0880 0.2223 0.3087 0.146 Uiso 0.516(10) 1 calc PR C 1
H75C H 0.1221 0.1881 0.3524 0.146 Uiso 0.516(10) 1 calc PR C 1
C75A C 0.0963(5) 0.2429(5) 0.3338(5) 0.097(2) Uani 0.484(10) 1 d PDU C 2
H75D H 0.1183 0.1894 0.3213 0.146 Uiso 0.484(10) 1 calc PR C 2
H75E H 0.0583 0.2622 0.3155 0.146 Uiso 0.484(10) 1 calc PR C 2
H75F H 0.0787 0.2278 0.3623 0.146 Uiso 0.484(10) 1 calc PR C 2
C76 C 0.4753(4) 0.2636(6) 0.4554(2) 0.102(3) Uiso 1 1 d D . .
H76 H 0.4292 0.2696 0.4646 0.123 Uiso 1 1 calc R . .
C77 C 0.4955(4) 0.2515(6) 0.5294(2) 0.118(3) Uiso 1 1 d D . .
H77A H 0.4460 0.2420 0.5264 0.177 Uiso 1 1 calc R . .
H77B H 0.5039 0.3095 0.5438 0.177 Uiso 1 1 calc R . .
H77C H 0.5154 0.2023 0.5463 0.177 Uiso 1 1 calc R . .
C78 C 0.6011(3) 0.2447(8) 0.4931(4) 0.153(4) Uiso 1 1 d D . .
H78A H 0.6177 0.2991 0.5078 0.229 Uiso 1 1 calc R . .
H78B H 0.6250 0.2382 0.4657 0.229 Uiso 1 1 calc R . .
H78C H 0.6099 0.1914 0.5109 0.229 Uiso 1 1 calc R . .
C79 C 0.6948(3) 0.7516(6) 0.4630(3) 0.101(3) Uiso 1 1 d D . .
H79 H 0.7366 0.7566 0.4477 0.121 Uiso 1 1 calc R . .
C80 C 0.5676(4) 0.7456(8) 0.4562(3) 0.147(4) Uiso 1 1 d D . .
H80A H 0.5688 0.7421 0.4875 0.221 Uiso 1 1 calc R . .
H80B H 0.5439 0.6923 0.4447 0.221 Uiso 1 1 calc R . .
H80C H 0.5431 0.8006 0.4474 0.221 Uiso 1 1 calc R . .
C81 C 0.6298(7) 0.7550(11) 0.3926(2) 0.216(7) Uiso 1 1 d D . .
H81A H 0.6735 0.7394 0.3791 0.324 Uiso 1 1 calc R . .
H81B H 0.6170 0.8170 0.3848 0.324 Uiso 1 1 calc R . .
H81C H 0.5942 0.7130 0.3828 0.324 Uiso 1 1 calc R . .
C82 C 0.7319(6) 0.8176(9) 0.6777(3) 0.181(5) Uiso 1 1 d D . .
H82 H 0.7225 0.8807 0.6764 0.218 Uiso 1 1 calc R . .
C83 C 0.7279(9) 0.6791(6) 0.7254(5) 0.270(9) Uiso 1 1 d D . .
H83A H 0.6996 0.6410 0.7068 0.404 Uiso 1 1 calc R . .
H83B H 0.7169 0.6662 0.7554 0.404 Uiso 1 1 calc R . .
H83C H 0.7764 0.6662 0.7202 0.404 Uiso 1 1 calc R . .
C84 C 0.6907(9) 0.8196(12) 0.7573(4) 0.317(11) Uiso 1 1 d D . .
H84A H 0.7208 0.7997 0.7806 0.476 Uiso 1 1 calc R . .
H84B H 0.6436 0.8010 0.7635 0.476 Uiso 1 1 calc R . .
H84C H 0.6927 0.8857 0.7548 0.476 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
Dy1 O2 2.364(3) . ?
Dy1 O4 2.343(3) 4_465 ?
Dy1 O7 2.345(3) . ?
Dy1 O10 2.883(3) 4 ?
Dy1 O11 2.404(3) 4 ?
Dy1 O16 2.454(3) 3_545 ?
Dy1 O17 2.427(3) 3_545 ?
Dy1 O19 2.366(3) . ?
Dy1 O21W 2.396(3) . ?
Dy1 C46 3.018(4) 4 ?
Dy1 C69 2.806(5) 3_545 ?
Dy2 O1 2.324(3) . ?
Dy2 O4 2.676(3) 4_465 ?
Dy2 O5 2.399(3) 4_465 ?
Dy2 O8 2.334(3) . ?
Dy2 O10 2.269(3) 4 ?
Dy2 O14 2.296(3) . ?
Dy2 O20 2.325(4) . ?
Dy2 O22W 2.376(3) . ?
Dy2 C23 2.908(5) 4_465 ?
O1 C22 1.272(5) . ?
O2 C22 1.256(5) . ?
O3 C1 1.368(5) . ?
O4 Dy1 2.343(3) 4_565 ?
O4 Dy2 2.676(3) 4_565 ?
O4 C23 1.262(5) . ?
O5 Dy2 2.399(3) 4_565 ?
O5 C23 1.276(6) . ?
O6 C21 1.354(6) . ?
O7 C45 1.221(5) . ?
O8 C45 1.298(5) . ?
O9 C24 1.363(5) . ?
O10 Dy1 2.883(3) 4_455 ?
O10 Dy2 2.269(3) 4_455 ?
O10 C46 1.262(5) . ?
O11 Dy1 2.404(3) 4_455 ?
O11 C46 1.252(6) . ?
O12 C44 1.357(5) . ?
O13 C68 1.211(7) . ?
O14 C68 1.295(7) . ?
O15 C47 1.382(5) . ?
O16 Dy1 2.454(3) 3_554 ?
O16 C69 1.237(5) . ?
O17 Dy1 2.427(3) 3_554 ?
O17 C69 1.286(5) . ?
O18 C67 1.353(5) . ?
O19 C70 1.214(6) . ?
O20 C73 1.138(8) . ?
O23 C76 1.175(9) . ?
O24 C79 1.183(9) . ?
O25 C82 1.233(12) . ?
N1 C70 1.335(6) . ?
N1 C71 1.460(7) . ?
N1 C71A 1.478(7) . ?
N1 C72 1.486(8) . ?
N1 C72A 1.449(7) . ?
N2 C73 1.325(6) . ?
N2 C74 1.438(7) . ?
N2 C74A 1.473(8) . ?
N2 C75 1.455(7) . ?
N2 C75A 1.466(7) . ?
N3 C76 1.379(7) . ?
N3 C77 1.481(6) . ?
N3 C78 1.418(7) . ?
N4 C79 1.320(7) . ?
N4 C80 1.416(7) . ?
N4 C81 1.454(7) . ?
N5 C82 1.357(8) . ?
N5 C83 1.475(8) . ?
N5 C84 1.469(9) . ?
C1 C2 1.413(6) . ?
C1 C10 1.385(6) . ?
C2 C3 1.346(6) . ?
C2 C22 1.510(5) . ?
C3 C4 1.401(6) . ?
C4 C5 1.426(6) . ?
C4 C9 1.412(6) . ?
C5 C6 1.352(7) . ?
C6 C7 1.412(8) . ?
C7 C8 1.362(8) . ?
C8 C9 1.440(6) . ?
C9 C10 1.419(6) . ?
C10 C11 1.523(6) . ?
C11 C12 1.505(6) . ?
C12 C13 1.442(6) . ?
C12 C21 1.384(6) . ?
C13 C14 1.435(6) . ?
C13 C18 1.427(7) . ?
C14 C15 1.336(8) . ?
C15 C16 1.395(8) . ?
C16 C17 1.338(8) . ?
C17 C18 1.430(7) . ?
C18 C19 1.380(6) . ?
C19 C20 1.378(7) . ?
C20 C21 1.432(6) . ?
C20 C23 1.476(6) . ?
C23 Dy2 2.908(5) 4_565 ?
C24 C25 1.456(6) . ?
C24 C33 1.383(6) . ?
C25 C26 1.350(6) . ?
C25 C45 1.510(6) . ?
C26 C27 1.421(6) . ?
C27 C28 1.383(7) . ?
C27 C32 1.430(7) . ?
C28 C29 1.348(8) . ?
C29 C30 1.416(9) . ?
C30 C31 1.313(8) . ?
C31 C32 1.436(6) . ?
C32 C33 1.424(7) . ?
C33 C34 1.510(7) . ?
C34 C35 1.517(7) . ?
C35 C36 1.424(7) . ?
C35 C44 1.408(6) . ?
C36 C37 1.439(7) . ?
C36 C41 1.426(7) . ?
C37 C38 1.366(9) . ?
C38 C39 1.402(10) . ?
C39 C40 1.369(9) . ?
C40 C41 1.404(8) . ?
C41 C42 1.389(7) . ?
C42 C43 1.371(6) . ?
C43 C44 1.405(6) . ?
C43 C46 1.491(6) . ?
C46 Dy1 3.018(4) 4_455 ?
C47 C48 1.428(7) . ?
C47 C56 1.392(6) . ?
C48 C49 1.351(7) . ?
C48 C68 1.512(7) . ?
C49 C50 1.402(7) . ?
C50 C51 1.415(7) . ?
C50 C55 1.426(8) . ?
C51 C52 1.372(8) . ?
C52 C53 1.372(9) . ?
C53 C54 1.367(7) . ?
C54 C55 1.443(7) . ?
C55 C56 1.401(7) . ?
C56 C57 1.521(7) . ?
C57 C58 1.520(6) . ?
C58 C59 1.436(6) . ?
C58 C67 1.376(6) . ?
C59 C60 1.413(7) . ?
C59 C64 1.422(6) . ?
C60 C61 1.376(8) . ?
C61 C62 1.375(9) . ?
C62 C63 1.361(8) . ?
C63 C64 1.395(7) . ?
C64 C65 1.420(6) . ?
C65 C66 1.369(6) . ?
C66 C67 1.429(6) . ?
C66 C69 1.488(6) . ?
C69 Dy1 2.806(5) 3_554 ?

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 Dy1 O10 65.86(9) . 4 ?
O2 Dy1 O11 78.77(11) . 4 ?
O2 Dy1 O16 141.41(10) . 3_545 ?
O2 Dy1 O17 146.37(11) . 3_545 ?
O2 Dy1 O19 74.74(11) . . ?
O2 Dy1 O21W 75.25(10) . . ?
O2 Dy1 C46 68.16(11) . 4 ?
O2 Dy1 C69 156.29(11) . 3_545 ?
O4 Dy1 O2 77.04(10) 4_465 . ?
O4 Dy1 O7 71.00(10) 4_465 . ?
O4 Dy1 O10 73.79(10) 4_465 4 ?
O4 Dy1 O11 121.38(11) 4_465 4 ?
O4 Dy1 O16 140.27(10) 4_465 3_545 ?
O4 Dy1 O17 102.76(10) 4_465 3_545 ?
O4 Dy1 O19 142.26(11) 4_465 . ?
O4 Dy1 O21W 74.08(11) 4_465 . ?
O4 Dy1 C46 98.16(11) 4_465 4 ?
O4 Dy1 C69 122.75(11) 4_465 3_545 ?
O7 Dy1 O2 130.53(10) . . ?
O7 Dy1 O10 69.49(9) . 4 ?
O7 Dy1 O11 86.70(11) . 4 ?
O7 Dy1 O16 73.05(11) . 3_545 ?
O7 Dy1 O17 78.46(11) . 3_545 ?
O7 Dy1 O19 146.58(11) . . ?
O7 Dy1 O21W 127.56(11) . . ?
O7 Dy1 C46 80.00(11) . 4 ?
O7 Dy1 C69 72.14(11) . 3_545 ?
O10 Dy1 C46 24.56(10) 4 4 ?
O11 Dy1 O10 47.60(9) 4 4 ?
O11 Dy1 O16 72.17(11) 4 3_545 ?
O11 Dy1 O17 125.41(11) 4 3_545 ?
O11 Dy1 C46 23.36(11) 4 4 ?
O11 Dy1 C69 98.23(12) 4 3_545 ?
O16 Dy1 O10 108.54(10) 3_545 4 ?
O16 Dy1 C46 91.72(11) 3_545 4 ?
O16 Dy1 C69 26.12(11) 3_545 3_545 ?
O17 Dy1 O10 147.17(10) 3_545 4 ?
O17 Dy1 O16 53.23(10) 3_545 3_545 ?
O17 Dy1 C46 142.99(11) 3_545 4 ?
O17 Dy1 C69 27.23(11) 3_545 3_545 ?
O19 Dy1 O10 115.35(10) . 4 ?
O19 Dy1 O11 76.71(11) . 4 ?
O19 Dy1 O16 74.30(11) . 3_545 ?
O19 Dy1 O17 87.74(11) . 3_545 ?
O19 Dy1 O21W 74.88(11) . . ?
O19 Dy1 C46 94.09(12) . 4 ?
O19 Dy1 C69 81.66(12) . 3_545 ?
O21W Dy1 O10 133.82(10) . 4 ?
O21W Dy1 O11 145.52(12) . 4 ?
O21W Dy1 O16 117.41(11) . 3_545 ?
O21W Dy1 O17 72.53(11) . 3_545 ?
O21W Dy1 C46 143.39(11) . 4 ?
O21W Dy1 C69 96.58(12) . 3_545 ?
C69 Dy1 O10 128.75(11) 3_545 4 ?
C69 Dy1 C46 116.59(12) 3_545 4 ?
O1 Dy2 O4 71.51(9) . 4_465 ?
O1 Dy2 O5 83.42(11) . 4_465 ?
O1 Dy2 O8 138.03(10) . . ?
O1 Dy2 O20 130.43(14) . . ?
O1 Dy2 O22W 131.89(11) . . ?
O1 Dy2 C23 80.39(11) . 4_465 ?
O4 Dy2 C23 25.70(11) 4_465 4_465 ?
O5 Dy2 O4 50.61(10) 4_465 4_465 ?
O5 Dy2 C23 25.59(12) 4_465 4_465 ?
O8 Dy2 O4 70.05(10) . 4_465 ?
O8 Dy2 O5 85.09(11) . 4_465 ?
O8 Dy2 O22W 75.60(11) . . ?
O8 Dy2 C23 72.26(11) . 4_465 ?
O10 Dy2 O1 75.27(10) 4 . ?
O10 Dy2 O4 79.17(10) 4 4_465 ?
O10 Dy2 O5 129.54(11) 4 4_465 ?
O10 Dy2 O8 81.59(11) 4 . ?
O10 Dy2 O14 107.44(13) 4 . ?
O10 Dy2 O20 152.71(14) 4 . ?
O10 Dy2 O22W 79.74(12) 4 . ?
O10 Dy2 C23 104.79(13) 4 4_465 ?
O14 Dy2 O1 72.70(11) . . ?
O14 Dy2 O4 140.39(10) . 4_465 ?
O14 Dy2 O5 108.88(13) . 4_465 ?
O14 Dy2 O8 148.70(11) . . ?
O14 Dy2 O20 77.36(15) . . ?
O14 Dy2 O22W 76.69(12) . . ?
O14 Dy2 C23 130.39(13) . 4_465 ?
O20 Dy2 O4 114.81(12) . 4_465 ?
O20 Dy2 O5 70.04(13) . 4_465 ?
O20 Dy2 O8 81.77(14) . . ?
O20 Dy2 O22W 75.27(14) . . ?
O20 Dy2 C23 90.47(14) . 4_465 ?
O22W Dy2 O4 141.78(10) . 4_465 ?
O22W Dy2 O5 142.28(12) . 4_465 ?
O22W Dy2 C23 146.37(12) . 4_465 ?
C22 O1 Dy2 137.6(3) . . ?
C22 O2 Dy1 139.9(3) . . ?
Dy1 O4 Dy2 105.67(10) 4_565 4_565 ?
C23 O4 Dy1 165.8(3) . 4_565 ?
C23 O4 Dy2 87.4(3) . 4_565 ?
C23 O5 Dy2 100.1(3) . 4_565 ?
C45 O7 Dy1 144.6(3) . . ?
C45 O8 Dy2 133.5(3) . . ?
Dy2 O10 Dy1 101.37(10) 4_455 4_455 ?
C46 O10 Dy1 83.7(3) . 4_455 ?
C46 O10 Dy2 171.8(3) . 4_455 ?
C46 O11 Dy1 107.0(2) . 4_455 ?
C68 O14 Dy2 139.4(3) . . ?
C69 O16 Dy1 93.0(3) . 3_554 ?
C69 O17 Dy1 93.0(3) . 3_554 ?
C70 O19 Dy1 126.2(4) . . ?
C73 O20 Dy2 148.1(5) . . ?
C70 N1 C71 135.2(7) . . ?
C70 N1 C71A 111.3(6) . . ?
C70 N1 C72 108.8(6) . . ?
C70 N1 C72A 124.4(7) . . ?
C71 N1 C71A 24.3(7) . . ?
C71 N1 C72 115.5(7) . . ?
C71A N1 C72 137.5(8) . . ?
C72A N1 C71 93.5(8) . . ?
C72A N1 C71A 116.5(6) . . ?
C72A N1 C72 43.9(8) . . ?
C73 N2 C74 121.9(7) . . ?
C73 N2 C74A 107.3(7) . . ?
C73 N2 C75 117.2(7) . . ?
C73 N2 C75A 136.8(7) . . ?
C74 N2 C74A 28.7(9) . . ?
C74 N2 C75 120.5(7) . . ?
C74 N2 C75A 95.0(6) . . ?
C75 N2 C74A 131.6(8) . . ?
C75 N2 C75A 29.4(7) . . ?
C75A N2 C74A 115.5(7) . . ?
C76 N3 C77 107.3(5) . . ?
C76 N3 C78 147.2(7) . . ?
C78 N3 C77 105.4(6) . . ?
C79 N4 C80 126.6(6) . . ?
C79 N4 C81 127.7(7) . . ?
C80 N4 C81 105.6(7) . . ?
C82 N5 C83 122.2(10) . . ?
C82 N5 C84 130.0(10) . . ?
C84 N5 C83 106.8(10) . . ?
O3 C1 C2 121.9(4) . . ?
O3 C1 C10 116.3(4) . . ?
C10 C1 C2 121.8(4) . . ?
C1 C2 C22 121.4(4) . . ?
C3 C2 C1 118.7(4) . . ?
C3 C2 C22 119.9(4) . . ?
C2 C3 C4 122.5(4) . . ?
C3 C4 C5 120.6(4) . . ?
C3 C4 C9 118.7(4) . . ?
C9 C4 C5 120.7(4) . . ?
C6 C5 C4 120.3(5) . . ?
C5 C6 C7 119.8(5) . . ?
C8 C7 C6 121.6(5) . . ?
C7 C8 C9 120.4(5) . . ?
C4 C9 C8 117.1(4) . . ?
C4 C9 C10 119.7(4) . . ?
C10 C9 C8 123.2(4) . . ?
C1 C10 C9 118.4(4) . . ?
C1 C10 C11 118.9(4) . . ?
C9 C10 C11 122.7(4) . . ?
C12 C11 C10 116.5(4) . . ?
C13 C12 C11 121.7(4) . . ?
C21 C12 C11 120.5(4) . . ?
C21 C12 C13 117.4(4) . . ?
C14 C13 C12 123.5(4) . . ?
C18 C13 C12 119.8(4) . . ?
C18 C13 C14 116.7(4) . . ?
C15 C14 C13 121.0(5) . . ?
C14 C15 C16 122.7(6) . . ?
C17 C16 C15 118.9(6) . . ?
C16 C17 C18 121.7(5) . . ?
C13 C18 C17 119.0(4) . . ?
C19 C18 C13 119.8(4) . . ?
C19 C18 C17 121.2(4) . . ?
C20 C19 C18 122.0(4) . . ?
C19 C20 C21 118.2(4) . . ?
C19 C20 C23 119.9(4) . . ?
C21 C20 C23 121.7(4) . . ?
O6 C21 C12 117.6(4) . . ?
O6 C21 C20 119.9(4) . . ?
C12 C21 C20 122.5(4) . . ?
O1 C22 C2 116.6(4) . . ?
O2 C22 O1 124.6(4) . . ?
O2 C22 C2 118.8(4) . . ?
O4 C23 Dy2 66.8(2) . 4_565 ?
O4 C23 O5 118.7(4) . . ?
O4 C23 C20 121.4(4) . . ?
O5 C23 Dy2 54.3(2) . 4_565 ?
O5 C23 C20 119.8(4) . . ?
C20 C23 Dy2 160.7(3) . 4_565 ?
O9 C24 C25 121.2(4) . . ?
O9 C24 C33 118.4(4) . . ?
C33 C24 C25 120.5(4) . . ?
C24 C25 C45 121.7(4) . . ?
C26 C25 C24 119.8(4) . . ?
C26 C25 C45 118.5(4) . . ?
C25 C26 C27 121.9(4) . . ?
C26 C27 C32 118.0(4) . . ?
C28 C27 C26 120.5(5) . . ?
C28 C27 C32 121.5(4) . . ?
C29 C28 C27 120.4(5) . . ?
C28 C29 C30 119.7(6) . . ?
C31 C30 C29 121.0(5) . . ?
C30 C31 C32 122.4(5) . . ?
C27 C32 C31 114.9(5) . . ?
C33 C32 C27 120.9(4) . . ?
C33 C32 C31 124.1(4) . . ?
C24 C33 C32 118.8(4) . . ?
C24 C33 C34 117.6(4) . . ?
C32 C33 C34 123.4(4) . . ?
C33 C34 C35 117.8(4) . . ?
C36 C35 C34 123.0(4) . . ?
C44 C35 C34 119.9(4) . . ?
C44 C35 C36 116.6(4) . . ?
C35 C36 C37 123.4(5) . . ?
C35 C36 C41 120.9(4) . . ?
C41 C36 C37 115.7(5) . . ?
C38 C37 C36 121.6(5) . . ?
C37 C38 C39 121.9(6) . . ?
C40 C39 C38 117.8(6) . . ?
C39 C40 C41 122.4(6) . . ?
C40 C41 C36 120.4(5) . . ?
C42 C41 C36 118.7(4) . . ?
C42 C41 C40 120.9(5) . . ?
C43 C42 C41 122.1(4) . . ?
C42 C43 C44 118.8(4) . . ?
C42 C43 C46 120.0(4) . . ?
C44 C43 C46 121.1(4) . . ?
O12 C44 C35 115.8(4) . . ?
O12 C44 C43 121.5(4) . . ?
C43 C44 C35 122.6(4) . . ?
O7 C45 O8 125.0(4) . . ?
O7 C45 C25 118.1(4) . . ?
O8 C45 C25 116.9(4) . . ?
O10 C46 Dy1 71.7(2) . 4_455 ?
O10 C46 C43 120.2(4) . . ?
O11 C46 Dy1 49.6(2) . 4_455 ?
O11 C46 O10 120.1(4) . . ?
O11 C46 C43 119.7(4) . . ?
C43 C46 Dy1 163.6(3) . 4_455 ?
O15 C47 C48 119.5(4) . . ?
O15 C47 C56 118.6(4) . . ?
C56 C47 C48 121.9(4) . . ?
C47 C48 C68 123.5(4) . . ?
C49 C48 C47 118.6(5) . . ?
C49 C48 C68 117.9(5) . . ?
C48 C49 C50 122.6(5) . . ?
C49 C50 C51 122.6(5) . . ?
C49 C50 C55 117.8(4) . . ?
C51 C50 C55 119.7(5) . . ?
C52 C51 C50 121.1(6) . . ?
C51 C52 C53 118.7(6) . . ?
C54 C53 C52 124.0(6) . . ?
C53 C54 C55 118.7(5) . . ?
C50 C55 C54 117.6(4) . . ?
C56 C55 C50 121.4(4) . . ?
C56 C55 C54 120.8(5) . . ?
C47 C56 C55 117.6(4) . . ?
C47 C56 C57 119.6(4) . . ?
C55 C56 C57 122.7(4) . . ?
C58 C57 C56 116.3(4) . . ?
C59 C58 C57 120.6(4) . . ?
C67 C58 C57 120.8(4) . . ?
C67 C58 C59 118.6(4) . . ?
C60 C59 C58 123.5(4) . . ?
C60 C59 C64 116.7(4) . . ?
C64 C59 C58 119.7(4) . . ?
C61 C60 C59 121.3(5) . . ?
C62 C61 C60 120.9(5) . . ?
C63 C62 C61 119.6(5) . . ?
C62 C63 C64 121.5(5) . . ?
C63 C64 C59 120.0(4) . . ?
C63 C64 C65 120.6(5) . . ?
C65 C64 C59 119.4(4) . . ?
C66 C65 C64 120.6(4) . . ?
C65 C66 C67 119.7(4) . . ?
C65 C66 C69 118.5(4) . . ?
C67 C66 C69 121.7(4) . . ?
O18 C67 C58 119.3(4) . . ?
O18 C67 C66 119.0(4) . . ?
C58 C67 C66 121.7(4) . . ?
O13 C68 O14 124.3(5) . . ?
O13 C68 C48 120.1(5) . . ?
O14 C68 C48 115.5(5) . . ?
O16 C69 Dy1 60.8(2) . 3_554 ?
O16 C69 O17 120.1(4) . . ?
O16 C69 C66 120.5(4) . . ?
O17 C69 Dy1 59.7(2) . 3_554 ?
O17 C69 C66 119.3(4) . . ?
C66 C69 Dy1 172.0(3) . 3_554 ?
O19 C70 N1 126.2(6) . . ?
O20 C73 N2 129.7(7) . . ?
O23 C76 N3 119.8(7) . . ?
O24 C79 N4 126.3(7) . . ?
O25 C82 N5 131.9(12) . . ?

_database_code_depnum_ccdc_archive 'CCDC 997902'
