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

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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
#  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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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
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data_110403e_0m

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C33 H31 Dy N6 O11'
_chemical_formula_weight         850.14

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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)/c

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

_cell_length_a                   10.1030(9)
_cell_length_b                   23.756(2)
_cell_length_c                   14.7387(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 108.4240(10)
_cell_angle_gamma                90.00
_cell_volume                     3356.0(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    5347
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      27.47

_exptl_crystal_description       columnar
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.683
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1700
_exptl_absorpt_coefficient_mu    2.297
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.6694
_exptl_absorpt_correction_T_max  0.9137
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            20234
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_av_sigmaI/netI    0.0448
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.69
_diffrn_reflns_theta_max         27.60
_reflns_number_total             7700
_reflns_number_gt                5462
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0452P)²+7.1805P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7700
_refine_ls_number_parameters     491
_refine_ls_number_restraints     15
_refine_ls_R_factor_all          0.0747
_refine_ls_R_factor_gt           0.0492
_refine_ls_wR_factor_ref         0.1322
_refine_ls_wR_factor_gt          0.1164
_refine_ls_goodness_of_fit_ref   1.275
_refine_ls_restrained_S_all      1.274
_refine_ls_shift/su_max          0.005
_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
C1 C 0.5669(6) 0.9817(2) 0.6630(4) 0.0230(11) Uani 1 1 d . . .
C2 C 0.6539(6) 0.9635(2) 0.7628(4) 0.0245(12) Uani 1 1 d . . .
C3 C 0.5914(7) 0.9483(3) 0.8306(5) 0.0378(16) Uani 1 1 d . . .
H3A H 0.4955 0.9508 0.8182 0.045 Uiso 1 1 calc R . .
C4 C 0.6787(8) 0.9293(3) 0.9172(5) 0.0471(19) Uani 1 1 d . . .
H4A H 0.6388 0.9172 0.9627 0.057 Uiso 1 1 calc R . .
C5 C 0.8687(6) 0.9449(3) 0.8711(4) 0.0326(14) Uani 1 1 d . . .
C6 C 1.0220(7) 0.9460(3) 0.8952(4) 0.0360(15) Uani 1 1 d . . .
C7 C 1.1032(8) 0.9150(4) 0.9716(6) 0.069(3) Uani 1 1 d . . .
H7A H 1.0616 0.8940 1.0084 0.083 Uiso 1 1 calc R . .
C8 C 1.2474(9) 0.9152(5) 0.9934(7) 0.086(4) Uani 1 1 d . . .
H8A H 1.3017 0.8934 1.0439 0.103 Uiso 1 1 calc R . .
C9 C 1.3110(8) 0.9472(4) 0.9413(6) 0.064(3) Uani 1 1 d . . .
H9A H 1.4077 0.9487 0.9584 0.077 Uiso 1 1 calc R . .
C10 C 1.2303(8) 0.9767(4) 0.8644(6) 0.061(2) Uani 1 1 d . . .
H10A H 1.2720 0.9970 0.8269 0.073 Uiso 1 1 calc R . .
C11 C 1.0866(7) 0.9765(3) 0.8420(5) 0.0446(17) Uani 1 1 d . . .
H11A H 1.0327 0.9973 0.7900 0.054 Uiso 1 1 calc R . .
C12 C 0.9488(6) 0.9375(2) 0.3760(4) 0.0224(11) Uani 1 1 d . . .
C13 C 0.8621(6) 0.9002(2) 0.2938(4) 0.0263(12) Uani 1 1 d . . .
C14 C 0.9159(7) 0.8804(3) 0.2246(5) 0.0399(16) Uani 1 1 d . . .
H14A H 1.0067 0.8889 0.2267 0.048 Uiso 1 1 calc R . .
C15 C 0.8318(8) 0.8482(4) 0.1537(5) 0.052(2) Uani 1 1 d . . .
H15A H 0.8680 0.8334 0.1080 0.063 Uiso 1 1 calc R . .
C16 C 0.6548(6) 0.8579(3) 0.2146(4) 0.0300(13) Uani 1 1 d . . .
C17 C 0.5073(6) 0.8462(3) 0.2073(4) 0.0286(13) Uani 1 1 d . . .
C18 C 0.4398(8) 0.7993(3) 0.1569(5) 0.0403(17) Uani 1 1 d . . .
H18A H 0.4875 0.7750 0.1285 0.048 Uiso 1 1 calc R . .
C19 C 0.3028(7) 0.7887(3) 0.1490(5) 0.0443(18) Uani 1 1 d . . .
H19A H 0.2588 0.7571 0.1157 0.053 Uiso 1 1 calc R . .
C20 C 0.2302(7) 0.8240(3) 0.1894(5) 0.0449(18) Uani 1 1 d . . .
H20A H 0.1374 0.8164 0.1832 0.054 Uiso 1 1 calc R . .
C21 C 0.2949(8) 0.8711(4) 0.2396(6) 0.053(2) Uani 1 1 d . . .
H21A H 0.2460 0.8951 0.2674 0.064 Uiso 1 1 calc R . .
C22 C 0.4326(7) 0.8822(3) 0.2481(5) 0.0400(16) Uani 1 1 d . . .
H22A H 0.4759 0.9140 0.2813 0.048 Uiso 1 1 calc R . .
Dy1 Dy 0.75077(3) 1.005868(10) 0.49874(2) 0.02215(9) Uani 1 1 d . . .
N1 N 0.7928(5) 0.9619(2) 0.7822(3) 0.0259(11) Uani 1 1 d . . .
N2 N 0.8162(6) 0.9273(3) 0.9391(4) 0.0426(14) Uani 1 1 d . . .
N3 N 0.7304(5) 0.8891(2) 0.2893(3) 0.0249(10) Uani 1 1 d . . .
N4 N 0.7002(6) 0.8369(3) 0.1464(4) 0.0474(16) Uani 1 1 d . . .
O1 O 0.6293(5) 0.99225(18) 0.6045(3) 0.0332(10) Uani 1 1 d . . .
O2 O 0.4382(4) 0.98469(18) 0.6472(3) 0.0290(9) Uani 1 1 d . . .
O3 O 0.8911(4) 0.95577(19) 0.4325(3) 0.0330(10) Uani 1 1 d . . .
O4 O 1.0714(4) 0.94603(17) 0.3805(3) 0.0279(9) Uani 1 1 d . . .
O7 O 0.6375(4) 1.09268(18) 0.5126(3) 0.0307(9) Uani 1 1 d D . .
O8 O 0.8298(4) 1.0705(2) 0.4052(3) 0.0369(11) Uani 1 1 d D . .
O9 O 0.8892(4) 0.93746(18) 0.6225(3) 0.0306(9) Uani 1 1 d D . .
O10 O 0.6404(4) 0.91323(17) 0.4554(3) 0.0299(9) Uani 1 1 d D . .
O11 O 0.7438(5) 0.83492(19) 0.5984(4) 0.0432(12) Uani 1 1 d D . .
C23 C 0.5529(7) 0.1594(3) 0.2944(5) 0.0394(16) Uani 1 1 d . . .
C24 C 0.4649(7) 0.1912(3) 0.2060(5) 0.0364(15) Uani 1 1 d . . .
C25 C 0.5205(8) 0.2060(3) 0.1355(6) 0.0479(19) Uani 1 1 d . . .
H25A H 0.6101 0.1952 0.1380 0.058 Uiso 1 1 calc R . .
C26 C 0.4362(9) 0.2377(4) 0.0606(6) 0.056(2) Uani 1 1 d . . .
H26A H 0.4727 0.2501 0.0135 0.068 Uiso 1 1 calc R . .
C27 C 0.2575(7) 0.2332(3) 0.1227(5) 0.0332(14) Uani 1 1 d . . .
C28 C 0.1111(7) 0.2463(3) 0.1160(5) 0.0343(14) Uani 1 1 d . . .
C29 C 0.0375(7) 0.2879(3) 0.0539(5) 0.0419(17) Uani 1 1 d . . .
H29A H 0.0794 0.3067 0.0149 0.050 Uiso 1 1 calc R . .
C30 C -0.0972(8) 0.3014(3) 0.0498(6) 0.0469(18) Uani 1 1 d . . .
H30A H -0.1457 0.3293 0.0081 0.056 Uiso 1 1 calc R . .
C31 C -0.1592(8) 0.2739(4) 0.1067(6) 0.056(2) Uani 1 1 d . . .
H31A H -0.2498 0.2832 0.1039 0.067 Uiso 1 1 calc R . .
C32 C -0.0888(9) 0.2324(4) 0.1684(6) 0.061(2) Uani 1 1 d . . .
H32A H -0.1318 0.2133 0.2066 0.073 Uiso 1 1 calc R . .
C33 C 0.0476(8) 0.2193(4) 0.1728(6) 0.052(2) Uani 1 1 d . . .
H33A H 0.0961 0.1917 0.2152 0.063 Uiso 1 1 calc R . .
N5 N 0.3332(6) 0.2034(2) 0.2003(4) 0.0354(13) Uani 1 1 d . . .
N6 N 0.3049(6) 0.2514(3) 0.0529(4) 0.0438(15) Uani 1 1 d . . .
O5 O 0.5052(5) 0.1543(2) 0.3627(4) 0.0505(13) Uani 1 1 d . . .
O6 O 0.6687(5) 0.1431(2) 0.2917(4) 0.0538(14) Uani 1 1 d . . .
H10C H 0.674(9) 0.902(3) 0.405(4) 0.090(10) Uiso 1 1 d D . .
H9D H 0.872(9) 0.8979(12) 0.610(6) 0.090(10) Uiso 1 1 d D . .
H7C H 0.590(8) 1.115(3) 0.459(4) 0.090(10) Uiso 1 1 d D . .
H7D H 0.580(7) 1.095(4) 0.553(5) 0.090(10) Uiso 1 1 d D . .
H11C H 0.689(8) 0.835(3) 0.641(5) 0.090(10) Uiso 1 1 d D . .
H11D H 0.736(9) 0.7976(16) 0.573(6) 0.090(10) Uiso 1 1 d D . .
H8C H 0.777(7) 1.100(3) 0.368(6) 0.090(10) Uiso 1 1 d D . .
H9C H 0.850(9) 0.945(3) 0.673(5) 0.090(10) Uiso 1 1 d D . .
H10D H 0.663(9) 0.883(2) 0.501(4) 0.090(10) Uiso 1 1 d D . .
H8D H 0.916(5) 1.069(3) 0.392(6) 0.090(10) 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
C1 O1 1.244(7) . ?
C1 O2 1.248(7) . ?
C1 C2 1.518(8) . ?
C2 N1 1.341(7) . ?
C2 C3 1.388(8) . ?
C3 C4 1.379(9) . ?
C3 H3A 0.9300 . ?
C4 N2 1.325(9) . ?
C4 H4A 0.9300 . ?
C5 N2 1.340(8) . ?
C5 N1 1.353(7) . ?
C5 C6 1.476(9) . ?
C6 C11 1.374(9) . ?
C6 C7 1.377(9) . ?
C7 C8 1.389(11) . ?
C7 H7A 0.9300 . ?
C8 C9 1.375(12) . ?
C8 H8A 0.9300 . ?
C9 C10 1.362(11) . ?
C9 H9A 0.9300 . ?
C10 C11 1.384(10) . ?
C10 H10A 0.9300 . ?
C11 H11A 0.9300 . ?
C12 O4 1.236(7) . ?
C12 O3 1.236(7) . ?
C12 C13 1.533(8) . ?
C13 N3 1.337(7) . ?
C13 C14 1.381(8) . ?
C14 C15 1.356(9) . ?
C14 H14A 0.9300 . ?
C15 N4 1.328(9) . ?
C15 H15A 0.9300 . ?
C16 N4 1.326(8) . ?
C16 N3 1.347(7) . ?
C16 C17 1.486(8) . ?
C17 C18 1.394(9) . ?
C17 C22 1.396(9) . ?
C18 C19 1.375(9) . ?
C18 H18A 0.9300 . ?
C19 C20 1.368(10) . ?
C19 H19A 0.9300 . ?
C20 C21 1.386(10) . ?
C20 H20A 0.9300 . ?
C21 C22 1.382(9) . ?
C21 H21A 0.9300 . ?
C22 H22A 0.9300 . ?
Dy1 O1 2.291(4) . ?
Dy1 O3 2.292(4) . ?
Dy1 O8 2.364(4) . ?
Dy1 O4 2.383(4) 3_776 ?
Dy1 O2 2.393(4) 3_676 ?
Dy1 O7 2.398(4) . ?
Dy1 O10 2.458(4) . ?
Dy1 O9 2.512(4) . ?
O2 Dy1 2.393(4) 3_676 ?
O4 Dy1 2.383(4) 3_776 ?
O7 H7C 0.96(2) . ?
O7 H7D 0.96(2) . ?
O8 H8C 0.95(2) . ?
O8 H8D 0.95(2) . ?
O9 H9D 0.96(2) . ?
O9 H9C 0.96(2) . ?
O10 H10C 0.95(2) . ?
O10 H10D 0.95(2) . ?
O11 H11C 0.96(2) . ?
O11 H11D 0.96(2) . ?
C23 O6 1.245(8) . ?
C23 O5 1.252(8) . ?
C23 C24 1.525(9) . ?
C24 N5 1.338(8) . ?
C24 C25 1.374(9) . ?
C25 C26 1.386(10) . ?
C25 H25A 0.9300 . ?
C26 N6 1.336(9) . ?
C26 H26A 0.9300 . ?
C27 N6 1.336(8) . ?
C27 N5 1.357(8) . ?
C27 C28 1.483(9) . ?
C28 C33 1.367(10) . ?
C28 C29 1.390(9) . ?
C29 C30 1.381(9) . ?
C29 H29A 0.9300 . ?
C30 C31 1.362(11) . ?
C30 H30A 0.9300 . ?
C31 C32 1.377(11) . ?
C31 H31A 0.9300 . ?
C32 C33 1.393(10) . ?
C32 H32A 0.9300 . ?
C33 H33A 0.9300 . ?

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 C1 O2 125.8(5) . . ?
O1 C1 C2 117.6(5) . . ?
O2 C1 C2 116.6(5) . . ?
N1 C2 C3 121.4(5) . . ?
N1 C2 C1 117.5(5) . . ?
C3 C2 C1 121.0(5) . . ?
C4 C3 C2 116.7(6) . . ?
C4 C3 H3A 121.6 . . ?
C2 C3 H3A 121.6 . . ?
N2 C4 C3 123.4(6) . . ?
N2 C4 H4A 118.3 . . ?
C3 C4 H4A 118.3 . . ?
N2 C5 N1 125.4(6) . . ?
N2 C5 C6 117.3(5) . . ?
N1 C5 C6 117.3(5) . . ?
C11 C6 C7 118.7(7) . . ?
C11 C6 C5 121.5(6) . . ?
C7 C6 C5 119.8(6) . . ?
C6 C7 C8 119.8(8) . . ?
C6 C7 H7A 120.1 . . ?
C8 C7 H7A 120.1 . . ?
C9 C8 C7 120.9(8) . . ?
C9 C8 H8A 119.6 . . ?
C7 C8 H8A 119.6 . . ?
C10 C9 C8 119.1(7) . . ?
C10 C9 H9A 120.4 . . ?
C8 C9 H9A 120.4 . . ?
C9 C10 C11 120.2(7) . . ?
C9 C10 H10A 119.9 . . ?
C11 C10 H10A 119.9 . . ?
C6 C11 C10 121.1(7) . . ?
C6 C11 H11A 119.4 . . ?
C10 C11 H11A 119.4 . . ?
O4 C12 O3 125.8(5) . . ?
O4 C12 C13 116.7(5) . . ?
O3 C12 C13 117.5(5) . . ?
N3 C13 C14 120.9(6) . . ?
N3 C13 C12 117.7(5) . . ?
C14 C13 C12 121.3(6) . . ?
C15 C14 C13 117.7(6) . . ?
C15 C14 H14A 121.2 . . ?
C13 C14 H14A 121.2 . . ?
N4 C15 C14 122.9(6) . . ?
N4 C15 H15A 118.5 . . ?
C14 C15 H15A 118.5 . . ?
N4 C16 N3 125.7(6) . . ?
N4 C16 C17 117.0(5) . . ?
N3 C16 C17 117.2(5) . . ?
C18 C17 C22 118.7(6) . . ?
C18 C17 C16 119.9(6) . . ?
C22 C17 C16 121.4(6) . . ?
C19 C18 C17 120.1(6) . . ?
C19 C18 H18A 120.0 . . ?
C17 C18 H18A 120.0 . . ?
C20 C19 C18 121.0(7) . . ?
C20 C19 H19A 119.5 . . ?
C18 C19 H19A 119.5 . . ?
C19 C20 C21 120.0(7) . . ?
C19 C20 H20A 120.0 . . ?
C21 C20 H20A 120.0 . . ?
C22 C21 C20 119.6(7) . . ?
C22 C21 H21A 120.2 . . ?
C20 C21 H21A 120.2 . . ?
C21 C22 C17 120.7(6) . . ?
C21 C22 H22A 119.7 . . ?
C17 C22 H22A 119.7 . . ?
O1 Dy1 O3 138.83(16) . . ?
O1 Dy1 O8 147.20(16) . . ?
O3 Dy1 O8 73.76(16) . . ?
O1 Dy1 O4 89.95(15) . 3_776 ?
O3 Dy1 O4 98.34(14) . 3_776 ?
O8 Dy1 O4 79.07(15) . 3_776 ?
O1 Dy1 O2 100.24(15) . 3_676 ?
O3 Dy1 O2 95.25(15) . 3_676 ?
O8 Dy1 O2 74.67(15) . 3_676 ?
O4 Dy1 O2 145.61(14) 3_776 3_676 ?
O1 Dy1 O7 72.00(15) . . ?
O3 Dy1 O7 149.16(15) . . ?
O8 Dy1 O7 75.49(15) . . ?
O4 Dy1 O7 77.97(14) 3_776 . ?
O2 Dy1 O7 74.28(15) 3_676 . ?
O1 Dy1 O10 75.75(15) . . ?
O3 Dy1 O10 73.47(15) . . ?
O8 Dy1 O10 129.69(16) . . ?
O4 Dy1 O10 142.77(14) 3_776 . ?
O2 Dy1 O10 71.51(15) 3_676 . ?
O7 Dy1 O10 127.04(15) . . ?
O1 Dy1 O9 73.15(14) . . ?
O3 Dy1 O9 72.28(15) . . ?
O8 Dy1 O9 129.06(14) . . ?
O4 Dy1 O9 69.68(15) 3_776 . ?
O2 Dy1 O9 144.70(15) 3_676 . ?
O7 Dy1 O9 131.75(14) . . ?
O10 Dy1 O9 73.28(14) . . ?
C2 N1 C5 116.8(5) . . ?
C4 N2 C5 116.1(6) . . ?
C13 N3 C16 116.5(5) . . ?
C16 N4 C15 116.1(6) . . ?
C1 O1 Dy1 176.2(4) . . ?
C1 O2 Dy1 131.4(4) . 3_676 ?
C12 O3 Dy1 162.9(4) . . ?
C12 O4 Dy1 128.7(4) . 3_776 ?
Dy1 O7 H7C 123(5) . . ?
Dy1 O7 H7D 120(5) . . ?
H7C O7 H7D 104(3) . . ?
Dy1 O8 H8C 126(5) . . ?
Dy1 O8 H8D 127(5) . . ?
H8C O8 H8D 106(3) . . ?
Dy1 O9 H9D 118(6) . . ?
Dy1 O9 H9C 100(5) . . ?
H9D O9 H9C 104(3) . . ?
Dy1 O10 H10C 102(5) . . ?
Dy1 O10 H10D 120(6) . . ?
H10C O10 H10D 106(3) . . ?
H11C O11 H11D 105(3) . . ?
O6 C23 O5 126.9(7) . . ?
O6 C23 C24 115.2(6) . . ?
O5 C23 C24 117.8(6) . . ?
N5 C24 C25 122.2(6) . . ?
N5 C24 C23 117.4(6) . . ?
C25 C24 C23 120.3(6) . . ?
C24 C25 C26 116.5(7) . . ?
C24 C25 H25A 121.7 . . ?
C26 C25 H25A 121.7 . . ?
N6 C26 C25 122.9(7) . . ?
N6 C26 H26A 118.5 . . ?
C25 C26 H26A 118.5 . . ?
N6 C27 N5 125.0(6) . . ?
N6 C27 C28 118.2(6) . . ?
N5 C27 C28 116.8(6) . . ?
C33 C28 C29 118.7(7) . . ?
C33 C28 C27 120.8(6) . . ?
C29 C28 C27 120.5(6) . . ?
C30 C29 C28 120.6(7) . . ?
C30 C29 H29A 119.7 . . ?
C28 C29 H29A 119.7 . . ?
C31 C30 C29 120.0(7) . . ?
C31 C30 H30A 120.0 . . ?
C29 C30 H30A 120.0 . . ?
C30 C31 C32 120.6(8) . . ?
C30 C31 H31A 119.7 . . ?
C32 C31 H31A 119.7 . . ?
C31 C32 C33 119.2(8) . . ?
C31 C32 H32A 120.4 . . ?
C33 C32 H32A 120.4 . . ?
C28 C33 C32 121.0(7) . . ?
C28 C33 H33A 119.5 . . ?
C32 C33 H33A 119.5 . . ?
C24 N5 C27 116.8(6) . . ?
C26 N6 C27 116.4(6) . . ?

_diffrn_measured_fraction_theta_max 0.988
_diffrn_reflns_theta_full        27.60
_diffrn_measured_fraction_theta_full 0.988
_refine_diff_density_max         1.452
_refine_diff_density_min         -0.744
_refine_diff_density_rms         0.184
_database_code_depnum_ccdc_archive 'CCDC 988097'
#######################################################################
#
#                 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_110524a_0m

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C33 H31 N6 O11 Y'
_chemical_formula_weight         776.55

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 '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)/c

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

_cell_length_a                   10.0896(5)
_cell_length_b                   23.7561(10)
_cell_length_c                   14.7146(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 108.4190(10)
_cell_angle_gamma                90.00
_cell_volume                     3346.3(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4808
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      21.57

_exptl_crystal_description       columnar
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1592
_exptl_absorpt_coefficient_mu    1.814
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.7853
_exptl_absorpt_correction_T_max  0.8685
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            40784
_diffrn_reflns_av_R_equivalents  0.0635
_diffrn_reflns_av_sigmaI/netI    0.0579
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.13
_diffrn_reflns_theta_max         27.61
_reflns_number_total             7671
_reflns_number_gt                5181
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0158P)²+9.0693P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7671
_refine_ls_number_parameters     491
_refine_ls_number_restraints     69
_refine_ls_R_factor_all          0.1043
_refine_ls_R_factor_gt           0.0600
_refine_ls_wR_factor_ref         0.1208
_refine_ls_wR_factor_gt          0.1025
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_restrained_S_all      1.100
_refine_ls_shift/su_max          0.003
_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
C1 C 0.5668(4) 0.98196(16) 0.6622(3) 0.0250(8) Uani 1 1 d . . .
C2 C 0.6543(4) 0.96371(17) 0.7624(3) 0.0276(9) Uani 1 1 d . . .
C3 C 0.5911(4) 0.9486(2) 0.8290(3) 0.0409(11) Uani 1 1 d . . .
H3A H 0.4949 0.9513 0.8161 0.049 Uiso 1 1 calc R . .
C4 C 0.6777(5) 0.9294(2) 0.9162(3) 0.0507(13) Uani 1 1 d . . .
H4A H 0.6373 0.9175 0.9617 0.061 Uiso 1 1 calc R . .
C5 C 0.8679(4) 0.94495(18) 0.8704(3) 0.0337(10) Uani 1 1 d . . .
C6 C 1.0230(4) 0.9455(2) 0.8951(3) 0.0392(11) Uani 1 1 d . . .
C7 C 1.1052(5) 0.9151(3) 0.9715(4) 0.0730(19) Uani 1 1 d U . .
H7A H 1.0643 0.8942 1.0089 0.088 Uiso 1 1 calc R . .
C8 C 1.2492(6) 0.9155(3) 0.9930(5) 0.083(2) Uani 1 1 d U . .
H8A H 1.3042 0.8938 1.0435 0.100 Uiso 1 1 calc R . .
C9 C 1.3104(5) 0.9472(3) 0.9413(4) 0.0676(17) Uani 1 1 d U . .
H9A H 1.4073 0.9484 0.9580 0.081 Uiso 1 1 calc R . .
C10 C 1.2312(5) 0.9774(3) 0.8649(4) 0.0632(16) Uani 1 1 d U . .
H10A H 1.2733 0.9982 0.8280 0.076 Uiso 1 1 calc R . .
C11 C 1.0877(5) 0.9767(2) 0.8426(3) 0.0484(13) Uani 1 1 d U . .
H11A H 1.0335 0.9979 0.7911 0.058 Uiso 1 1 calc R . .
C12 C 0.9481(4) 0.93775(16) 0.3765(3) 0.0259(8) Uani 1 1 d . . .
C13 C 0.8624(4) 0.90096(17) 0.2944(3) 0.0301(9) Uani 1 1 d . . .
C14 C 0.9174(5) 0.8811(2) 0.2265(3) 0.0454(12) Uani 1 1 d . . .
H14A H 1.0090 0.8892 0.2299 0.055 Uiso 1 1 calc R . .
C15 C 0.8333(5) 0.8491(2) 0.1533(4) 0.0551(15) Uani 1 1 d . . .
H15A H 0.8696 0.8351 0.1071 0.066 Uiso 1 1 calc R . .
C16 C 0.6545(4) 0.85834(18) 0.2155(3) 0.0331(10) Uani 1 1 d . . .
C17 C 0.5062(4) 0.84652(18) 0.2067(3) 0.0323(9) Uani 1 1 d . . .
C18 C 0.4396(5) 0.7997(2) 0.1571(4) 0.0439(12) Uani 1 1 d . . .
H18A H 0.4880 0.7753 0.1296 0.053 Uiso 1 1 calc R . .
C19 C 0.3015(5) 0.7891(2) 0.1483(4) 0.0513(13) Uani 1 1 d . . .
H19A H 0.2569 0.7577 0.1146 0.062 Uiso 1 1 calc R . .
C20 C 0.2304(5) 0.8249(2) 0.1893(4) 0.0492(13) Uani 1 1 d . . .
H20A H 0.1373 0.8179 0.1833 0.059 Uiso 1 1 calc R . .
C21 C 0.2961(5) 0.8711(2) 0.2391(4) 0.0548(14) Uani 1 1 d . . .
H21A H 0.2481 0.8953 0.2674 0.066 Uiso 1 1 calc R . .
C22 C 0.4333(4) 0.8816(2) 0.2473(3) 0.0432(12) Uani 1 1 d . . .
H22A H 0.4774 0.9131 0.2810 0.052 Uiso 1 1 calc R . .
Y1 Y 0.75069(4) 1.005766(15) 0.49858(3) 0.02427(10) Uani 1 1 d . . .
N1 N 0.7929(3) 0.96173(14) 0.7822(2) 0.0299(8) Uani 1 1 d . . .
N2 N 0.8160(4) 0.92699(19) 0.9382(3) 0.0475(10) Uani 1 1 d . . .
N3 N 0.7301(3) 0.88942(14) 0.2898(2) 0.0295(8) Uani 1 1 d . . .
N4 N 0.7011(4) 0.83730(19) 0.1465(3) 0.0528(11) Uani 1 1 d . . .
O1 O 0.6298(3) 0.99259(13) 0.60357(19) 0.0347(7) Uani 1 1 d . . .
O2 O 0.4377(3) 0.98527(11) 0.64575(19) 0.0296(6) Uani 1 1 d . . .
O3 O 0.8891(3) 0.95605(13) 0.4328(2) 0.0388(7) Uani 1 1 d . . .
O4 O 1.0718(3) 0.94694(12) 0.3816(2) 0.0346(7) Uani 1 1 d . . .
O7 O 0.6393(3) 1.09224(12) 0.5128(2) 0.0344(7) Uani 1 1 d D . .
O8 O 0.8299(3) 1.06988(14) 0.4066(2) 0.0408(8) Uani 1 1 d D . .
O9 O 0.8894(3) 0.93743(13) 0.6224(2) 0.0342(7) Uani 1 1 d D . .
O10 O 0.6400(3) 0.91368(12) 0.4561(2) 0.0351(7) Uani 1 1 d D . .
O11 O 0.7432(3) 0.83499(13) 0.5976(2) 0.0451(8) Uani 1 1 d D . .
C23 C 0.5540(5) 0.15982(19) 0.2956(4) 0.0415(11) Uani 1 1 d . . .
C24 C 0.4645(4) 0.19101(19) 0.2061(3) 0.0376(10) Uani 1 1 d . . .
C25 C 0.5204(5) 0.2059(2) 0.1350(4) 0.0492(13) Uani 1 1 d . . .
H25A H 0.6104 0.1953 0.1379 0.059 Uiso 1 1 calc R . .
C26 C 0.4376(5) 0.2367(2) 0.0604(4) 0.0556(14) Uani 1 1 d . . .
H26A H 0.4737 0.2483 0.0127 0.067 Uiso 1 1 calc R . .
C27 C 0.2585(4) 0.23249(18) 0.1235(3) 0.0358(10) Uani 1 1 d . . .
C28 C 0.1124(5) 0.2462(2) 0.1165(3) 0.0395(11) Uani 1 1 d . . .
C29 C 0.0390(5) 0.2875(2) 0.0535(4) 0.0458(12) Uani 1 1 d . . .
H29A H 0.0811 0.3060 0.0141 0.055 Uiso 1 1 calc R . .
C30 C -0.0966(5) 0.3011(2) 0.0491(4) 0.0515(13) Uani 1 1 d . . .
H30A H -0.1450 0.3289 0.0071 0.062 Uiso 1 1 calc R . .
C31 C -0.1589(5) 0.2737(2) 0.1064(4) 0.0587(15) Uani 1 1 d . . .
H31A H -0.2494 0.2831 0.1040 0.070 Uiso 1 1 calc R . .
C32 C -0.0881(6) 0.2323(3) 0.1673(5) 0.0675(17) Uani 1 1 d . . .
H32A H -0.1319 0.2130 0.2049 0.081 Uiso 1 1 calc R . .
C33 C 0.0482(5) 0.2189(2) 0.1735(4) 0.0548(14) Uani 1 1 d . . .
H33A H 0.0963 0.1914 0.2164 0.066 Uiso 1 1 calc R . .
N5 N 0.3335(4) 0.20368(15) 0.2009(3) 0.0377(9) Uani 1 1 d . . .
N6 N 0.3063(4) 0.25087(17) 0.0534(3) 0.0461(10) Uani 1 1 d . . .
O5 O 0.5060(3) 0.15420(14) 0.3631(3) 0.0523(9) Uani 1 1 d . . .
O6 O 0.6694(3) 0.14318(15) 0.2919(3) 0.0571(10) Uani 1 1 d . . .
H10C H 0.668(6) 0.902(2) 0.404(2) 0.080(6) Uiso 1 1 d D . .
H9D H 0.855(5) 0.9003(11) 0.613(3) 0.080(6) Uiso 1 1 d D . .
H7C H 0.598(5) 1.1170(19) 0.461(3) 0.080(6) Uiso 1 1 d D . .
H7D H 0.581(5) 1.091(2) 0.551(3) 0.080(6) Uiso 1 1 d D . .
H11C H 0.678(5) 0.835(2) 0.632(4) 0.080(6) Uiso 1 1 d D . .
H11D H 0.734(5) 0.8000(14) 0.566(4) 0.080(6) Uiso 1 1 d D . .
H8C H 0.772(4) 1.0968(18) 0.365(3) 0.080(6) Uiso 1 1 d D . .
H9C H 0.879(6) 0.9501(19) 0.681(2) 0.080(6) Uiso 1 1 d D . .
H10D H 0.665(6) 0.8849(17) 0.503(3) 0.080(6) Uiso 1 1 d D . .
H8D H 0.907(4) 1.064(2) 0.385(4) 0.080(6) 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
C1 O1 1.248(4) . ?
C1 O2 1.250(4) . ?
C1 C2 1.523(5) . ?
C2 N1 1.336(5) . ?
C2 C3 1.375(6) . ?
C3 C4 1.382(6) . ?
C3 H3A 0.9300 . ?
C4 N2 1.330(6) . ?
C4 H4A 0.9300 . ?
C5 N2 1.335(5) . ?
C5 N1 1.341(5) . ?
C5 C6 1.490(6) . ?
C6 C7 1.372(6) . ?
C6 C11 1.376(6) . ?
C7 C8 1.386(7) . ?
C7 H7A 0.9300 . ?
C8 C9 1.351(8) . ?
C8 H8A 0.9300 . ?
C9 C10 1.359(7) . ?
C9 H9A 0.9300 . ?
C10 C11 1.381(7) . ?
C10 H10A 0.9300 . ?
C11 H11A 0.9300 . ?
C12 O3 1.241(5) . ?
C12 O4 1.246(4) . ?
C12 C13 1.520(5) . ?
C13 N3 1.343(5) . ?
C13 C14 1.370(6) . ?
C14 C15 1.371(6) . ?
C14 H14A 0.9300 . ?
C15 N4 1.335(6) . ?
C15 H15A 0.9300 . ?
C16 N3 1.340(5) . ?
C16 N4 1.343(6) . ?
C16 C17 1.488(6) . ?
C17 C22 1.368(6) . ?
C17 C18 1.381(6) . ?
C18 C19 1.382(6) . ?
C18 H18A 0.9300 . ?
C19 C20 1.370(7) . ?
C19 H19A 0.9300 . ?
C20 C21 1.368(7) . ?
C20 H20A 0.9300 . ?
C21 C22 1.374(6) . ?
C21 H21A 0.9300 . ?
C22 H22A 0.9300 . ?
Y1 O3 2.266(3) . ?
Y1 O1 2.273(3) . ?
Y1 O8 2.340(3) . ?
Y1 O4 2.363(3) 3_776 ?
Y1 O2 2.370(3) 3_676 ?
Y1 O7 2.382(3) . ?
Y1 O10 2.446(3) . ?
Y1 O9 2.511(3) . ?
O2 Y1 2.370(3) 3_676 ?
O4 Y1 2.363(3) 3_776 ?
O7 H7C 0.946(19) . ?
O7 H7D 0.934(19) . ?
O8 H8C 0.944(19) . ?
O8 H8D 0.945(19) . ?
O9 H9D 0.942(19) . ?
O9 H9C 0.948(19) . ?
O10 H10C 0.938(19) . ?
O10 H10D 0.946(19) . ?
O11 H11C 0.952(19) . ?
O11 H11D 0.943(19) . ?
C23 O5 1.241(6) . ?
C23 O6 1.247(5) . ?
C23 C24 1.532(6) . ?
C24 N5 1.334(5) . ?
C24 C25 1.382(6) . ?
C25 C26 1.364(7) . ?
C25 H25A 0.9300 . ?
C26 N6 1.339(6) . ?
C26 H26A 0.9300 . ?
C27 N5 1.340(5) . ?
C27 N6 1.342(6) . ?
C27 C28 1.481(6) . ?
C28 C33 1.374(7) . ?
C28 C29 1.392(6) . ?
C29 C30 1.387(6) . ?
C29 H29A 0.9300 . ?
C30 C31 1.366(7) . ?
C30 H30A 0.9300 . ?
C31 C32 1.369(8) . ?
C31 H31A 0.9300 . ?
C32 C33 1.387(7) . ?
C32 H32A 0.9300 . ?
C33 H33A 0.9300 . ?

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 C1 O2 125.5(4) . . ?
O1 C1 C2 117.4(3) . . ?
O2 C1 C2 117.1(3) . . ?
N1 C2 C3 121.6(4) . . ?
N1 C2 C1 117.9(3) . . ?
C3 C2 C1 120.5(3) . . ?
C2 C3 C4 116.7(4) . . ?
C2 C3 H3A 121.7 . . ?
C4 C3 H3A 121.7 . . ?
N2 C4 C3 123.1(4) . . ?
N2 C4 H4A 118.4 . . ?
C3 C4 H4A 118.4 . . ?
N2 C5 N1 125.7(4) . . ?
N2 C5 C6 116.8(4) . . ?
N1 C5 C6 117.5(4) . . ?
C7 C6 C11 118.2(4) . . ?
C7 C6 C5 120.8(4) . . ?
C11 C6 C5 121.0(4) . . ?
C6 C7 C8 120.2(5) . . ?
C6 C7 H7A 119.9 . . ?
C8 C7 H7A 119.9 . . ?
C9 C8 C7 120.5(5) . . ?
C9 C8 H8A 119.7 . . ?
C7 C8 H8A 119.7 . . ?
C8 C9 C10 120.4(5) . . ?
C8 C9 H9A 119.8 . . ?
C10 C9 H9A 119.8 . . ?
C9 C10 C11 119.2(5) . . ?
C9 C10 H10A 120.4 . . ?
C11 C10 H10A 120.4 . . ?
C6 C11 C10 121.4(5) . . ?
C6 C11 H11A 119.3 . . ?
C10 C11 H11A 119.3 . . ?
O3 C12 O4 125.5(4) . . ?
O3 C12 C13 117.4(3) . . ?
O4 C12 C13 117.1(4) . . ?
N3 C13 C14 121.2(4) . . ?
N3 C13 C12 117.6(3) . . ?
C14 C13 C12 121.2(4) . . ?
C13 C14 C15 118.1(4) . . ?
C13 C14 H14A 121.0 . . ?
C15 C14 H14A 121.0 . . ?
N4 C15 C14 122.1(4) . . ?
N4 C15 H15A 119.0 . . ?
C14 C15 H15A 119.0 . . ?
N3 C16 N4 125.3(4) . . ?
N3 C16 C17 118.2(4) . . ?
N4 C16 C17 116.5(4) . . ?
C22 C17 C18 118.8(4) . . ?
C22 C17 C16 120.8(4) . . ?
C18 C17 C16 120.4(4) . . ?
C17 C18 C19 120.3(4) . . ?
C17 C18 H18A 119.9 . . ?
C19 C18 H18A 119.9 . . ?
C20 C19 C18 119.9(4) . . ?
C20 C19 H19A 120.1 . . ?
C18 C19 H19A 120.1 . . ?
C21 C20 C19 120.1(4) . . ?
C21 C20 H20A 120.0 . . ?
C19 C20 H20A 120.0 . . ?
C20 C21 C22 119.8(5) . . ?
C20 C21 H21A 120.1 . . ?
C22 C21 H21A 120.1 . . ?
C17 C22 C21 121.1(4) . . ?
C17 C22 H22A 119.4 . . ?
C21 C22 H22A 119.4 . . ?
O3 Y1 O1 138.95(11) . . ?
O3 Y1 O8 73.93(11) . . ?
O1 Y1 O8 146.91(11) . . ?
O3 Y1 O4 98.17(10) . 3_776 ?
O1 Y1 O4 90.08(10) . 3_776 ?
O8 Y1 O4 78.77(11) . 3_776 ?
O3 Y1 O2 95.30(10) . 3_676 ?
O1 Y1 O2 99.83(9) . 3_676 ?
O8 Y1 O2 75.34(10) . 3_676 ?
O4 Y1 O2 146.11(10) 3_776 3_676 ?
O3 Y1 O7 149.14(11) . . ?
O1 Y1 O7 71.91(11) . . ?
O8 Y1 O7 75.31(11) . . ?
O4 Y1 O7 77.99(10) 3_776 . ?
O2 Y1 O7 74.59(10) 3_676 . ?
O3 Y1 O10 73.62(10) . . ?
O1 Y1 O10 75.56(10) . . ?
O8 Y1 O10 130.27(11) . . ?
O4 Y1 O10 142.47(10) 3_776 . ?
O2 Y1 O10 71.30(10) 3_676 . ?
O7 Y1 O10 127.14(10) . . ?
O3 Y1 O9 72.27(11) . . ?
O1 Y1 O9 73.35(10) . . ?
O8 Y1 O9 128.82(10) . . ?
O4 Y1 O9 69.42(10) 3_776 . ?
O2 Y1 O9 144.47(10) 3_676 . ?
O7 Y1 O9 131.60(10) . . ?
O10 Y1 O9 73.25(10) . . ?
C2 N1 C5 117.0(3) . . ?
C4 N2 C5 115.7(4) . . ?
C16 N3 C13 117.0(4) . . ?
C15 N4 C16 116.4(4) . . ?
C1 O1 Y1 176.0(3) . . ?
C1 O2 Y1 132.1(2) . 3_676 ?
C12 O3 Y1 163.2(3) . . ?
C12 O4 Y1 129.6(3) . 3_776 ?
Y1 O7 H7C 124(3) . . ?
Y1 O7 H7D 115(3) . . ?
H7C O7 H7D 108(3) . . ?
Y1 O8 H8C 124(3) . . ?
Y1 O8 H8D 125(3) . . ?
H8C O8 H8D 107(3) . . ?
Y1 O9 H9D 114(3) . . ?
Y1 O9 H9C 105(3) . . ?
H9D O9 H9C 107(3) . . ?
Y1 O10 H10C 104(3) . . ?
Y1 O10 H10D 118(3) . . ?
H10C O10 H10D 107(3) . . ?
H11C O11 H11D 106(3) . . ?
O5 C23 O6 127.3(4) . . ?
O5 C23 C24 117.8(4) . . ?
O6 C23 C24 114.9(4) . . ?
N5 C24 C25 122.2(4) . . ?
N5 C24 C23 117.6(4) . . ?
C25 C24 C23 120.3(4) . . ?
C26 C25 C24 117.0(4) . . ?
C26 C25 H25A 121.5 . . ?
C24 C25 H25A 121.5 . . ?
N6 C26 C25 122.5(5) . . ?
N6 C26 H26A 118.8 . . ?
C25 C26 H26A 118.8 . . ?
N5 C27 N6 125.2(4) . . ?
N5 C27 C28 116.9(4) . . ?
N6 C27 C28 117.8(4) . . ?
C33 C28 C29 119.1(4) . . ?
C33 C28 C27 120.3(4) . . ?
C29 C28 C27 120.6(4) . . ?
C30 C29 C28 120.3(5) . . ?
C30 C29 H29A 119.8 . . ?
C28 C29 H29A 119.8 . . ?
C31 C30 C29 119.9(5) . . ?
C31 C30 H30A 120.0 . . ?
C29 C30 H30A 120.0 . . ?
C30 C31 C32 120.0(5) . . ?
C30 C31 H31A 120.0 . . ?
C32 C31 H31A 120.0 . . ?
C31 C32 C33 120.6(5) . . ?
C31 C32 H32A 119.7 . . ?
C33 C32 H32A 119.7 . . ?
C28 C33 C32 120.0(5) . . ?
C28 C33 H33A 120.0 . . ?
C32 C33 H33A 120.0 . . ?
C24 N5 C27 116.6(4) . . ?
C26 N6 C27 116.5(4) . . ?

_diffrn_measured_fraction_theta_max 0.987
_diffrn_reflns_theta_full        27.61
_diffrn_measured_fraction_theta_full 0.987
_refine_diff_density_max         0.431
_refine_diff_density_min         -0.504
_refine_diff_density_rms         0.084
_database_code_depnum_ccdc_archive 'CCDC 988098'
#######################################################################
#
#                 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_110602a_0m

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C33 H31 Dy0.03 N6 O11 Y0.97'
_chemical_formula_weight         778.76

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Y Y -2.7962 3.5667 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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

_cell_length_a                   10.0820(11)
_cell_length_b                   23.728(3)
_cell_length_c                   14.7194(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 108.449(2)
_cell_angle_gamma                90.00
_cell_volume                     3340.3(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4949
_cell_measurement_theta_min      2.30
_cell_measurement_theta_max      27.35

_exptl_crystal_description       columnar
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.02
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.549
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1595
_exptl_absorpt_coefficient_mu    1.832
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.5747
_exptl_absorpt_correction_T_max  0.9713
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            20142
_diffrn_reflns_av_R_equivalents  0.0431
_diffrn_reflns_av_sigmaI/netI    0.0590
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.69
_diffrn_reflns_theta_max         27.64
_reflns_number_total             7696
_reflns_number_gt                5259
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0465P)²+2.8335P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7696
_refine_ls_number_parameters     491
_refine_ls_number_restraints     15
_refine_ls_R_factor_all          0.0769
_refine_ls_R_factor_gt           0.0446
_refine_ls_wR_factor_ref         0.1149
_refine_ls_wR_factor_gt          0.1037
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_restrained_S_all      1.020
_refine_ls_shift/su_max          0.005
_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
Y1 Y 0.75064(3) 1.005913(11) 0.49893(2) 0.02242(9) Uani 0.98 1 d P . .
Dy1 Dy 0.75064(3) 1.005913(11) 0.49893(2) 0.02242(9) Uani 0.02 1 d P . .
C1 C 0.5671(3) 0.98172(12) 0.6622(2) 0.0243(6) Uani 1 1 d . . .
C2 C 0.6540(3) 0.96378(13) 0.7625(2) 0.0256(6) Uani 1 1 d . . .
C3 C 0.5912(3) 0.94859(16) 0.8294(2) 0.0397(8) Uani 1 1 d . . .
H3A H 0.4950 0.9514 0.8167 0.048 Uiso 1 1 calc R . .
C4 C 0.6779(4) 0.92895(18) 0.9162(3) 0.0488(10) Uani 1 1 d . . .
H4A H 0.6377 0.9164 0.9614 0.059 Uiso 1 1 calc R . .
C5 C 0.8687(3) 0.94490(14) 0.8708(2) 0.0333(7) Uani 1 1 d . . .
C6 C 1.0228(3) 0.94543(15) 0.8949(2) 0.0363(8) Uani 1 1 d . . .
C7 C 1.1049(4) 0.9150(2) 0.9711(3) 0.0707(15) Uani 1 1 d . . .
H7A H 1.0634 0.8937 1.0077 0.085 Uiso 1 1 calc R . .
C8 C 1.2481(4) 0.9156(3) 0.9939(4) 0.0849(18) Uani 1 1 d . . .
H8A H 1.3026 0.8945 1.0454 0.102 Uiso 1 1 calc R . .
C9 C 1.3109(4) 0.9471(2) 0.9414(3) 0.0665(14) Uani 1 1 d . . .
H9A H 1.4078 0.9478 0.9576 0.080 Uiso 1 1 calc R . .
C10 C 1.2310(4) 0.9772(2) 0.8652(3) 0.0643(13) Uani 1 1 d . . .
H10A H 1.2732 0.9981 0.8285 0.077 Uiso 1 1 calc R . .
C11 C 1.0870(4) 0.97681(18) 0.8422(3) 0.0473(10) Uani 1 1 d . . .
H11A H 1.0329 0.9980 0.7906 0.057 Uiso 1 1 calc R . .
C12 C 0.9479(3) 0.93765(12) 0.3762(2) 0.0242(6) Uani 1 1 d . . .
C13 C 0.8620(3) 0.90076(13) 0.2948(2) 0.0274(7) Uani 1 1 d . . .
C14 C 0.9183(4) 0.88130(16) 0.2260(3) 0.0426(9) Uani 1 1 d . . .
H14A H 1.0096 0.8897 0.2288 0.051 Uiso 1 1 calc R . .
C15 C 0.8322(4) 0.84891(19) 0.1533(3) 0.0562(12) Uani 1 1 d . . .
H15A H 0.8679 0.8345 0.1071 0.067 Uiso 1 1 calc R . .
C16 C 0.6545(3) 0.85837(14) 0.2151(2) 0.0305(7) Uani 1 1 d . . .
C17 C 0.5067(3) 0.84662(13) 0.2070(2) 0.0293(7) Uani 1 1 d . . .
C18 C 0.4393(4) 0.79938(15) 0.1571(3) 0.0395(8) Uani 1 1 d . . .
H18A H 0.4876 0.7749 0.1296 0.047 Uiso 1 1 calc R . .
C19 C 0.3018(4) 0.78887(16) 0.1485(3) 0.0470(10) Uani 1 1 d . . .
H19A H 0.2575 0.7573 0.1150 0.056 Uiso 1 1 calc R . .
C20 C 0.2294(4) 0.82475(17) 0.1889(3) 0.0486(10) Uani 1 1 d . . .
H20A H 0.1362 0.8175 0.1826 0.058 Uiso 1 1 calc R . .
C21 C 0.2951(4) 0.87151(19) 0.2388(3) 0.0536(11) Uani 1 1 d . . .
H21A H 0.2465 0.8958 0.2666 0.064 Uiso 1 1 calc R . .
C22 C 0.4328(3) 0.88221(16) 0.2476(3) 0.0398(8) Uani 1 1 d . . .
H22A H 0.4766 0.9138 0.2813 0.048 Uiso 1 1 calc R . .
N1 N 0.7929(3) 0.96192(11) 0.78206(18) 0.0291(6) Uani 1 1 d . . .
N2 N 0.8158(3) 0.92715(14) 0.9378(2) 0.0451(8) Uani 1 1 d . . .
N3 N 0.7300(2) 0.88942(10) 0.29014(18) 0.0258(5) Uani 1 1 d . . .
N4 N 0.7010(3) 0.83749(15) 0.1465(2) 0.0499(9) Uani 1 1 d . . .
O1 O 0.6295(2) 0.99230(9) 0.60344(16) 0.0329(5) Uani 1 1 d . . .
O2 O 0.4374(2) 0.98509(9) 0.64576(15) 0.0295(5) Uani 1 1 d . . .
O3 O 0.8897(2) 0.95635(10) 0.43288(16) 0.0349(5) Uani 1 1 d . . .
O4 O 1.0721(2) 0.94678(9) 0.38166(15) 0.0305(5) Uani 1 1 d . . .
O7 O 0.6384(2) 1.09213(9) 0.51296(17) 0.0327(5) Uani 1 1 d D . .
O8 O 0.8292(2) 1.07010(10) 0.40638(17) 0.0385(6) Uani 1 1 d D . .
O9 O 0.8896(2) 0.93758(10) 0.62202(16) 0.0323(5) Uani 1 1 d D . .
O10 O 0.6414(2) 0.91367(9) 0.45583(16) 0.0322(5) Uani 1 1 d D . .
O11 O 0.7445(3) 0.83504(10) 0.59819(19) 0.0456(6) Uani 1 1 d D . .
C23 C 0.5531(4) 0.15953(15) 0.2944(3) 0.0398(8) Uani 1 1 d . . .
C24 C 0.4636(4) 0.19090(14) 0.2056(3) 0.0359(8) Uani 1 1 d . . .
C25 C 0.5194(4) 0.20601(18) 0.1351(3) 0.0494(10) Uani 1 1 d . . .
H25A H 0.6094 0.1955 0.1376 0.059 Uiso 1 1 calc R . .
C26 C 0.4356(4) 0.23732(19) 0.0611(3) 0.0549(11) Uani 1 1 d . . .
H26A H 0.4724 0.2496 0.0140 0.066 Uiso 1 1 calc R . .
C27 C 0.2573(4) 0.23296(14) 0.1230(2) 0.0362(8) Uani 1 1 d . . .
C28 C 0.1113(4) 0.24659(15) 0.1160(2) 0.0374(8) Uani 1 1 d . . .
C29 C 0.0373(4) 0.28799(15) 0.0541(3) 0.0427(9) Uani 1 1 d . . .
H29A H 0.0790 0.3070 0.0150 0.051 Uiso 1 1 calc R . .
C30 C -0.0975(4) 0.30116(17) 0.0500(3) 0.0499(10) Uani 1 1 d . . .
H30A H -0.1462 0.3290 0.0082 0.060 Uiso 1 1 calc R . .
C31 C -0.1604(4) 0.27349(19) 0.1071(3) 0.0586(11) Uani 1 1 d . . .
H31A H -0.2512 0.2827 0.1043 0.070 Uiso 1 1 calc R . .
C32 C -0.0890(4) 0.2321(2) 0.1683(3) 0.0638(12) Uani 1 1 d . . .
H32A H -0.1316 0.2129 0.2066 0.077 Uiso 1 1 calc R . .
C33 C 0.0462(4) 0.21922(19) 0.1728(3) 0.0550(11) Uani 1 1 d . . .
H33A H 0.0944 0.1915 0.2150 0.066 Uiso 1 1 calc R . .
N5 N 0.3330(3) 0.20375(12) 0.2002(2) 0.0365(7) Uani 1 1 d . . .
N6 N 0.3049(3) 0.25114(14) 0.0527(2) 0.0458(8) Uani 1 1 d . . .
O5 O 0.5056(3) 0.15427(11) 0.36281(19) 0.0504(7) Uani 1 1 d . . .
O6 O 0.6686(3) 0.14311(12) 0.2920(2) 0.0572(8) Uani 1 1 d . . .
H10C H 0.667(4) 0.9042(16) 0.4029(19) 0.071(5) Uiso 1 1 d D . .
H9D H 0.856(4) 0.9002(10) 0.612(3) 0.071(5) Uiso 1 1 d D . .
H7C H 0.599(4) 1.1114(16) 0.4560(18) 0.071(5) Uiso 1 1 d D . .
H7D H 0.573(3) 1.0903(18) 0.546(2) 0.071(5) Uiso 1 1 d D . .
H11C H 0.678(4) 0.8323(16) 0.632(3) 0.071(5) Uiso 1 1 d D . .
H11D H 0.740(4) 0.7994(11) 0.567(3) 0.071(5) Uiso 1 1 d D . .
H8C H 0.771(3) 1.0956(15) 0.363(3) 0.071(5) Uiso 1 1 d D . .
H9C H 0.878(4) 0.9493(15) 0.680(2) 0.071(5) Uiso 1 1 d D . .
H10D H 0.667(4) 0.8851(13) 0.501(2) 0.071(5) Uiso 1 1 d D . .
H8D H 0.915(2) 1.0693(17) 0.394(3) 0.071(5) 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
Y1 O1 2.270(2) . ?
Y1 O3 2.271(2) . ?
Y1 O8 2.342(2) . ?
Y1 O4 2.357(2) 3_776 ?
Y1 O2 2.371(2) 3_676 ?
Y1 O7 2.378(2) . ?
Y1 O10 2.442(2) . ?
Y1 O9 2.504(2) . ?
C1 O1 1.245(4) . ?
C1 O2 1.255(3) . ?
C1 C2 1.520(4) . ?
C2 N1 1.338(4) . ?
C2 C3 1.376(4) . ?
C3 C4 1.381(5) . ?
C3 H3A 0.9300 . ?
C4 N2 1.325(4) . ?
C4 H4A 0.9300 . ?
C5 N2 1.330(4) . ?
C5 N1 1.349(4) . ?
C5 C6 1.480(4) . ?
C6 C7 1.369(5) . ?
C6 C11 1.376(5) . ?
C7 C8 1.375(5) . ?
C7 H7A 0.9300 . ?
C8 C9 1.365(6) . ?
C8 H8A 0.9300 . ?
C9 C10 1.358(6) . ?
C9 H9A 0.9300 . ?
C10 C11 1.383(5) . ?
C10 H10A 0.9300 . ?
C11 H11A 0.9300 . ?
C12 O3 1.243(4) . ?
C12 O4 1.248(3) . ?
C12 C13 1.515(4) . ?
C13 N3 1.338(4) . ?
C13 C14 1.387(5) . ?
C14 C15 1.378(5) . ?
C14 H14A 0.9300 . ?
C15 N4 1.323(4) . ?
C15 H15A 0.9300 . ?
C16 N4 1.336(4) . ?
C16 N3 1.345(4) . ?
C16 C17 1.483(4) . ?
C17 C22 1.381(5) . ?
C17 C18 1.393(4) . ?
C18 C19 1.375(5) . ?
C18 H18A 0.9300 . ?
C19 C20 1.374(5) . ?
C19 H19A 0.9300 . ?
C20 C21 1.379(5) . ?
C20 H20A 0.9300 . ?
C21 C22 1.376(5) . ?
C21 H21A 0.9300 . ?
C22 H22A 0.9300 . ?
O2 Dy1 2.371(2) 3_676 ?
O2 Y1 2.371(2) 3_676 ?
O4 Dy1 2.357(2) 3_776 ?
O4 Y1 2.357(2) 3_776 ?
O7 H7C 0.927(18) . ?
O7 H7D 0.940(18) . ?
O8 H8C 0.941(18) . ?
O8 H8D 0.944(18) . ?
O9 H9D 0.945(18) . ?
O9 H9C 0.942(18) . ?
O10 H10C 0.923(18) . ?
O10 H10D 0.926(18) . ?
O11 H11C 0.955(18) . ?
O11 H11D 0.959(18) . ?
C23 O6 1.239(4) . ?
C23 O5 1.251(4) . ?
C23 C24 1.527(5) . ?
C24 N5 1.329(4) . ?
C24 C25 1.376(5) . ?
C25 C26 1.367(5) . ?
C25 H25A 0.9300 . ?
C26 N6 1.325(5) . ?
C26 H26A 0.9300 . ?
C27 N6 1.343(4) . ?
C27 N5 1.343(4) . ?
C27 C28 1.478(5) . ?
C28 C33 1.378(5) . ?
C28 C29 1.386(5) . ?
C29 C30 1.378(5) . ?
C29 H29A 0.9300 . ?
C30 C31 1.369(6) . ?
C30 H30A 0.9300 . ?
C31 C32 1.372(6) . ?
C31 H31A 0.9300 . ?
C32 C33 1.378(5) . ?
C32 H32A 0.9300 . ?
C33 H33A 0.9300 . ?

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 Y1 O3 138.94(8) . . ?
O1 Y1 O8 147.18(9) . . ?
O3 Y1 O8 73.71(9) . . ?
O1 Y1 O4 90.34(8) . 3_776 ?
O3 Y1 O4 98.09(8) . 3_776 ?
O8 Y1 O4 78.92(8) . 3_776 ?
O1 Y1 O2 99.96(8) . 3_676 ?
O3 Y1 O2 95.08(8) . 3_676 ?
O8 Y1 O2 74.95(8) . 3_676 ?
O4 Y1 O2 146.01(7) 3_776 3_676 ?
O1 Y1 O7 71.99(8) . . ?
O3 Y1 O7 149.07(8) . . ?
O8 Y1 O7 75.46(8) . . ?
O4 Y1 O7 78.16(8) 3_776 . ?
O2 Y1 O7 74.54(8) 3_676 . ?
O1 Y1 O10 75.71(8) . . ?
O3 Y1 O10 73.36(8) . . ?
O8 Y1 O10 129.76(9) . . ?
O4 Y1 O10 142.54(8) 3_776 . ?
O2 Y1 O10 71.38(8) 3_676 . ?
O7 Y1 O10 127.27(8) . . ?
O1 Y1 O9 73.46(8) . . ?
O3 Y1 O9 72.20(8) . . ?
O8 Y1 O9 128.83(8) . . ?
O4 Y1 O9 69.52(8) 3_776 . ?
O2 Y1 O9 144.47(8) 3_676 . ?
O7 Y1 O9 131.83(8) . . ?
O10 Y1 O9 73.19(7) . . ?
O1 C1 O2 125.3(3) . . ?
O1 C1 C2 117.9(3) . . ?
O2 C1 C2 116.7(3) . . ?
N1 C2 C3 121.7(3) . . ?
N1 C2 C1 117.4(3) . . ?
C3 C2 C1 120.9(3) . . ?
C2 C3 C4 116.7(3) . . ?
C2 C3 H3A 121.6 . . ?
C4 C3 H3A 121.6 . . ?
N2 C4 C3 122.9(3) . . ?
N2 C4 H4A 118.6 . . ?
C3 C4 H4A 118.6 . . ?
N2 C5 N1 125.2(3) . . ?
N2 C5 C6 117.5(3) . . ?
N1 C5 C6 117.4(3) . . ?
C7 C6 C11 118.4(3) . . ?
C7 C6 C5 120.6(3) . . ?
C11 C6 C5 121.0(3) . . ?
C6 C7 C8 120.7(4) . . ?
C6 C7 H7A 119.6 . . ?
C8 C7 H7A 119.6 . . ?
C9 C8 C7 120.4(4) . . ?
C9 C8 H8A 119.8 . . ?
C7 C8 H8A 119.8 . . ?
C10 C9 C8 119.7(4) . . ?
C10 C9 H9A 120.2 . . ?
C8 C9 H9A 120.2 . . ?
C9 C10 C11 120.1(4) . . ?
C9 C10 H10A 120.0 . . ?
C11 C10 H10A 120.0 . . ?
C6 C11 C10 120.7(4) . . ?
C6 C11 H11A 119.6 . . ?
C10 C11 H11A 119.6 . . ?
O3 C12 O4 124.9(3) . . ?
O3 C12 C13 117.6(3) . . ?
O4 C12 C13 117.5(3) . . ?
N3 C13 C14 121.7(3) . . ?
N3 C13 C12 117.8(3) . . ?
C14 C13 C12 120.4(3) . . ?
C15 C14 C13 116.7(3) . . ?
C15 C14 H14A 121.6 . . ?
C13 C14 H14A 121.6 . . ?
N4 C15 C14 122.8(3) . . ?
N4 C15 H15A 118.6 . . ?
C14 C15 H15A 118.6 . . ?
N4 C16 N3 125.5(3) . . ?
N4 C16 C17 116.9(3) . . ?
N3 C16 C17 117.5(3) . . ?
C22 C17 C18 118.7(3) . . ?
C22 C17 C16 121.1(3) . . ?
C18 C17 C16 120.2(3) . . ?
C19 C18 C17 120.3(3) . . ?
C19 C18 H18A 119.9 . . ?
C17 C18 H18A 119.9 . . ?
C20 C19 C18 120.4(3) . . ?
C20 C19 H19A 119.8 . . ?
C18 C19 H19A 119.8 . . ?
C19 C20 C21 119.9(3) . . ?
C19 C20 H20A 120.1 . . ?
C21 C20 H20A 120.1 . . ?
C22 C21 C20 119.9(4) . . ?
C22 C21 H21A 120.0 . . ?
C20 C21 H21A 120.0 . . ?
C21 C22 C17 120.9(3) . . ?
C21 C22 H22A 119.6 . . ?
C17 C22 H22A 119.6 . . ?
C2 N1 C5 116.8(3) . . ?
C4 N2 C5 116.6(3) . . ?
C13 N3 C16 116.6(3) . . ?
C15 N4 C16 116.7(3) . . ?
C1 O1 Y1 176.2(2) . . ?
C1 O2 Dy1 131.83(19) . 3_676 ?
C1 O2 Y1 131.83(19) . 3_676 ?
Dy1 O2 Y1 0.000(12) 3_676 3_676 ?
C12 O3 Y1 163.4(2) . . ?
C12 O4 Dy1 129.7(2) . 3_776 ?
C12 O4 Y1 129.7(2) . 3_776 ?
Dy1 O4 Y1 0.000(17) 3_776 3_776 ?
Y1 O7 H7C 115(3) . . ?
Y1 O7 H7D 116(3) . . ?
H7C O7 H7D 109(2) . . ?
Y1 O8 H8C 124(2) . . ?
Y1 O8 H8D 127(2) . . ?
H8C O8 H8D 107(2) . . ?
Y1 O9 H9D 114(3) . . ?
Y1 O9 H9C 105(3) . . ?
H9D O9 H9C 106(2) . . ?
Y1 O10 H10C 102(3) . . ?
Y1 O10 H10D 118(3) . . ?
H10C O10 H10D 110(2) . . ?
H11C O11 H11D 105(2) . . ?
O6 C23 O5 126.4(3) . . ?
O6 C23 C24 115.8(3) . . ?
O5 C23 C24 117.7(3) . . ?
N5 C24 C25 122.0(3) . . ?
N5 C24 C23 118.0(3) . . ?
C25 C24 C23 120.1(3) . . ?
C26 C25 C24 116.4(3) . . ?
C26 C25 H25A 121.8 . . ?
C24 C25 H25A 121.8 . . ?
N6 C26 C25 123.7(4) . . ?
N6 C26 H26A 118.2 . . ?
C25 C26 H26A 118.2 . . ?
N6 C27 N5 124.8(3) . . ?
N6 C27 C28 117.8(3) . . ?
N5 C27 C28 117.4(3) . . ?
C33 C28 C29 118.1(3) . . ?
C33 C28 C27 120.6(3) . . ?
C29 C28 C27 121.2(3) . . ?
C30 C29 C28 120.5(4) . . ?
C30 C29 H29A 119.7 . . ?
C28 C29 H29A 119.7 . . ?
C31 C30 C29 120.4(4) . . ?
C31 C30 H30A 119.8 . . ?
C29 C30 H30A 119.8 . . ?
C30 C31 C32 119.8(4) . . ?
C30 C31 H31A 120.1 . . ?
C32 C31 H31A 120.1 . . ?
C31 C32 C33 119.7(4) . . ?
C31 C32 H32A 120.1 . . ?
C33 C32 H32A 120.1 . . ?
C32 C33 C28 121.3(4) . . ?
C32 C33 H33A 119.3 . . ?
C28 C33 H33A 119.3 . . ?
C24 N5 C27 117.2(3) . . ?
C26 N6 C27 115.9(3) . . ?

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        27.64
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         0.857
_refine_diff_density_min         -0.517
_refine_diff_density_rms         0.075
_database_code_depnum_ccdc_archive 'CCDC 988099'
