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

#######################################################################
#
#                 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

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46 H31 Dy3 N2 O20'
_chemical_formula_weight         1419.23

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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
_symmetry_space_group_name_Hall  '-P 2ybc'

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                   12.3512(7)
_cell_length_b                   20.7502(12)
_cell_length_c                   18.8896(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.7590(10)
_cell_angle_gamma                90.00
_cell_volume                     4840.8(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9097
_cell_measurement_theta_min      2.56
_cell_measurement_theta_max      29.40

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.947
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2716
_exptl_absorpt_coefficient_mu    4.663
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.3885
_exptl_absorpt_correction_T_max  0.5224
_exptl_absorpt_process_details   '(SADABS; Bruker 2008)'

_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            45886
_diffrn_reflns_av_R_equivalents  0.0304
_diffrn_reflns_av_sigmaI/netI    0.0324
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.21
_diffrn_reflns_theta_max         29.66
_reflns_number_total             12792
_reflns_number_gt                10152
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0296P)^2^+6.9779P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         12792
_refine_ls_number_parameters     640
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0439
_refine_ls_R_factor_gt           0.0256
_refine_ls_wR_factor_ref         0.0647
_refine_ls_wR_factor_gt          0.0566
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_restrained_S_all      1.001
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.283382(12) 0.610081(7) 0.279723(8) 0.01629(4) Uani 1 1 d . . .
Dy2 Dy 0.576134(12) 0.615105(7) 0.236698(8) 0.01705(4) Uani 1 1 d . . .
Dy3 Dy 0.936143(12) 0.576347(7) 0.214354(9) 0.01873(4) Uani 1 1 d . . .
O1 O 0.6706(2) 0.62036(13) 0.13266(14) 0.0307(6) Uani 1 1 d . . .
O2 O 0.8255(2) 0.56973(18) 0.11911(17) 0.0490(9) Uani 1 1 d . . .
O3 O 0.4702(2) 0.48233(12) -0.17609(15) 0.0302(6) Uani 1 1 d . . .
O4 O 0.5967(2) 0.40809(12) -0.17389(13) 0.0238(5) Uani 1 1 d . . .
O5 O 1.0027(3) 0.57285(19) 0.32448(18) 0.0605(10) Uani 1 1 d . . .
O6 O 1.1725(3) 0.55231(16) 0.35667(17) 0.0479(9) Uani 1 1 d . . .
O7 O 1.0652(2) 0.50534(13) 0.19077(19) 0.0438(8) Uani 1 1 d . . .
O8 O 1.2370(2) 0.51530(12) 0.22454(15) 0.0319(6) Uani 1 1 d . . .
O9 O 1.1186(2) 0.17511(14) 0.2512(2) 0.0503(9) Uani 1 1 d . . .
O10 O 1.2911(2) 0.18418(12) 0.22485(15) 0.0328(6) Uani 1 1 d . . .
O11 O 0.5298(2) 0.72287(12) 0.18543(15) 0.0320(6) Uani 1 1 d . . .
O12 O 0.42094(19) 0.69049(11) 0.26912(13) 0.0231(5) Uani 1 1 d . . .
O13 O 0.2977(3) 1.03688(12) 0.22844(18) 0.0428(8) Uani 1 1 d . . .
O14 O 0.1537(3) 0.98269(16) 0.2587(2) 0.0662(12) Uani 1 1 d . . .
O15 O 0.44335(19) 0.55848(11) 0.31899(13) 0.0214(5) Uani 1 1 d . . .
O16 O 0.5765(2) 0.61585(14) 0.36437(14) 0.0338(7) Uani 1 1 d . . .
O17 O 0.3202(2) 0.64657(14) 0.40219(15) 0.0359(7) Uani 1 1 d . . .
O18 O 0.1862(2) 0.69079(13) 0.34192(14) 0.0306(6) Uani 1 1 d . . .
O19 O 0.0343(3) 0.86424(17) 0.63735(19) 0.0520(9) Uani 1 1 d . . .
O20 O 0.1857(3) 0.83926(15) 0.69388(15) 0.0415(8) Uani 1 1 d . . .
C1 C 0.6918(3) 0.55430(19) 0.0310(2) 0.0267(8) Uani 1 1 d . . .
C2 C 0.7450(3) 0.5019(2) 0.0017(2) 0.0407(11) Uani 1 1 d . . .
H2A H 0.8092 0.4871 0.0222 0.049 Uiso 1 1 calc R . .
C3 C 0.7027(3) 0.4718(2) -0.0575(2) 0.0373(10) Uani 1 1 d . . .
H3A H 0.7370 0.4357 -0.0759 0.045 Uiso 1 1 calc R . .
C4 C 0.6094(3) 0.49519(17) -0.08986(19) 0.0230(7) Uani 1 1 d . . .
C5 C 0.5582(3) 0.54884(19) -0.0622(2) 0.0295(8) Uani 1 1 d . . .
H5A H 0.4964 0.5652 -0.0844 0.035 Uiso 1 1 calc R . .
C6 C 0.5988(3) 0.57801(19) -0.0016(2) 0.0311(9) Uani 1 1 d . . .
H6A H 0.5637 0.6136 0.0173 0.037 Uiso 1 1 calc R . .
C7 C 0.7323(3) 0.58358(19) 0.0989(2) 0.0279(8) Uani 1 1 d . . .
C8 C 0.5573(3) 0.46099(17) -0.15067(19) 0.0211(7) Uani 1 1 d . . .
C9 C 0.9283(4) 0.5073(3) 0.4445(2) 0.0499(13) Uani 1 1 d . . .
H9 H 0.8797 0.5124 0.4069 0.060 Uiso 1 1 calc R . .
C10 C 1.0353(3) 0.5247(2) 0.4364(2) 0.0366(10) Uani 1 1 d . . .
C11 C 1.1071(3) 0.5175(3) 0.4922(2) 0.0486(13) Uani 1 1 d . . .
H11 H 1.1792 0.5294 0.4872 0.058 Uiso 1 1 calc R . .
C12 C 1.0734(4) 0.5511(2) 0.3674(2) 0.0404(11) Uani 1 1 d . . .
C13 C 1.1667(3) 0.41059(17) 0.2105(2) 0.0296(9) Uani 1 1 d . . .
C14 C 1.0752(3) 0.37184(19) 0.2072(3) 0.0479(13) Uani 1 1 d . . .
H14A H 1.0074 0.3904 0.2000 0.057 Uiso 1 1 calc R . .
C15 C 1.0845(3) 0.30536(19) 0.2145(3) 0.0454(12) Uani 1 1 d . . .
H15A H 1.0230 0.2795 0.2140 0.054 Uiso 1 1 calc R . .
C16 C 1.1864(3) 0.27820(17) 0.2227(2) 0.0313(9) Uani 1 1 d . . .
C17 C 1.2776(3) 0.31693(18) 0.2239(3) 0.0381(11) Uani 1 1 d . . .
H17A H 1.3458 0.2983 0.2285 0.046 Uiso 1 1 calc R . .
C18 C 1.2679(3) 0.38308(18) 0.2183(3) 0.0360(10) Uani 1 1 d . . .
H18A H 1.3293 0.4090 0.2197 0.043 Uiso 1 1 calc R . .
C19 C 1.1559(3) 0.48245(16) 0.2080(2) 0.0253(8) Uani 1 1 d . . .
C20 C 1.1997(3) 0.20740(17) 0.2337(2) 0.0277(8) Uani 1 1 d . . .
C21 C 0.4053(3) 0.80038(17) 0.2308(2) 0.0242(7) Uani 1 1 d . . .
C22 C 0.4467(3) 0.85141(19) 0.1937(3) 0.0383(11) Uani 1 1 d . . .
H22A H 0.5069 0.8454 0.1654 0.046 Uiso 1 1 calc R . .
C23 C 0.3992(3) 0.91206(18) 0.1979(3) 0.0381(10) Uani 1 1 d . . .
H23A H 0.4294 0.9465 0.1737 0.046 Uiso 1 1 calc R . .
C24 C 0.3085(3) 0.92147(17) 0.2373(2) 0.0292(9) Uani 1 1 d . . .
C25 C 0.2664(4) 0.8700(2) 0.2739(3) 0.0569(16) Uani 1 1 d . . .
H25A H 0.2044 0.8757 0.3005 0.068 Uiso 1 1 calc R . .
C26 C 0.3147(4) 0.8103(2) 0.2716(3) 0.0504(14) Uani 1 1 d . . .
H26A H 0.2862 0.7764 0.2976 0.060 Uiso 1 1 calc R . .
C27 C 0.4543(3) 0.73436(16) 0.22708(19) 0.0212(7) Uani 1 1 d . . .
C28 C 0.2511(3) 0.98501(18) 0.2419(3) 0.0363(10) Uani 1 1 d . . .
C29 C 0.4175(3) 0.4932(2) 0.4505(2) 0.0353(10) Uani 1 1 d . . .
H29 H 0.3617 0.4887 0.4173 0.042 Uiso 1 1 calc R . .
C30 C 0.5014(3) 0.53571(18) 0.43777(19) 0.0246(8) Uani 1 1 d . . .
C31 C 0.5838(3) 0.5424(2) 0.4881(2) 0.0364(10) Uani 1 1 d . . .
H31 H 0.6401 0.5712 0.4802 0.044 Uiso 1 1 calc R . .
C32 C 0.5067(3) 0.57320(18) 0.37106(19) 0.0234(7) Uani 1 1 d . . .
C33 C 0.2118(3) 0.7243(2) 0.4616(2) 0.0297(8) Uani 1 1 d . . .
C34 C 0.1428(4) 0.7762(2) 0.4539(2) 0.0445(12) Uani 1 1 d . . .
H34A H 0.1152 0.7867 0.4093 0.053 Uiso 1 1 calc R . .
C35 C 0.1144(4) 0.8126(2) 0.5120(2) 0.0426(11) Uani 1 1 d . . .
H35A H 0.0667 0.8470 0.5066 0.051 Uiso 1 1 calc R . .
C36 C 0.1567(3) 0.7981(2) 0.5781(2) 0.0306(9) Uani 1 1 d . . .
C37 C 0.2269(4) 0.7467(3) 0.5859(2) 0.0465(12) Uani 1 1 d . . .
H37A H 0.2557 0.7367 0.6303 0.056 Uiso 1 1 calc R . .
C38 C 0.2542(4) 0.7101(2) 0.5277(2) 0.0453(12) Uani 1 1 d . . .
H38A H 0.3015 0.6755 0.5331 0.054 Uiso 1 1 calc R . .
C39 C 0.2417(3) 0.68460(19) 0.3981(2) 0.0282(8) Uani 1 1 d . . .
C40 C 0.1241(3) 0.83691(19) 0.6414(2) 0.0306(9) Uani 1 1 d . . .
C41 C 0.7178(7) 0.7098(5) 0.4512(4) 0.117(4) Uani 1 1 d . . .
H41A H 0.7011 0.6998 0.4043 0.140 Uiso 1 1 calc R . .
C42 C 0.8175(8) 0.7052(5) 0.4802(5) 0.120(4) Uani 1 1 d . . .
H42A H 0.8815 0.6908 0.4602 0.145 Uiso 1 1 calc R . .
C43 C 0.6982(9) 0.7394(4) 0.5598(5) 0.108(3) Uani 1 1 d . . .
H43 H 0.6689 0.7517 0.6029 0.129 Uiso 1 1 calc R . .
C44 C 0.5370(14) 0.7347(6) 0.4968(7) 0.173(7) Uani 1 1 d . . .
H44A H 0.5036 0.6924 0.4979 0.207 Uiso 1 1 calc R . .
H44B H 0.5114 0.7599 0.5365 0.207 Uiso 1 1 calc R . .
C45 C 0.5168(11) 0.7644(7) 0.4354(9) 0.211(7) Uani 1 1 d . . .
H45A H 0.4401 0.7693 0.4289 0.317 Uiso 1 1 calc R . .
H45B H 0.5454 0.7392 0.3974 0.317 Uiso 1 1 calc R . .
H45C H 0.5505 0.8061 0.4359 0.317 Uiso 1 1 calc R . .
C46 C 0.9095(12) 0.6962(11) 0.5950(7) 0.355(16) Uani 1 1 d . . .
H46A H 0.9021 0.7082 0.6437 0.532 Uiso 1 1 calc R . .
H46B H 0.9758 0.7135 0.5771 0.532 Uiso 1 1 calc R . .
H46C H 0.9108 0.6500 0.5912 0.532 Uiso 1 1 calc R . .
N1 N 0.6467(6) 0.7303(3) 0.4976(4) 0.101(3) Uani 1 1 d . . .
N2 N 0.7997(9) 0.7268(4) 0.5455(5) 0.140(3) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Dy1 0.01944(8) 0.01573(7) 0.01376(8) 0.00046(6) 0.00253(6) -0.00091(5)
Dy2 0.02038(8) 0.01356(7) 0.01722(8) -0.00045(6) 0.00041(6) -0.00014(6)
Dy3 0.01804(7) 0.01290(7) 0.02525(9) 0.00120(6) 0.00048(6) 0.00034(6)
O1 0.0352(15) 0.0332(15) 0.0240(15) -0.0075(12) 0.0073(11) -0.0020(12)
O2 0.0276(15) 0.080(3) 0.0390(19) -0.0273(17) -0.0141(13) 0.0081(15)
O3 0.0328(14) 0.0265(14) 0.0311(16) -0.0105(12) -0.0090(11) 0.0029(11)
O4 0.0272(13) 0.0231(13) 0.0212(14) -0.0023(11) 0.0020(10) -0.0006(10)
O5 0.086(3) 0.069(3) 0.0260(18) 0.0155(17) -0.0081(18) -0.020(2)
O6 0.061(2) 0.0468(19) 0.0365(19) 0.0011(15) 0.0270(15) -0.0231(16)
O7 0.0301(15) 0.0217(14) 0.080(3) 0.0008(15) 0.0098(15) 0.0087(12)
O8 0.0362(15) 0.0208(13) 0.0390(17) -0.0061(12) 0.0102(12) -0.0070(11)
O9 0.0399(17) 0.0230(15) 0.088(3) 0.0147(16) 0.0023(17) -0.0048(13)
O10 0.0418(16) 0.0207(13) 0.0357(17) 0.0045(12) 0.0005(12) 0.0122(11)
O11 0.0342(14) 0.0205(13) 0.0417(17) 0.0048(12) 0.0154(12) 0.0077(11)
O12 0.0307(13) 0.0120(11) 0.0268(14) 0.0002(10) 0.0050(11) 0.0001(9)
O13 0.0562(19) 0.0131(12) 0.058(2) 0.0006(13) -0.0301(16) -0.0038(12)
O14 0.0362(18) 0.0333(18) 0.130(4) -0.013(2) 0.015(2) 0.0155(14)
O15 0.0276(12) 0.0207(12) 0.0159(13) 0.0013(10) -0.0012(10) 0.0020(10)
O16 0.0394(16) 0.0426(17) 0.0194(14) 0.0065(12) -0.0033(11) -0.0150(13)
O17 0.0359(15) 0.0432(17) 0.0288(16) -0.0116(13) 0.0035(12) 0.0099(13)
O18 0.0386(15) 0.0308(14) 0.0226(15) -0.0063(12) 0.0040(11) 0.0049(12)
O19 0.0435(18) 0.056(2) 0.057(2) -0.0323(18) 0.0102(16) 0.0052(16)
O20 0.063(2) 0.0402(17) 0.0213(16) -0.0085(13) 0.0002(14) -0.0241(15)
C1 0.0232(17) 0.036(2) 0.021(2) -0.0059(16) 0.0006(14) -0.0022(15)
C2 0.030(2) 0.056(3) 0.036(3) -0.020(2) -0.0102(18) 0.0166(19)
C3 0.035(2) 0.040(2) 0.036(3) -0.017(2) -0.0067(18) 0.0151(18)
C4 0.0265(17) 0.0263(18) 0.0162(18) -0.0047(15) 0.0001(13) -0.0019(14)
C5 0.0303(19) 0.032(2) 0.026(2) -0.0063(17) -0.0076(15) 0.0027(16)
C6 0.034(2) 0.029(2) 0.030(2) -0.0109(17) -0.0033(16) 0.0046(16)
C7 0.032(2) 0.035(2) 0.0168(19) -0.0055(16) 0.0024(15) -0.0051(16)
C8 0.0255(17) 0.0203(17) 0.0174(18) -0.0004(14) -0.0007(13) -0.0043(13)
C9 0.038(2) 0.086(4) 0.025(2) 0.018(2) -0.0078(18) -0.021(2)
C10 0.037(2) 0.053(3) 0.019(2) 0.0108(19) 0.0038(16) -0.0114(19)
C11 0.029(2) 0.088(4) 0.029(2) 0.018(2) 0.0010(17) -0.021(2)
C12 0.057(3) 0.044(3) 0.020(2) 0.0009(19) 0.0057(19) -0.023(2)
C13 0.0263(18) 0.0121(16) 0.051(3) 0.0002(16) 0.0027(17) 0.0018(13)
C14 0.0211(19) 0.0176(19) 0.105(4) 0.008(2) -0.003(2) 0.0027(15)
C15 0.0218(19) 0.0178(19) 0.096(4) 0.006(2) 0.000(2) -0.0036(15)
C16 0.0268(18) 0.0135(16) 0.054(3) 0.0038(17) 0.0022(17) 0.0024(14)
C17 0.0216(18) 0.0218(19) 0.071(3) 0.009(2) 0.0025(19) 0.0049(15)
C18 0.0192(17) 0.0211(18) 0.068(3) 0.0077(19) -0.0007(18) -0.0029(14)
C19 0.0273(18) 0.0135(16) 0.035(2) -0.0022(15) 0.0128(15) 0.0012(13)
C20 0.035(2) 0.0124(16) 0.035(2) 0.0045(15) -0.0007(17) 0.0032(14)
C21 0.0235(17) 0.0170(16) 0.032(2) -0.0006(15) 0.0011(14) 0.0009(13)
C22 0.038(2) 0.0224(19) 0.055(3) 0.0063(19) 0.021(2) 0.0060(16)
C23 0.042(2) 0.0153(18) 0.057(3) 0.0119(18) 0.015(2) 0.0026(16)
C24 0.0236(17) 0.0145(16) 0.049(3) -0.0029(17) -0.0021(16) 0.0029(13)
C25 0.048(3) 0.026(2) 0.098(5) 0.009(3) 0.041(3) 0.0113(19)
C26 0.056(3) 0.020(2) 0.075(4) 0.013(2) 0.035(3) 0.0092(19)
C27 0.0207(16) 0.0176(16) 0.025(2) -0.0001(14) -0.0019(14) -0.0006(12)
C28 0.034(2) 0.0174(18) 0.057(3) -0.0064(18) -0.0108(19) 0.0069(15)
C29 0.029(2) 0.047(3) 0.029(2) 0.0130(19) -0.0117(16) -0.0113(18)
C30 0.0266(18) 0.0304(19) 0.0168(18) 0.0032(15) -0.0009(14) 0.0000(15)
C31 0.032(2) 0.048(3) 0.030(2) 0.014(2) -0.0095(17) -0.0160(18)
C32 0.0263(17) 0.0275(18) 0.0166(18) 0.0033(15) 0.0015(13) 0.0037(14)
C33 0.0314(19) 0.036(2) 0.022(2) -0.0110(17) 0.0021(15) 0.0058(16)
C34 0.061(3) 0.050(3) 0.022(2) -0.009(2) -0.006(2) 0.021(2)
C35 0.054(3) 0.046(3) 0.027(2) -0.011(2) -0.007(2) 0.023(2)
C36 0.0280(19) 0.040(2) 0.024(2) -0.0142(17) 0.0041(15) -0.0012(16)
C37 0.048(3) 0.069(3) 0.022(2) -0.011(2) -0.0065(19) 0.023(2)
C38 0.052(3) 0.056(3) 0.028(2) -0.010(2) -0.004(2) 0.028(2)
C39 0.034(2) 0.029(2) 0.022(2) -0.0061(16) 0.0083(16) -0.0028(16)
C40 0.033(2) 0.032(2) 0.026(2) -0.0132(17) 0.0094(16) -0.0120(16)
C41 0.112(6) 0.154(8) 0.086(6) -0.062(6) 0.044(5) -0.071(6)
C42 0.115(7) 0.158(9) 0.089(6) -0.061(6) 0.036(5) -0.071(6)
C43 0.151(8) 0.098(6) 0.075(6) -0.046(5) 0.031(6) -0.028(6)
C44 0.27(2) 0.096(8) 0.149(12) 0.031(8) 0.053(13) 0.033(10)
C45 0.166(13) 0.150(13) 0.32(2) -0.095(14) 0.000(15) -0.040(11)
C46 0.247(17) 0.71(4) 0.109(10) 0.007(17) -0.041(11) -0.29(2)
N1 0.097(5) 0.080(4) 0.127(7) -0.045(4) 0.046(5) -0.043(4)
N2 0.173(9) 0.150(8) 0.099(6) -0.023(5) 0.059(6) -0.046(7)

_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 O20 2.267(3) 4_575 ?
Dy1 O8 2.295(3) 1_455 ?
Dy1 O6 2.341(3) 1_455 ?
Dy1 O15 2.358(2) . ?
Dy1 O18 2.380(3) . ?
Dy1 O12 2.391(2) . ?
Dy1 O17 2.471(3) . ?
Dy1 O4 2.532(2) 3_665 ?
Dy1 C39 2.773(4) . ?
Dy1 Dy2 3.7180(3) . ?
Dy2 O10 2.289(3) 2_755 ?
Dy2 O1 2.301(3) . ?
Dy2 O13 2.338(3) 2_645 ?
Dy2 O3 2.389(3) 3_665 ?
Dy2 O16 2.412(3) . ?
Dy2 O4 2.475(3) 3_665 ?
Dy2 O11 2.500(3) . ?
Dy2 O12 2.555(2) . ?
Dy2 O15 2.560(2) . ?
Dy2 C8 2.789(3) 3_665 ?
Dy2 C32 2.827(3) . ?
Dy2 C27 2.901(3) . ?
Dy3 O7 2.220(3) . ?
Dy3 O5 2.228(3) . ?
Dy3 O2 2.249(3) . ?
Dy3 O9 2.257(3) 2_755 ?
Dy3 O19 2.270(3) 4_675 ?
Dy3 O14 2.299(3) 2_645 ?
O1 C7 1.259(4) . ?
O2 C7 1.243(5) . ?
O3 C8 1.253(4) . ?
O3 Dy2 2.389(3) 3_665 ?
O4 C8 1.281(4) . ?
O4 Dy2 2.475(3) 3_665 ?
O4 Dy1 2.532(2) 3_665 ?
O5 C12 1.267(6) . ?
O6 C12 1.243(5) . ?
O6 Dy1 2.341(3) 1_655 ?
O7 C19 1.256(5) . ?
O8 C19 1.247(4) . ?
O8 Dy1 2.295(3) 1_655 ?
O9 C20 1.253(5) . ?
O9 Dy3 2.257(3) 2_745 ?
O10 C20 1.241(4) . ?
O10 Dy2 2.289(3) 2_745 ?
O11 C27 1.251(4) . ?
O12 C27 1.280(4) . ?
O13 C28 1.248(5) . ?
O13 Dy2 2.338(3) 2_655 ?
O14 C28 1.249(5) . ?
O14 Dy3 2.299(3) 2_655 ?
O15 C32 1.285(4) . ?
O16 C32 1.243(4) . ?
O17 C39 1.253(5) . ?
O18 C39 1.263(5) . ?
O19 C40 1.247(5) . ?
O19 Dy3 2.270(3) 4_476 ?
O20 C40 1.242(5) . ?
O20 Dy1 2.267(3) 4_576 ?
C1 C6 1.386(5) . ?
C1 C2 1.388(5) . ?
C1 C7 1.499(5) . ?
C2 C3 1.378(6) . ?
C2 H2A 0.9300 . ?
C3 C4 1.384(5) . ?
C3 H3A 0.9300 . ?
C4 C5 1.386(5) . ?
C4 C8 1.490(5) . ?
C5 C6 1.383(5) . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9300 . ?
C8 Dy2 2.789(3) 3_665 ?
C9 C11 1.379(6) 3_766 ?
C9 C10 1.380(6) . ?
C9 H9 0.9300 . ?
C10 C11 1.375(6) . ?
C10 C12 1.497(5) . ?
C11 C9 1.379(6) 3_766 ?
C11 H11 0.9300 . ?
C13 C18 1.380(5) . ?
C13 C14 1.388(5) . ?
C13 C19 1.498(5) . ?
C14 C15 1.391(5) . ?
C14 H14A 0.9300 . ?
C15 C16 1.386(5) . ?
C15 H15A 0.9300 . ?
C16 C17 1.384(5) . ?
C16 C20 1.493(5) . ?
C17 C18 1.382(5) . ?
C17 H17A 0.9300 . ?
C18 H18A 0.9300 . ?
C21 C22 1.373(5) . ?
C21 C26 1.381(5) . ?
C21 C27 1.500(5) . ?
C22 C23 1.391(5) . ?
C22 H22A 0.9300 . ?
C23 C24 1.366(5) . ?
C23 H23A 0.9300 . ?
C24 C25 1.377(6) . ?
C24 C28 1.500(5) . ?
C25 C26 1.377(6) . ?
C25 H25A 0.9300 . ?
C26 H26A 0.9300 . ?
C29 C31 1.375(5) 3_666 ?
C29 C30 1.385(5) . ?
C29 H29 0.9300 . ?
C30 C31 1.390(5) . ?
C30 C32 1.483(5) . ?
C31 C29 1.375(5) 3_666 ?
C31 H31 0.9300 . ?
C33 C34 1.379(6) . ?
C33 C38 1.380(6) . ?
C33 C39 1.505(5) . ?
C34 C35 1.382(6) . ?
C34 H34A 0.9300 . ?
C35 C36 1.380(6) . ?
C35 H35A 0.9300 . ?
C36 C37 1.382(6) . ?
C36 C40 1.499(5) . ?
C37 C38 1.382(6) . ?
C37 H37A 0.9300 . ?
C38 H38A 0.9300 . ?
C41 N1 1.319(9) . ?
C41 C42 1.345(12) . ?
C41 H41A 0.9300 . ?
C42 N2 1.332(10) . ?
C42 H42A 0.9300 . ?
C43 N2 1.313(11) . ?
C43 N1 1.343(11) . ?
C43 H43 0.9300 . ?
C44 C45 1.334(17) . ?
C44 N1 1.358(16) . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 N2 1.755(19) . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O20 Dy1 O8 86.85(11) 4_575 1_455 ?
O20 Dy1 O6 111.78(13) 4_575 1_455 ?
O8 Dy1 O6 72.45(10) 1_455 1_455 ?
O20 Dy1 O15 150.62(10) 4_575 . ?
O8 Dy1 O15 87.54(9) 1_455 . ?
O6 Dy1 O15 93.84(11) 1_455 . ?
O20 Dy1 O18 76.08(10) 4_575 . ?
O8 Dy1 O18 134.63(9) 1_455 . ?
O6 Dy1 O18 75.56(11) 1_455 . ?
O15 Dy1 O18 126.18(9) . . ?
O20 Dy1 O12 89.35(11) 4_575 . ?
O8 Dy1 O12 137.16(9) 1_455 . ?
O6 Dy1 O12 146.26(10) 1_455 . ?
O15 Dy1 O12 75.52(8) . . ?
O18 Dy1 O12 85.07(9) . . ?
O20 Dy1 O17 128.13(10) 4_575 . ?
O8 Dy1 O17 136.86(10) 1_455 . ?
O6 Dy1 O17 71.19(11) 1_455 . ?
O15 Dy1 O17 72.63(9) . . ?
O18 Dy1 O17 53.85(9) . . ?
O12 Dy1 O17 75.07(9) . . ?
O20 Dy1 O4 79.39(9) 4_575 3_665 ?
O8 Dy1 O4 70.07(9) 1_455 3_665 ?
O6 Dy1 O4 140.12(10) 1_455 3_665 ?
O15 Dy1 O4 71.59(8) . 3_665 ?
O18 Dy1 O4 143.01(9) . 3_665 ?
O12 Dy1 O4 67.30(8) . 3_665 ?
O17 Dy1 O4 133.03(9) . 3_665 ?
O20 Dy1 C39 102.44(11) 4_575 . ?
O8 Dy1 C39 142.77(10) 1_455 . ?
O6 Dy1 C39 70.62(11) 1_455 . ?
O15 Dy1 C39 99.40(10) . . ?
O18 Dy1 C39 27.01(10) . . ?
O12 Dy1 C39 79.53(10) . . ?
O17 Dy1 C39 26.85(10) . . ?
O4 Dy1 C39 146.79(10) 3_665 . ?
O20 Dy1 Dy2 109.92(8) 4_575 . ?
O8 Dy1 Dy2 99.36(7) 1_455 . ?
O6 Dy1 Dy2 136.80(9) 1_455 . ?
O15 Dy1 Dy2 42.97(6) . . ?
O18 Dy1 Dy2 125.92(7) . . ?
O12 Dy1 Dy2 42.95(6) . . ?
O17 Dy1 Dy2 91.63(6) . . ?
O4 Dy1 Dy2 41.47(6) 3_665 . ?
C39 Dy1 Dy2 110.63(8) . . ?
O10 Dy2 O1 82.67(10) 2_755 . ?
O10 Dy2 O13 82.73(10) 2_755 2_645 ?
O1 Dy2 O13 85.99(11) . 2_645 ?
O10 Dy2 O3 148.00(9) 2_755 3_665 ?
O1 Dy2 O3 75.63(10) . 3_665 ?
O13 Dy2 O3 72.67(9) 2_645 3_665 ?
O10 Dy2 O16 71.75(9) 2_755 . ?
O1 Dy2 O16 149.27(10) . . ?
O13 Dy2 O16 74.36(11) 2_645 . ?
O3 Dy2 O16 118.81(9) 3_665 . ?
O10 Dy2 O4 152.05(9) 2_755 3_665 ?
O1 Dy2 O4 92.48(9) . 3_665 ?
O13 Dy2 O4 124.54(9) 2_645 3_665 ?
O3 Dy2 O4 53.58(8) 3_665 3_665 ?
O16 Dy2 O4 118.08(9) . 3_665 ?
O10 Dy2 O11 73.87(10) 2_755 . ?
O1 Dy2 O11 75.10(9) . . ?
O13 Dy2 O11 151.42(10) 2_645 . ?
O3 Dy2 O11 121.27(10) 3_665 . ?
O16 Dy2 O11 112.27(10) . . ?
O4 Dy2 O11 78.27(9) 3_665 . ?
O10 Dy2 O12 94.43(9) 2_755 . ?
O1 Dy2 O12 124.48(9) . . ?
O13 Dy2 O12 148.94(10) 2_645 . ?
O3 Dy2 O12 117.21(8) 3_665 . ?
O16 Dy2 O12 75.39(9) . . ?
O4 Dy2 O12 65.74(8) 3_665 . ?
O11 Dy2 O12 51.44(8) . . ?
O10 Dy2 O15 123.83(9) 2_755 . ?
O1 Dy2 O15 151.20(9) . . ?
O13 Dy2 O15 86.57(10) 2_645 . ?
O3 Dy2 O15 75.60(9) 3_665 . ?
O16 Dy2 O15 52.30(8) . . ?
O4 Dy2 O15 69.31(8) 3_665 . ?
O11 Dy2 O15 120.03(8) . . ?
O12 Dy2 O15 69.31(7) . . ?
O10 Dy2 C8 162.68(10) 2_755 3_665 ?
O1 Dy2 C8 80.29(10) . 3_665 ?
O13 Dy2 C8 99.05(10) 2_645 3_665 ?
O3 Dy2 C8 26.59(9) 3_665 3_665 ?
O16 Dy2 C8 125.42(9) . 3_665 ?
O4 Dy2 C8 27.33(9) 3_665 3_665 ?
O11 Dy2 C8 98.64(10) . 3_665 ?
O12 Dy2 C8 92.69(9) . 3_665 ?
O15 Dy2 C8 73.48(9) . 3_665 ?
O10 Dy2 C32 97.60(10) 2_755 . ?
O1 Dy2 C32 160.84(10) . . ?
O13 Dy2 C32 75.08(11) 2_645 . ?
O3 Dy2 C32 95.53(10) 3_665 . ?
O16 Dy2 C32 25.93(10) . . ?
O4 Dy2 C32 95.77(9) 3_665 . ?
O11 Dy2 C32 123.52(9) . . ?
O12 Dy2 C32 74.67(9) . . ?
O15 Dy2 C32 27.03(9) . . ?
C8 Dy2 C32 99.50(10) 3_665 . ?
O10 Dy2 C27 81.63(10) 2_755 . ?
O1 Dy2 C27 100.05(10) . . ?
O13 Dy2 C27 162.35(10) 2_645 . ?
O3 Dy2 C27 124.83(9) 3_665 . ?
O16 Dy2 C27 92.94(10) . . ?
O4 Dy2 C27 72.10(9) 3_665 . ?
O11 Dy2 C27 25.42(9) . . ?
O12 Dy2 C27 26.16(8) . . ?
O15 Dy2 C27 95.37(9) . . ?
C8 Dy2 C27 98.31(10) 3_665 . ?
C32 Dy2 C27 98.94(10) . . ?
O7 Dy3 O5 84.75(14) . . ?
O7 Dy3 O2 103.25(12) . . ?
O5 Dy3 O2 163.31(13) . . ?
O7 Dy3 O9 151.56(11) . 2_755 ?
O5 Dy3 O9 82.46(14) . 2_755 ?
O2 Dy3 O9 96.01(13) . 2_755 ?
O7 Dy3 O19 80.83(12) . 4_675 ?
O5 Dy3 O19 114.97(13) . 4_675 ?
O2 Dy3 O19 81.06(13) . 4_675 ?
O9 Dy3 O19 81.74(13) 2_755 4_675 ?
O7 Dy3 O14 80.42(12) . 2_645 ?
O5 Dy3 O14 86.50(15) . 2_645 ?
O2 Dy3 O14 80.54(15) . 2_645 ?
O9 Dy3 O14 123.80(13) 2_755 2_645 ?
O19 Dy3 O14 149.87(15) 4_675 2_645 ?
C7 O1 Dy2 136.2(3) . . ?
C7 O2 Dy3 141.5(3) . . ?
C8 O3 Dy2 94.8(2) . 3_665 ?
C8 O4 Dy2 90.1(2) . 3_665 ?
C8 O4 Dy1 128.8(2) . 3_665 ?
Dy2 O4 Dy1 95.88(9) 3_665 3_665 ?
C12 O5 Dy3 148.4(4) . . ?
C12 O6 Dy1 134.2(3) . 1_655 ?
C19 O7 Dy3 147.1(3) . . ?
C19 O8 Dy1 141.0(2) . 1_655 ?
C20 O9 Dy3 143.7(3) . 2_745 ?
C20 O10 Dy2 148.2(3) . 2_745 ?
C27 O11 Dy2 95.5(2) . . ?
C27 O12 Dy1 141.6(2) . . ?
C27 O12 Dy2 92.17(19) . . ?
Dy1 O12 Dy2 97.42(8) . . ?
C28 O13 Dy2 148.0(3) . 2_655 ?
C28 O14 Dy3 119.6(3) . 2_655 ?
C32 O15 Dy1 129.2(2) . . ?
C32 O15 Dy2 88.1(2) . . ?
Dy1 O15 Dy2 98.13(8) . . ?
C32 O16 Dy2 96.0(2) . . ?
C39 O17 Dy1 90.2(2) . . ?
C39 O18 Dy1 94.1(2) . . ?
C40 O19 Dy3 133.6(3) . 4_476 ?
C40 O20 Dy1 154.6(3) . 4_576 ?
C6 C1 C2 119.7(4) . . ?
C6 C1 C7 120.0(3) . . ?
C2 C1 C7 120.3(4) . . ?
C3 C2 C1 120.1(4) . . ?
C3 C2 H2A 119.9 . . ?
C1 C2 H2A 119.9 . . ?
C2 C3 C4 120.2(4) . . ?
C2 C3 H3A 119.9 . . ?
C4 C3 H3A 119.9 . . ?
C3 C4 C5 119.8(3) . . ?
C3 C4 C8 121.5(3) . . ?
C5 C4 C8 118.6(3) . . ?
C6 C5 C4 120.0(4) . . ?
C6 C5 H5A 120.0 . . ?
C4 C5 H5A 120.0 . . ?
C5 C6 C1 120.1(4) . . ?
C5 C6 H6A 119.9 . . ?
C1 C6 H6A 119.9 . . ?
O2 C7 O1 123.3(4) . . ?
O2 C7 C1 117.8(3) . . ?
O1 C7 C1 118.9(3) . . ?
O3 C8 O4 120.0(3) . . ?
O3 C8 C4 119.2(3) . . ?
O4 C8 C4 120.7(3) . . ?
O3 C8 Dy2 58.62(18) . 3_665 ?
O4 C8 Dy2 62.57(18) . 3_665 ?
C4 C8 Dy2 164.9(2) . 3_665 ?
C11 C9 C10 120.5(4) 3_766 . ?
C11 C9 H9 119.7 3_766 . ?
C10 C9 H9 119.7 . . ?
C11 C10 C9 119.7(4) . . ?
C11 C10 C12 120.0(4) . . ?
C9 C10 C12 120.3(4) . . ?
C10 C11 C9 119.7(4) . 3_766 ?
C10 C11 H11 120.1 . . ?
C9 C11 H11 120.1 3_766 . ?
O6 C12 O5 124.0(4) . . ?
O6 C12 C10 118.1(4) . . ?
O5 C12 C10 117.8(4) . . ?
C18 C13 C14 120.1(3) . . ?
C18 C13 C19 119.7(3) . . ?
C14 C13 C19 120.2(3) . . ?
C13 C14 C15 120.3(4) . . ?
C13 C14 H14A 119.9 . . ?
C15 C14 H14A 119.9 . . ?
C16 C15 C14 119.2(4) . . ?
C16 C15 H15A 120.4 . . ?
C14 C15 H15A 120.4 . . ?
C17 C16 C15 120.3(3) . . ?
C17 C16 C20 118.8(3) . . ?
C15 C16 C20 120.9(3) . . ?
C18 C17 C16 120.4(3) . . ?
C18 C17 H17A 119.8 . . ?
C16 C17 H17A 119.8 . . ?
C13 C18 C17 119.8(3) . . ?
C13 C18 H18A 120.1 . . ?
C17 C18 H18A 120.1 . . ?
O8 C19 O7 124.6(3) . . ?
O8 C19 C13 117.7(3) . . ?
O7 C19 C13 117.6(3) . . ?
O10 C20 O9 124.0(3) . . ?
O10 C20 C16 117.5(3) . . ?
O9 C20 C16 118.5(3) . . ?
C22 C21 C26 118.7(3) . . ?
C22 C21 C27 121.8(3) . . ?
C26 C21 C27 119.5(3) . . ?
C21 C22 C23 120.5(4) . . ?
C21 C22 H22A 119.7 . . ?
C23 C22 H22A 119.7 . . ?
C24 C23 C22 120.7(4) . . ?
C24 C23 H23A 119.7 . . ?
C22 C23 H23A 119.7 . . ?
C23 C24 C25 118.7(3) . . ?
C23 C24 C28 123.3(4) . . ?
C25 C24 C28 118.1(4) . . ?
C26 C25 C24 121.0(4) . . ?
C26 C25 H25A 119.5 . . ?
C24 C25 H25A 119.5 . . ?
C25 C26 C21 120.4(4) . . ?
C25 C26 H26A 119.8 . . ?
C21 C26 H26A 119.8 . . ?
O11 C27 O12 120.2(3) . . ?
O11 C27 C21 120.6(3) . . ?
O12 C27 C21 119.1(3) . . ?
O11 C27 Dy2 59.10(18) . . ?
O12 C27 Dy2 61.66(17) . . ?
C21 C27 Dy2 170.3(2) . . ?
O13 C28 O14 122.2(4) . . ?
O13 C28 C24 121.8(4) . . ?
O14 C28 C24 116.0(4) . . ?
C31 C29 C30 120.3(4) 3_666 . ?
C31 C29 H29 119.8 3_666 . ?
C30 C29 H29 119.8 . . ?
C29 C30 C31 119.2(3) . . ?
C29 C30 C32 121.5(3) . . ?
C31 C30 C32 119.3(3) . . ?
C29 C31 C30 120.5(4) 3_666 . ?
C29 C31 H31 119.8 3_666 . ?
C30 C31 H31 119.8 . . ?
O16 C32 O15 120.5(3) . . ?
O16 C32 C30 119.9(3) . . ?
O15 C32 C30 119.5(3) . . ?
O16 C32 Dy2 58.04(19) . . ?
O15 C32 Dy2 64.84(18) . . ?
C30 C32 Dy2 160.3(2) . . ?
C34 C33 C38 119.3(4) . . ?
C34 C33 C39 120.1(4) . . ?
C38 C33 C39 120.7(4) . . ?
C33 C34 C35 120.4(4) . . ?
C33 C34 H34A 119.8 . . ?
C35 C34 H34A 119.8 . . ?
C36 C35 C34 120.2(4) . . ?
C36 C35 H35A 119.9 . . ?
C34 C35 H35A 119.9 . . ?
C35 C36 C37 119.6(4) . . ?
C35 C36 C40 120.1(4) . . ?
C37 C36 C40 120.3(4) . . ?
C38 C37 C36 119.9(4) . . ?
C38 C37 H37A 120.0 . . ?
C36 C37 H37A 120.0 . . ?
C33 C38 C37 120.6(4) . . ?
C33 C38 H38A 119.7 . . ?
C37 C38 H38A 119.7 . . ?
O17 C39 O18 121.8(3) . . ?
O17 C39 C33 119.6(4) . . ?
O18 C39 C33 118.6(3) . . ?
O17 C39 Dy1 63.0(2) . . ?
O18 C39 Dy1 58.87(18) . . ?
C33 C39 Dy1 176.5(3) . . ?
O20 C40 O19 124.4(4) . . ?
O20 C40 C36 119.3(4) . . ?
O19 C40 C36 116.3(4) . . ?
N1 C41 C42 111.5(8) . . ?
N1 C41 H41A 124.3 . . ?
C42 C41 H41A 124.3 . . ?
N2 C42 C41 101.1(9) . . ?
N2 C42 H42A 129.5 . . ?
C41 C42 H42A 129.5 . . ?
N2 C43 N1 103.6(8) . . ?
N2 C43 H43 128.2 . . ?
N1 C43 H43 128.2 . . ?
C45 C44 N1 102.4(14) . . ?
C45 C44 H44A 111.3 . . ?
N1 C44 H44A 111.3 . . ?
C45 C44 H44B 111.3 . . ?
N1 C44 H44B 111.3 . . ?
H44A C44 H44B 109.2 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
N2 C46 H46A 109.5 . . ?
N2 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
N2 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C41 N1 C43 108.3(8) . . ?
C41 N1 C44 133.4(10) . . ?
C43 N1 C44 117.5(9) . . ?
C43 N2 C42 115.3(10) . . ?
C43 N2 C46 134.1(9) . . ?
C42 N2 C46 103.6(10) . . ?

_diffrn_measured_fraction_theta_max 0.935
_diffrn_reflns_theta_full        29.66
_diffrn_measured_fraction_theta_full 0.935
_refine_diff_density_max         1.196
_refine_diff_density_min         -0.708
_refine_diff_density_rms         0.132

#===END
_database_code_depnum_ccdc_archive 'CCDC 955234'