# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Ln-MOF1
_audit_block_doi                 10.5517/ccdc.csd.cc2022sz
_database_code_depnum_ccdc_archive 'CCDC 1849050'
_audit_update_record             
;
2018-06-13 deposited with the CCDC.
2018-08-10 downloaded from the CCDC.
;
_audit_creation_date             2018-06-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         '0.25(C240 H140 Dy12 N4 O96)'
_chemical_formula_sum            'C60 H35 Dy3 N O24'
_chemical_formula_weight         1641.39
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Dy C H O N'
_chemical_oxdiff_usercomment     k1
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           36
_space_group_name_H-M_alt        'C m c 21'
_space_group_name_Hall           'C 2c -2'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, z+1/2'
3 '-x, y, z'
4 'x, -y, z+1/2'
5 'x+1/2, y+1/2, z'
6 '-x+1/2, -y+1/2, z+1/2'
7 '-x+1/2, y+1/2, z'
8 'x+1/2, -y+1/2, z+1/2'

_cell_length_a                   27.7738(15)
_cell_length_b                   10.6809(5)
_cell_length_c                   19.1423(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     5678.5(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9978
_cell_measurement_temperature    120.00(10)
_cell_measurement_theta_max      28.7050
_cell_measurement_theta_min      3.5870
_exptl_absorpt_coefficient_mu    3.995
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.63428
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.29c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.920
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3168
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0565
_diffrn_reflns_av_unetI/netI     0.0540
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            18237
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         3.10
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      120.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.2116
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      1.00  80.00   1.00   16.00    --   18.55  57.00-180.00   79
  2  ω    -12.00  45.00   1.00   16.00    --   18.55  77.00 -90.00   57
  3  ω     22.00  60.00   1.00   16.00    --   18.55 -99.00  60.00   38
  4  ω    -44.00  35.00   1.00   16.00    --   18.55 -57.00 -60.00   79
  5  ω     14.00  41.00   1.00   16.00    --   18.55  57.00 -90.00   27
  6  ω    -26.00  91.00   1.00   16.00    --   18.55  19.00 120.00  117
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0160568000
_diffrn_orient_matrix_UB_12      -0.0441180000
_diffrn_orient_matrix_UB_13      0.0148742000
_diffrn_orient_matrix_UB_21      0.0012431000
_diffrn_orient_matrix_UB_22      0.0322186000
_diffrn_orient_matrix_UB_23      0.0324636000
_diffrn_orient_matrix_UB_31      -0.0198421000
_diffrn_orient_matrix_UB_32      0.0376851000
_diffrn_orient_matrix_UB_33      -0.0100233000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                4858
_reflns_number_total             5030
_reflns_odcompleteness_completeness 99.69
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'CrysAlisPro 1.171.39.29c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.29c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.29c (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         1.712
_refine_diff_density_min         -0.885
_refine_diff_density_rms         0.130
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.265(16)
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     428
_refine_ls_number_reflns         5030
_refine_ls_number_restraints     133
_refine_ls_R_factor_all          0.0354
_refine_ls_R_factor_gt           0.0333
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0300P)²+28.0720P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0709
_refine_ls_wR_factor_ref         0.0725
_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. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O3) \\sim Ueq, Uanis(C12) \\sim Ueq, Uanis(C11) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(O3) \\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C22) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(O3) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.002
Uanis(O4) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O3AA) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C25) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C3) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(O11) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O1) \\sim Ueq, Uanis(O1) \\sim Ueq, Uanis(O4) \\sim Ueq, Uanis(O4) \\sim
Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(N0AA) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C18) \\sim Ueq, Uanis(C18) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(C19) \\sim Ueq, Uanis(C19) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(C1AA) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
3. Others
 Fixed Sof: C0AA(0.5) C1AA(0.5) C2AA(0.5)
4.a Aromatic/amide H refined with riding coordinates:
 C29(H29), C14(H14), C24(H24), C13(H13), C16(H16), C6(H6), C3(H3), C2(H2),
 C20(H20), C28(H28), C5(H5), C27(H27), C10(H10A), C19(H19), C25(H25), C17(H17),
 C11(H11)
;
_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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_site_symmetry_order
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Dy1 Dy 0.0000 0.68168(4) 0.01709(2) 0.00681(11) Uani 1 d . . 2 S T P
Dy3 Dy 0.0000 0.77501(4) 0.19961(2) 0.00844(11) Uani 1 d . . 2 S T P
Dy2 Dy 0.0000 0.49377(4) 0.31941(2) 0.00709(11) Uani 1 d . . 2 S T P
O3AA O 0.0000 0.5843(6) 0.1312(4) 0.0154(17) Uani 1 d . . 2 S TU P
O10 O 0.0000 0.9926(7) 0.1814(5) 0.020(2) Uani 1 d . . 2 S T P
O11 O 0.0000 0.8296(8) 0.3157(5) 0.0269(19) Uani 1 d . . 2 S TU P
C29 C 0.0000 0.4662(9) 0.1450(6) 0.012(2) Uani 1 d . . 2 S T P
H29 H 0.0000 0.4124 0.1068 0.015 Uiso 1 calc . . 2 RS T P
O25 O 0.05074(19) 0.3303(5) 0.3351(4) 0.0268(15) Uani 1 d . . 1 . . .
O26 O 0.04938(18) 0.7919(5) 0.0945(3) 0.0133(12) Uani 1 d . . 1 . . .
O27 O 0.08461(18) 0.7989(5) 0.2310(3) 0.0145(12) Uani 1 d . . 1 . . .
O28 O 0.05181(19) 0.5190(5) 0.0048(3) 0.0243(14) Uani 1 d . . 1 . . .
C21 C 0.1098(3) 0.1772(6) 0.3511(4) 0.0122(16) Uani 1 d . . 1 . . .
O34 O 0.05195(18) 0.6163(5) 0.2545(3) 0.0122(12) Uani 1 d . . 1 . . .
C9 C 0.1115(3) 0.3665(7) -0.0149(4) 0.0159(18) Uani 1 d . . 1 . . .
C15 C 0.0687(3) 0.2521(7) 0.3766(4) 0.0139(17) Uani 1 d . . 1 . . .
C22 C 0.0901(3) 0.6862(7) 0.2475(4) 0.0120(16) Uani 1 d . . 1 . U .
C14 C 0.1198(3) 0.3462(7) 0.0561(5) 0.021(2) Uani 1 d . . 1 . . .
H14 H 0.0986 0.3787 0.0891 0.025 Uiso 1 calc . . 1 R . .
C23 C 0.1378(3) 0.6283(8) 0.2541(4) 0.0131(16) Uani 1 d . . 1 . . .
C8 C 0.0687(3) 0.4430(7) -0.0381(4) 0.0154(18) Uani 1 d . . 1 . . .
O43 O 0.0820(2) 0.9831(6) 0.1054(3) 0.0236(14) Uani 1 d . . 1 . . .
O44 O -0.0539(2) 0.7636(6) -0.0617(3) 0.0259(15) Uani 1 d . . 1 . . .
C24 C 0.1435(3) 0.5002(9) 0.2666(5) 0.0197(18) Uani 1 d . . 1 . . .
H24 H 0.1165 0.4488 0.2695 0.024 Uiso 1 calc . . 1 R . .
C1 C 0.0861(3) 0.8689(7) 0.0940(4) 0.0142(17) Uani 1 d . . 1 . . .
C13 C 0.1595(3) 0.2776(9) 0.0776(6) 0.036(2) Uani 1 d . . 1 . U .
H13 H 0.1647 0.2617 0.1248 0.043 Uiso 1 calc . . 1 R . .
C12 C 0.1914(3) 0.2330(8) 0.0277(6) 0.040(3) Uani 1 d . . 1 . U .
C16 C 0.1120(3) 0.1385(8) 0.2820(4) 0.0188(19) Uani 1 d . . 1 . . .
H16 H 0.0871 0.1589 0.2515 0.023 Uiso 1 calc . . 1 R . .
C6 C 0.1412(3) 0.6864(7) 0.0736(6) 0.027(2) Uani 1 d . . 1 . . .
H6 H 0.1148 0.6328 0.0761 0.032 Uiso 1 calc . . 1 R . .
C3 C 0.2199(3) 0.8436(8) 0.0649(5) 0.027(2) Uani 1 d . . 1 . U .
H3 H 0.2463 0.8967 0.0615 0.033 Uiso 1 calc . . 1 R . .
C2 C 0.1744(3) 0.8921(7) 0.0761(4) 0.0181(18) Uani 1 d . . 1 . . .
H2 H 0.1705 0.9782 0.0805 0.022 Uiso 1 calc . . 1 R . .
O O 0.0000 0.4164(6) 0.2034(4) 0.0110(15) Uani 1 d . . 2 S T P
O1 O 0.0538(2) 0.4268(6) -0.0990(3) 0.0320(16) Uani 1 d . . 1 . U .
O3 O 0.2735(2) 0.4709(6) 0.2785(4) 0.047(2) Uani 1 d . . 1 . U .
O4 O 0.2305(3) 0.1581(8) 0.0480(4) 0.059(2) Uani 1 d . . 1 . U .
C20 C 0.1471(3) 0.1466(8) 0.3949(5) 0.024(2) Uani 1 d . . 1 . . .
H20 H 0.1456 0.1718 0.4414 0.029 Uiso 1 calc . . 1 R . .
C28 C 0.1784(3) 0.7031(8) 0.2503(5) 0.0217(19) Uani 1 d . . 1 . . .
H28 H 0.1748 0.7883 0.2420 0.026 Uiso 1 calc . . 1 R . .
C5 C 0.1860(3) 0.6380(8) 0.0630(6) 0.039(3) Uani 1 d . . 1 . . .
H5 H 0.1901 0.5520 0.0583 0.047 Uiso 1 calc . . 1 R . .
C27 C 0.2245(3) 0.6548(8) 0.2584(5) 0.028(2) Uani 1 d . . 1 . . .
H27 H 0.2515 0.7059 0.2549 0.033 Uiso 1 calc . . 1 R . .
C10 C 0.1440(4) 0.3198(10) -0.0628(5) 0.038(3) Uani 1 d . . 1 . . .
H10A H 0.1392 0.3332 -0.1103 0.046 Uiso 1 calc . . 1 R . .
C7 C 0.1341(3) 0.8143(7) 0.0808(4) 0.0159(18) Uani 1 d . . 1 . . .
C19 C 0.1867(3) 0.0799(8) 0.3725(5) 0.028(2) Uani 1 d . . 1 . U .
H19 H 0.2115 0.0598 0.4032 0.034 Uiso 1 calc . . 1 R . .
C25 C 0.1886(3) 0.4495(9) 0.2746(5) 0.029(2) Uani 1 d . . 1 . U .
H25 H 0.1922 0.3639 0.2818 0.035 Uiso 1 calc . . 1 R . .
C4 C 0.2257(3) 0.7177(9) 0.0591(6) 0.042(3) Uani 1 d . . 1 . . .
C18 C 0.1885(3) 0.0431(8) 0.3023(4) 0.024(2) Uani 1 d . . 1 . U .
C26 C 0.2289(3) 0.5263(8) 0.2719(6) 0.035(3) Uani 1 d . . 1 . . .
C17 C 0.1511(4) 0.0696(9) 0.2577(5) 0.034(3) Uani 1 d . . 1 . . .
H17 H 0.1520 0.0417 0.2117 0.041 Uiso 1 calc . . 1 R . .
C11 C 0.1842(4) 0.2522(10) -0.0399(6) 0.045(3) Uani 1 d . . 1 . U .
H11 H 0.2060 0.2206 -0.0723 0.054 Uiso 1 calc . . 1 R . .
N0AA N 0.0000 0.8976(9) 0.4265(5) 0.020(2) Uani 1 d . . 2 S TU P
C0AA C -0.0227(6) 0.8655(15) 0.3649(9) 0.022(4) Uani 0.50 d . . 1 . . .
C1AA C -0.0328(8) 0.930(2) 0.4882(13) 0.050(6) Uani 0.50 d . . 1 . U .
C2AA C -0.0494(8) 0.900(2) 0.4367(11) 0.045(6) Uani 0.50 d . . 1 . . .
H10 H 0.024(3) 1.012(10) 0.165(6) 0.05(4) Uiso 1 d . . 1 . . .


_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 Dy1 0.0000(9) 3 ?
Dy1 Dy3 3.6334(7) 3 ?
Dy1 O3AA 2.419(7) . ?
Dy1 O26 2.337(5) 3 ?
Dy1 O26 2.337(5) . ?
Dy1 O28 2.268(5) 3 ?
Dy1 O28 2.268(5) . ?
Dy1 O44 2.299(6) . ?
Dy1 O44 2.299(6) 3 ?
Dy3 Dy3 0.0000(13) 3 ?
Dy3 O3AA 2.422(7) . ?
Dy3 O10 2.350(8) . ?
Dy3 O11 2.298(9) . ?
Dy3 O26 2.442(5) . ?
Dy3 O26 2.443(5) 3 ?
Dy3 O27 2.439(5) 3 ?
Dy3 O27 2.439(5) . ?
Dy3 O34 2.462(5) . ?
Dy3 O34 2.462(5) 3 ?
Dy2 O25 2.264(5) 3 ?
Dy2 O25 2.264(5) . ?
Dy2 O34 2.310(5) 3 ?
Dy2 O34 2.310(5) . ?
Dy2 O 2.369(8) . ?
Dy2 O1 2.322(6) 4_565 ?
Dy2 O1 2.322(6) 2_565 ?
O3AA Dy1 2.419(7) 3 ?
O3AA Dy3 2.422(7) 3 ?
O3AA C29 1.288(12) . ?
O10 Dy3 2.350(8) 3 ?
O11 Dy3 2.298(9) 3 ?
O11 C0AA 1.195(18) . ?
O11 C0AA 1.195(18) 3 ?
C29 O 1.239(13) . ?
O25 C15 1.256(10) . ?
O26 Dy1 2.337(5) 3 ?
O26 Dy3 2.442(5) 3 ?
O26 C1 1.311(9) . ?
O27 Dy3 2.439(5) 3 ?
O27 C22 1.254(9) . ?
O28 Dy1 2.268(5) 3 ?
O28 C8 1.246(10) . ?
C21 C15 1.476(10) . ?
C21 C16 1.387(10) . ?
C21 C20 1.374(11) . ?
O34 Dy3 2.462(5) 3 ?
O34 C22 1.303(9) . ?
C9 C14 1.394(11) . ?
C9 C8 1.510(11) . ?
C9 C10 1.380(12) . ?
C15 O44 1.262(10) 2_565 ?
C22 Dy3 2.828(7) 3 ?
C22 C23 1.467(10) . ?
C14 C13 1.388(12) . ?
C23 C24 1.398(13) . ?
C23 C28 1.386(11) . ?
C8 O1 1.250(10) . ?
O43 C1 1.244(10) . ?
O44 Dy1 2.299(6) 3 ?
O44 C15 1.262(10) 2_564 ?
C24 C25 1.375(12) . ?
C1 C7 1.477(12) . ?
C13 C12 1.387(15) . ?
C12 O4 1.404(11) . ?
C12 C11 1.326(15) . ?
C16 C17 1.393(13) . ?
C6 C5 1.363(12) . ?
C6 C7 1.386(11) . ?
C3 C2 1.382(12) . ?
C3 C4 1.360(13) . ?
C2 C7 1.396(11) . ?
O1 Dy2 2.322(6) 2_564 ?
O3 C18 1.385(11) 7 ?
O3 C26 1.378(10) . ?
O4 C4 1.390(12) 7_545 ?
C20 C19 1.378(12) . ?
C28 C27 1.388(12) . ?
C5 C4 1.394(13) . ?
C27 C26 1.402(12) . ?
C10 C11 1.400(14) . ?
C19 C18 1.401(12) . ?
C25 C26 1.388(13) . ?
C4 O4 1.390(12) 7 ?
C18 O3 1.385(11) 7_545 ?
C18 C17 1.373(14) . ?
N0AA C0AA 1.382(19) 3 ?
N0AA C0AA 1.382(19) . ?
N0AA C1AA 1.53(3) 3 ?
N0AA C1AA 1.53(3) . ?
N0AA C2AA 1.39(2) 3 ?
N0AA C2AA 1.39(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Dy1 Dy1 Dy3 0(10) 3 3 ?
Dy1 Dy1 O3AA 0(10) 3 . ?
Dy1 Dy1 O26 0(10) 3 3 ?
Dy1 Dy1 O26 0(10) 3 . ?
Dy1 Dy1 O28 0(10) 3 3 ?
Dy1 Dy1 O28 0(10) 3 . ?
Dy1 Dy1 O44 0(10) 3 . ?
Dy1 Dy1 O44 0(10) 3 3 ?
O3AA Dy1 Dy3 41.39(17) . 3 ?
O26 Dy1 Dy3 41.61(12) 3 3 ?
O26 Dy1 Dy3 41.61(12) . 3 ?
O26 Dy1 O3AA 69.17(18) 3 . ?
O26 Dy1 O3AA 69.17(18) . . ?
O26 Dy1 O26 71.9(3) . 3 ?
O28 Dy1 Dy3 108.07(17) 3 3 ?
O28 Dy1 Dy3 108.07(17) . 3 ?
O28 Dy1 O3AA 76.4(2) 3 . ?
O28 Dy1 O3AA 76.4(2) . . ?
O28 Dy1 O26 94.6(2) 3 3 ?
O28 Dy1 O26 145.5(2) . 3 ?
O28 Dy1 O26 145.5(2) 3 . ?
O28 Dy1 O26 94.6(2) . . ?
O28 Dy1 O28 78.8(3) 3 . ?
O28 Dy1 O44 129.6(2) 3 3 ?
O28 Dy1 O44 129.6(2) . . ?
O28 Dy1 O44 79.0(2) . 3 ?
O28 Dy1 O44 79.0(2) 3 . ?
O44 Dy1 Dy3 121.76(17) 3 3 ?
O44 Dy1 Dy3 121.76(17) . 3 ?
O44 Dy1 O3AA 139.10(16) 3 . ?
O44 Dy1 O3AA 139.10(16) . . ?
O44 Dy1 O26 127.34(19) . . ?
O44 Dy1 O26 80.9(2) 3 . ?
O44 Dy1 O26 127.34(19) 3 3 ?
O44 Dy1 O26 80.9(2) . 3 ?
O44 Dy1 O44 81.4(3) 3 . ?
Dy3 Dy3 O3AA 0(10) 3 . ?
Dy3 Dy3 O10 0(10) 3 . ?
Dy3 Dy3 O11 0(10) 3 . ?
Dy3 Dy3 O26 0(10) 3 . ?
Dy3 Dy3 O26 0(10) 3 3 ?
Dy3 Dy3 O27 0(10) 3 . ?
Dy3 Dy3 O27 0(10) 3 3 ?
Dy3 Dy3 O34 0(10) 3 . ?
Dy3 Dy3 O34 0(10) 3 3 ?
O3AA Dy3 O26 67.44(18) . . ?
O3AA Dy3 O26 67.44(18) . 3 ?
O3AA Dy3 O27 102.79(13) . 3 ?
O3AA Dy3 O27 102.79(13) . . ?
O3AA Dy3 O34 69.62(18) . . ?
O3AA Dy3 O34 69.62(18) . 3 ?
O10 Dy3 O3AA 138.7(3) . . ?
O10 Dy3 O26 78.7(2) . 3 ?
O10 Dy3 O26 78.7(2) . . ?
O10 Dy3 O27 86.15(13) . . ?
O10 Dy3 O27 86.15(13) . 3 ?
O10 Dy3 O34 138.10(16) . . ?
O10 Dy3 O34 138.10(16) . 3 ?
O11 Dy3 O3AA 137.4(3) . . ?
O11 Dy3 O10 83.8(3) . . ?
O11 Dy3 O26 141.12(15) . . ?
O11 Dy3 O26 141.12(15) . 3 ?
O11 Dy3 O27 74.64(13) . . ?
O11 Dy3 O27 74.64(13) . 3 ?
O11 Dy3 O34 76.2(2) . 3 ?
O11 Dy3 O34 76.2(2) . . ?
O26 Dy3 O26 68.3(2) 3 . ?
O26 Dy3 O34 94.23(17) 3 3 ?
O26 Dy3 O34 94.23(17) . . ?
O26 Dy3 O34 137.04(18) 3 . ?
O26 Dy3 O34 137.04(18) . 3 ?
O27 Dy3 O26 137.42(17) 3 . ?
O27 Dy3 O26 69.78(17) . . ?
O27 Dy3 O26 69.78(17) 3 3 ?
O27 Dy3 O26 137.42(17) . 3 ?
O27 Dy3 O27 148.9(3) . 3 ?
O27 Dy3 O34 122.11(17) 3 . ?
O27 Dy3 O34 53.29(16) 3 3 ?
O27 Dy3 O34 53.29(16) . . ?
O27 Dy3 O34 122.11(17) . 3 ?
O34 Dy3 O34 71.8(2) 3 . ?
O25 Dy2 O25 77.0(3) 3 . ?
O25 Dy2 O34 96.9(2) . . ?
O25 Dy2 O34 96.9(2) 3 3 ?
O25 Dy2 O34 153.8(2) 3 . ?
O25 Dy2 O34 153.8(2) . 3 ?
O25 Dy2 O 81.7(2) . . ?
O25 Dy2 O 81.7(2) 3 . ?
O25 Dy2 O1 126.4(2) 3 4_565 ?
O25 Dy2 O1 78.0(2) . 4_565 ?
O25 Dy2 O1 126.4(2) . 2_565 ?
O25 Dy2 O1 78.0(2) 3 2_565 ?
O34 Dy2 O34 77.3(3) 3 . ?
O34 Dy2 O 72.16(18) . . ?
O34 Dy2 O 72.16(18) 3 . ?
O34 Dy2 O1 75.7(2) . 4_565 ?
O34 Dy2 O1 123.8(2) . 2_565 ?
O34 Dy2 O1 123.8(2) 3 4_565 ?
O34 Dy2 O1 75.7(2) 3 2_565 ?
O1 Dy2 O 139.24(16) 4_565 . ?
O1 Dy2 O 139.24(16) 2_565 . ?
O1 Dy2 O1 80.2(3) 4_565 2_565 ?
Dy1 O3AA Dy1 0.00(2) 3 . ?
Dy1 O3AA Dy3 97.3(2) . 3 ?
Dy1 O3AA Dy3 97.3(2) 3 . ?
Dy1 O3AA Dy3 97.3(2) 3 3 ?
Dy1 O3AA Dy3 97.3(2) . . ?
Dy3 O3AA Dy3 0.000(19) 3 . ?
C29 O3AA Dy1 127.3(7) . . ?
C29 O3AA Dy1 127.3(7) . 3 ?
C29 O3AA Dy3 135.4(7) . . ?
C29 O3AA Dy3 135.4(7) . 3 ?
Dy3 O10 Dy3 0.00(2) 3 . ?
Dy3 O11 Dy3 0.00(2) . 3 ?
C0AA O11 Dy3 147.3(9) . . ?
C0AA O11 Dy3 147.3(9) 3 . ?
C0AA O11 Dy3 147.3(9) 3 3 ?
C0AA O11 Dy3 147.3(9) . 3 ?
C0AA O11 C0AA 63.8(17) 3 . ?
O C29 O3AA 127.2(10) . . ?
C15 O25 Dy2 147.5(6) . . ?
Dy1 O26 Dy1 0.000(16) 3 . ?
Dy1 O26 Dy3 98.95(18) 3 . ?
Dy1 O26 Dy3 98.95(18) . . ?
Dy1 O26 Dy3 98.95(18) 3 3 ?
Dy1 O26 Dy3 98.95(18) . 3 ?
Dy3 O26 Dy3 0.00(2) 3 . ?
C1 O26 Dy1 140.2(5) . 3 ?
C1 O26 Dy1 140.2(5) . . ?
C1 O26 Dy3 119.3(5) . . ?
C1 O26 Dy3 119.3(5) . 3 ?
Dy3 O27 Dy3 0.00(2) 3 . ?
C22 O27 Dy3 94.5(4) . 3 ?
C22 O27 Dy3 94.5(4) . . ?
Dy1 O28 Dy1 0.00(2) 3 . ?
C8 O28 Dy1 143.8(6) . 3 ?
C8 O28 Dy1 143.8(6) . . ?
C16 C21 C15 120.7(7) . . ?
C20 C21 C15 120.7(7) . . ?
C20 C21 C16 118.6(7) . . ?
Dy3 O34 Dy3 0.00(2) 3 . ?
Dy2 O34 Dy3 104.69(19) . . ?
Dy2 O34 Dy3 104.69(19) . 3 ?
C22 O34 Dy3 92.2(4) . 3 ?
C22 O34 Dy3 92.2(4) . . ?
C22 O34 Dy2 152.6(5) . . ?
C14 C9 C8 120.0(8) . . ?
C10 C9 C14 118.9(8) . . ?
C10 C9 C8 121.0(8) . . ?
O25 C15 C21 117.2(7) . . ?
O25 C15 O44 123.5(7) . 2_565 ?
O44 C15 C21 119.3(7) 2_565 . ?
O27 C22 Dy3 59.3(4) . 3 ?
O27 C22 O34 118.6(7) . . ?
O27 C22 C23 122.4(7) . . ?
O34 C22 Dy3 60.4(4) . 3 ?
O34 C22 C23 118.9(7) . . ?
C23 C22 Dy3 165.4(5) . 3 ?
C13 C14 C9 120.1(9) . . ?
C24 C23 C22 122.0(7) . . ?
C28 C23 C22 119.2(8) . . ?
C28 C23 C24 118.7(7) . . ?
O28 C8 C9 117.1(7) . . ?
O28 C8 O1 125.5(8) . . ?
O1 C8 C9 117.4(8) . . ?
Dy1 O44 Dy1 0.00(3) . 3 ?
C15 O44 Dy1 140.9(6) 2_564 . ?
C15 O44 Dy1 140.9(6) 2_564 3 ?
C25 C24 C23 120.5(8) . . ?
O26 C1 C7 117.2(7) . . ?
O43 C1 O26 122.7(8) . . ?
O43 C1 C7 120.1(7) . . ?
C12 C13 C14 119.0(9) . . ?
C13 C12 O4 119.9(10) . . ?
C11 C12 C13 121.6(9) . . ?
C11 C12 O4 118.4(10) . . ?
C21 C16 C17 120.6(8) . . ?
C5 C6 C7 121.1(8) . . ?
C4 C3 C2 119.4(8) . . ?
C3 C2 C7 121.3(7) . . ?
C29 O Dy2 134.2(7) . . ?
C8 O1 Dy2 142.2(6) . 2_564 ?
C26 O3 C18 118.4(7) . 7 ?
C4 O4 C12 117.3(8) 7_545 . ?
C21 C20 C19 122.3(8) . . ?
C23 C28 C27 122.1(8) . . ?
C6 C5 C4 119.9(9) . . ?
C28 C27 C26 117.7(8) . . ?
C9 C10 C11 120.1(9) . . ?
C6 C7 C1 122.2(7) . . ?
C6 C7 C2 117.9(8) . . ?
C2 C7 C1 119.9(7) . . ?
C20 C19 C18 118.2(9) . . ?
C24 C25 C26 119.9(9) . . ?
C3 C4 O4 124.7(8) . 7 ?
C3 C4 C5 120.4(8) . . ?
O4 C4 C5 114.9(9) 7 . ?
O3 C18 C19 119.9(8) 7_545 . ?
C17 C18 O3 119.1(8) . 7_545 ?
C17 C18 C19 120.8(8) . . ?
O3 C26 C27 121.0(8) . . ?
O3 C26 C25 117.9(8) . . ?
C25 C26 C27 121.0(8) . . ?
C18 C17 C16 119.5(8) . . ?
C12 C11 C10 120.3(10) . . ?
C0AA N0AA C0AA 54.4(14) . 3 ?
C0AA N0AA C1AA 116.3(11) . . ?
C0AA N0AA C1AA 116.3(11) 3 3 ?
C0AA N0AA C1AA 170.6(13) . 3 ?
C0AA N0AA C1AA 170.6(13) 3 . ?
C0AA N0AA C2AA 125.1(13) 3 . ?
C0AA N0AA C2AA 70.8(11) 3 3 ?
C0AA N0AA C2AA 70.8(11) . . ?
C0AA N0AA C2AA 125.1(13) . 3 ?
C1AA N0AA C1AA 73.1(19) 3 . ?
C2AA N0AA C1AA 45.5(11) . . ?
C2AA N0AA C1AA 118.6(15) . 3 ?
C2AA N0AA C1AA 45.5(11) 3 3 ?
C2AA N0AA C1AA 118.6(15) 3 . ?
C2AA N0AA C2AA 163.8(19) 3 . ?
O11 C0AA N0AA 120.7(13) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.797
_oxdiff_exptl_absorpt_empirical_full_min 0.456
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Ln-MOF2
_audit_block_doi                 10.5517/ccdc.csd.cc2022t0
_database_code_depnum_ccdc_archive 'CCDC 1849051'
_audit_update_record             
;
2018-06-13 deposited with the CCDC.
2018-08-10 downloaded from the CCDC.
;
_audit_creation_date             2018-06-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C28 H21 Dy O12, 3(C3 H7 N O)'
_chemical_formula_sum            'C37 H42 Dy N3 O15'
_chemical_formula_weight         931.24
_chemical_melting_point          ?
_chemical_oxdiff_formula         C1H1O1N1DY1
_chemical_oxdiff_usercomment     5-27-3
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   9.4019(5)
_cell_length_b                   13.8627(6)
_cell_length_c                   16.5461(8)
_cell_angle_alpha                85.355(4)
_cell_angle_beta                 76.826(4)
_cell_angle_gamma                72.112(4)
_cell_volume                     1998.15(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7942
_cell_measurement_temperature    130.25(10)
_cell_measurement_theta_max      28.8940
_cell_measurement_theta_min      3.1440
_exptl_absorpt_coefficient_mu    1.942
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.45641
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.548
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             942
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0546
_diffrn_reflns_av_unetI/netI     0.0725
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            14804
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.88
_diffrn_ambient_temperature      130.25(10)
_diffrn_detector_area_resol_mean 16.2116
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   35.00   60.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       18.1935  -99.0000  120.0000 25

#__ type_ start__ end____ width___ exp.time_
  2 omega    5.00   43.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       18.1935   57.0000   30.0000 38

#__ type_ start__ end____ width___ exp.time_
  3 omega   -4.00   84.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       18.1935   77.0000   60.0000 88

#__ type_ start__ end____ width___ exp.time_
  4 omega  -19.00    6.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       18.1935  -99.0000 -120.0000 25

#__ type_ start__ end____ width___ exp.time_
  5 omega   -1.00   58.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       18.1935   19.0000  -90.0000 59

#__ type_ start__ end____ width___ exp.time_
  6 omega  -49.00   43.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       18.1935  -77.0000  150.0000 92

#__ type_ start__ end____ width___ exp.time_
  7 omega  -12.00   83.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       18.1935   77.0000  -90.0000 95
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0315444000
_diffrn_orient_matrix_UB_12      -0.0433814000
_diffrn_orient_matrix_UB_13      -0.0255726000
_diffrn_orient_matrix_UB_21      0.0110454000
_diffrn_orient_matrix_UB_22      0.0315436000
_diffrn_orient_matrix_UB_23      -0.0353623000
_diffrn_orient_matrix_UB_31      0.0739539000
_diffrn_orient_matrix_UB_32      -0.0037598000
_diffrn_orient_matrix_UB_33      0.0058467000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                6352
_reflns_number_total             7039
_reflns_odcompleteness_completeness 99.85
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         1.049
_refine_diff_density_min         -1.991
_refine_diff_density_rms         0.138
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     525
_refine_ls_number_reflns         7039
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0417
_refine_ls_R_factor_gt           0.0366
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0320P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0820
_refine_ls_wR_factor_ref         0.0866
_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. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C56) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O8) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C13) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3.a Rotating group:
 O22(H22A)
3.b Aromatic/amide H refined with riding coordinates:
 C27(H27), C28(H28), C34(H34), C31(H31), C35(H35), C32(H32), C24(H24),
 C53(H53), C6(H6), C25(H25), C3(H3), C7(H7), C11(H11), C10(H10), C48(H48),
 C4(H4), C13(H13), C14(H14), C43(H43)
3.c Idealised Me refined as rotating group:
 C55(H55A,H55B,H55C), C50(H50A,H50B,H50C), C45(H45A,H45B,H45C), C51(H51A,H51B,
 H51C), C46(H46A,H46B,H46C), C56(H56A,H56B,H56C)
3.d Idealised tetrahedral OH refined as rotating group:
 O16(H16)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Dy1 Dy 0.723852(19) 0.535714(14) 0.000239(11) 0.00836(8) Uani 1 d . . . .
O20 O 0.8552(3) 0.5653(2) 0.09172(17) 0.0157(7) Uani 1 d . . . .
O21 O 0.8019(4) 0.6878(3) -0.0433(2) 0.0166(7) Uani 1 d . . . .
O22 O 0.5874(3) 0.6298(2) -0.09884(19) 0.0156(7) Uani 1 d . . . .
H22A H 0.6500 0.6323 -0.1455 0.023 Uiso 1 d . . GR .
O41 O 0.6288(3) 0.4188(2) -0.05033(16) 0.0136(6) Uani 1 d . . . .
O38 O 1.3407(3) -0.4229(2) -0.11777(16) 0.0113(6) Uani 1 d . . . .
O8 O 0.7022(4) 0.7228(3) 0.45881(19) 0.0356(10) Uani 1 d . . . U
O29 O 1.1078(3) 0.0332(2) -0.24806(17) 0.0193(7) Uani 1 d . . . .
O40 O 0.4745(3) 0.3466(2) -0.08879(17) 0.0152(7) Uani 1 d . . . .
O19 O 1.0880(3) 0.5067(2) 0.11899(17) 0.0163(7) Uani 1 d . . . .
O37 O 1.1099(3) -0.3713(2) -0.03801(16) 0.0118(6) Uani 1 d . . . .
O17 O 0.6638(4) 1.1317(3) 0.62291(19) 0.0323(9) Uani 1 d . . . .
O16 O 0.7632(5) 1.1572(3) 0.4902(2) 0.0512(12) Uani 1 d . . . .
H16 H 0.7739 1.2068 0.5090 0.077 Uiso 1 calc . . GR .
O42 O 0.7097(4) 0.8786(3) 0.0281(2) 0.0357(10) Uani 1 d . . . .
O47 O 0.2726(5) 0.6570(3) 0.4698(2) 0.0471(12) Uani 1 d . . . .
O52 O 0.2757(4) 0.3216(3) 0.2542(2) 0.0445(10) Uani 1 d . . . .
N54 N 0.0360(5) 0.3310(4) 0.3241(2) 0.0438(14) Uani 1 d . . . .
C27 C 0.8839(4) 0.2516(3) -0.1166(3) 0.0148(10) Uani 1 d . . . .
H27 H 0.8987 0.2930 -0.0797 0.018 Uiso 1 calc . . R .
C39 C 0.6068(4) 0.3514(3) -0.0879(2) 0.0102(9) Uani 1 d . . . .
C28 C 1.0060(5) 0.1720(3) -0.1540(3) 0.0170(10) Uani 1 d . . . .
H28 H 1.1016 0.1581 -0.1411 0.020 Uiso 1 calc . . R .
N44 N 0.5544(4) 1.0214(3) 0.0953(3) 0.0278(10) Uani 1 d . . . .
C36 C 1.2146(4) -0.3533(3) -0.0954(2) 0.0116(9) Uani 1 d . . . .
C34 C 1.2897(5) -0.2302(3) -0.2049(2) 0.0138(9) Uani 1 d . . . .
H34 H 1.3784 -0.2809 -0.2271 0.017 Uiso 1 calc . . R .
C33 C 1.1880(4) -0.2517(3) -0.1347(2) 0.0099(9) Uani 1 d . . . .
N49 N 0.3819(5) 0.5370(3) 0.3707(2) 0.0278(10) Uani 1 d . . . .
C26 C 0.7404(4) 0.2701(3) -0.1336(2) 0.0108(9) Uani 1 d . . . .
C31 C 1.0280(4) -0.0789(3) -0.1371(3) 0.0152(10) Uani 1 d . . . .
H31 H 0.9403 -0.0279 -0.1142 0.018 Uiso 1 calc . . R .
C35 C 1.2607(4) -0.1362(3) -0.2411(2) 0.0146(10) Uani 1 d . . . .
H35 H 1.3287 -0.1235 -0.2881 0.018 Uiso 1 calc . . R .
C18 C 0.9475(4) 0.5534(3) 0.1379(2) 0.0107(9) Uani 1 d . . . .
C30 C 1.1291(5) -0.0588(3) -0.2078(3) 0.0142(9) Uani 1 d . . . .
C55 C 0.0558(7) 0.3488(6) 0.4052(3) 0.060(2) Uani 1 d . . . .
H55A H 0.0425 0.2934 0.4418 0.090 Uiso 1 calc . . GR .
H55B H -0.0187 0.4107 0.4270 0.090 Uiso 1 calc . . GR .
H55C H 0.1567 0.3542 0.4006 0.090 Uiso 1 calc . . GR .
C23 C 0.9825(5) 0.1142(3) -0.2105(2) 0.0149(10) Uani 1 d . . . .
C2 C 0.7663(6) 0.6858(4) 0.3775(3) 0.0244(12) Uani 1 d . . . .
C15 C 0.7106(6) 1.1025(4) 0.5512(3) 0.0297(13) Uani 1 d . . . .
C32 C 1.0580(5) -0.1734(3) -0.1016(2) 0.0137(9) Uani 1 d . . . .
H32 H 0.9904 -0.1859 -0.0543 0.016 Uiso 1 calc . . R .
C24 C 0.8432(5) 0.1319(3) -0.2313(3) 0.0167(10) Uani 1 d . . . .
H24 H 0.8310 0.0926 -0.2707 0.020 Uiso 1 calc . . R .
C53 C 0.1454(6) 0.3224(4) 0.2566(3) 0.0388(15) Uani 1 d . . . .
H53 H 0.1203 0.3165 0.2064 0.047 Uiso 1 calc . . R .
C5 C 0.8854(4) 0.5999(3) 0.2236(3) 0.0134(9) Uani 1 d . . . .
C50 C 0.4437(7) 0.5142(4) 0.2830(3) 0.0415(15) Uani 1 d . . . .
H50A H 0.5502 0.4766 0.2750 0.062 Uiso 1 calc . . GR .
H50B H 0.4323 0.5762 0.2514 0.062 Uiso 1 calc . . GR .
H50C H 0.3894 0.4745 0.2649 0.062 Uiso 1 calc . . GR .
C6 C 0.9784(5) 0.5874(4) 0.2797(3) 0.0212(11) Uani 1 d . . . .
H6 H 1.0813 0.5506 0.2650 0.025 Uiso 1 calc . . R .
C25 C 0.7208(5) 0.2103(3) -0.1917(2) 0.0146(10) Uani 1 d . . . .
H25 H 0.6251 0.2230 -0.2042 0.018 Uiso 1 calc . . R .
C3 C 0.6733(5) 0.7006(4) 0.3225(3) 0.0287(12) Uani 1 d . . . .
H3 H 0.5711 0.7388 0.3372 0.034 Uiso 1 calc . . R .
C7 C 0.9187(5) 0.6298(4) 0.3580(3) 0.0270(12) Uani 1 d . . . .
H7 H 0.9801 0.6206 0.3965 0.032 Uiso 1 calc . . R .
C12 C 0.7114(5) 1.0024(4) 0.5250(3) 0.0249(11) Uani 1 d . . . .
C45 C 0.6289(6) 1.0886(4) 0.0423(3) 0.0350(14) Uani 1 d . . . .
H45A H 0.6971 1.1058 0.0700 0.052 Uiso 1 calc . . GR .
H45B H 0.5530 1.1493 0.0308 0.052 Uiso 1 calc . . GR .
H45C H 0.6860 1.0552 -0.0088 0.052 Uiso 1 calc . . GR .
C51 C 0.3967(8) 0.4528(5) 0.4280(3) 0.058(2) Uani 1 d . . . .
H51A H 0.3542 0.4046 0.4115 0.087 Uiso 1 calc . . GR .
H51B H 0.3428 0.4765 0.4827 0.087 Uiso 1 calc . . GR .
H51C H 0.5029 0.4210 0.4280 0.087 Uiso 1 calc . . GR .
C9 C 0.7074(6) 0.8171(4) 0.4763(3) 0.0270(12) Uani 1 d . . . .
C11 C 0.7873(6) 0.9655(4) 0.4457(3) 0.0320(13) Uani 1 d . . . .
H11 H 0.8395 1.0035 0.4085 0.038 Uiso 1 calc . . R .
C10 C 0.7850(6) 0.8723(4) 0.4224(3) 0.0338(14) Uani 1 d . . . .
H10 H 0.8365 0.8475 0.3698 0.041 Uiso 1 calc . . R .
C48 C 0.3216(6) 0.6315(4) 0.3970(3) 0.0297(12) Uani 1 d . . . .
H48 H 0.3157 0.6829 0.3569 0.036 Uiso 1 calc . . R .
C4 C 0.7327(5) 0.6581(4) 0.2445(3) 0.0240(11) Uani 1 d . . . .
H4 H 0.6707 0.6683 0.2062 0.029 Uiso 1 calc . . R .
C13 C 0.6329(6) 0.9451(4) 0.5786(3) 0.0344(14) Uani 1 d . . . U
H13 H 0.5820 0.9689 0.6315 0.041 Uiso 1 calc . . R .
C14 C 0.6288(6) 0.8534(4) 0.5548(3) 0.0380(15) Uani 1 d . . . .
H14 H 0.5740 0.8161 0.5910 0.046 Uiso 1 calc . . R .
C43 C 0.6012(5) 0.9233(4) 0.0826(3) 0.0300(12) Uani 1 d . . . .
H43 H 0.5480 0.8842 0.1178 0.036 Uiso 1 calc . . R .
C46 C 0.4223(6) 1.0685(5) 0.1598(3) 0.0504(18) Uani 1 d . . . .
H46A H 0.4489 1.1121 0.1922 0.076 Uiso 1 calc . . GR .
H46B H 0.3912 1.0168 0.1951 0.076 Uiso 1 calc . . GR .
H46C H 0.3397 1.1076 0.1347 0.076 Uiso 1 calc . . GR .
C56 C -0.1252(8) 0.3487(8) 0.3208(4) 0.092(3) Uani 1 d . . . U
H56A H -0.1547 0.2889 0.3398 0.138 Uiso 1 calc . . GR .
H56B H -0.1374 0.3641 0.2647 0.138 Uiso 1 calc . . GR .
H56C H -0.1885 0.4045 0.3558 0.138 Uiso 1 calc . . GR .
H21A H 0.765(6) 0.743(5) -0.020(3) 0.042(17) Uiso 1 d . . . .
H21B H 0.886(6) 0.672(4) -0.037(3) 0.022(15) Uiso 1 d . . . .
H22B H 0.521(5) 0.621(3) -0.106(3) 0.008(13) Uiso 1 d . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O20 2.291(3) . ?
Dy1 O21 2.443(3) . ?
Dy1 O22 2.370(3) . ?
Dy1 O41 2.361(3) . ?
Dy1 O38 2.480(3) 2_755 ?
Dy1 O40 2.358(2) 2_665 ?
Dy1 O19 2.307(2) 2_765 ?
Dy1 O37 2.461(3) 2_755 ?
Dy1 C36 2.842(5) 2_755 ?
O20 C18 1.248(5) . ?
O21 H21A 0.83(6) . ?
O21 H21B 0.78(5) . ?
O22 H22A 0.8624 . ?
O22 H22B 0.71(4) . ?
O41 C39 1.255(4) . ?
O38 Dy1 2.480(3) 2_755 ?
O38 C36 1.276(5) . ?
O8 C2 1.410(5) . ?
O8 C9 1.379(6) . ?
O29 C30 1.370(5) . ?
O29 C23 1.414(5) . ?
O40 Dy1 2.358(2) 2_665 ?
O40 C39 1.269(5) . ?
O19 Dy1 2.307(2) 2_765 ?
O19 C18 1.258(5) . ?
O37 Dy1 2.461(3) 2_755 ?
O37 C36 1.273(4) . ?
O17 C15 1.222(5) . ?
O16 H16 0.8200 . ?
O16 C15 1.311(6) . ?
O42 C43 1.233(5) . ?
O47 C48 1.228(5) . ?
O52 C53 1.213(6) . ?
N54 C55 1.447(6) . ?
N54 C53 1.319(6) . ?
N54 C56 1.472(7) . ?
C27 H27 0.9300 . ?
C27 C28 1.389(6) . ?
C27 C26 1.383(5) . ?
C39 C26 1.502(5) . ?
C28 H28 0.9300 . ?
C28 C23 1.375(6) . ?
N44 C45 1.455(6) . ?
N44 C43 1.312(6) . ?
N44 C46 1.456(6) . ?
C36 Dy1 2.842(5) 2_755 ?
C36 C33 1.477(6) . ?
C34 H34 0.9300 . ?
C34 C33 1.401(5) . ?
C34 C35 1.365(6) . ?
C33 C32 1.396(5) . ?
N49 C50 1.455(5) . ?
N49 C51 1.437(7) . ?
N49 C48 1.323(6) . ?
C26 C25 1.397(5) . ?
C31 H31 0.9300 . ?
C31 C30 1.397(6) . ?
C31 C32 1.366(6) . ?
C35 H35 0.9300 . ?
C35 C30 1.398(6) . ?
C18 C5 1.518(5) . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C23 C24 1.374(6) . ?
C2 C3 1.363(7) . ?
C2 C7 1.381(7) . ?
C15 C12 1.485(6) . ?
C32 H32 0.9300 . ?
C24 H24 0.9300 . ?
C24 C25 1.392(6) . ?
C53 H53 0.9300 . ?
C5 C6 1.382(6) . ?
C5 C4 1.393(6) . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C6 H6 0.9300 . ?
C6 C7 1.388(6) . ?
C25 H25 0.9300 . ?
C3 H3 0.9300 . ?
C3 C4 1.385(6) . ?
C7 H7 0.9300 . ?
C12 C11 1.396(6) . ?
C12 C13 1.381(7) . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C9 C10 1.360(7) . ?
C9 C14 1.388(6) . ?
C11 H11 0.9300 . ?
C11 C10 1.386(7) . ?
C10 H10 0.9300 . ?
C48 H48 0.9300 . ?
C4 H4 0.9300 . ?
C13 H13 0.9300 . ?
C13 C14 1.374(7) . ?
C14 H14 0.9300 . ?
C43 H43 0.9300 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 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 O21 70.62(11) . . ?
O20 Dy1 O22 137.37(11) . . ?
O20 Dy1 O41 146.93(11) . . ?
O20 Dy1 O38 78.91(10) . 2_755 ?
O20 Dy1 O40 79.49(9) . 2_665 ?
O20 Dy1 O19 102.29(9) . 2_765 ?
O20 Dy1 O37 72.14(10) . 2_755 ?
O20 Dy1 C36 76.16(11) . 2_755 ?
O21 Dy1 O38 146.35(9) . 2_755 ?
O21 Dy1 O37 125.90(10) . 2_755 ?
O21 Dy1 C36 144.51(11) . 2_755 ?
O22 Dy1 O21 69.42(11) . . ?
O22 Dy1 O38 132.96(9) . 2_755 ?
O22 Dy1 O37 146.72(9) . 2_755 ?
O22 Dy1 C36 145.73(11) . 2_755 ?
O41 Dy1 O21 140.55(10) . . ?
O41 Dy1 O22 75.62(11) . . ?
O41 Dy1 O38 72.60(9) . 2_755 ?
O41 Dy1 O37 77.39(10) . 2_755 ?
O41 Dy1 C36 70.84(10) . 2_755 ?
O38 Dy1 C36 26.64(9) 2_755 2_755 ?
O40 Dy1 O21 81.20(10) 2_665 . ?
O40 Dy1 O22 80.37(10) 2_665 . ?
O40 Dy1 O41 110.70(9) 2_665 . ?
O40 Dy1 O38 79.52(10) 2_665 2_755 ?
O40 Dy1 O37 127.86(10) 2_665 2_755 ?
O40 Dy1 C36 104.93(11) 2_665 2_755 ?
O19 Dy1 O21 73.81(11) 2_765 . ?
O19 Dy1 O22 80.26(10) 2_765 . ?
O19 Dy1 O41 82.98(9) 2_765 . ?
O19 Dy1 O38 127.93(10) 2_765 2_755 ?
O19 Dy1 O40 152.51(11) 2_765 2_665 ?
O19 Dy1 O37 77.45(10) 2_765 2_755 ?
O19 Dy1 C36 102.07(11) 2_765 2_755 ?
O37 Dy1 O38 52.98(8) 2_755 2_755 ?
O37 Dy1 C36 26.54(9) 2_755 2_755 ?
C18 O20 Dy1 162.5(3) . . ?
Dy1 O21 H21A 125(4) . . ?
Dy1 O21 H21B 103(4) . . ?
H21A O21 H21B 102(5) . . ?
Dy1 O22 H22A 109.9 . . ?
Dy1 O22 H22B 123(4) . . ?
H22A O22 H22B 109.4 . . ?
C39 O41 Dy1 167.3(2) . . ?
C36 O38 Dy1 92.7(2) . 2_755 ?
C9 O8 C2 118.5(4) . . ?
C30 O29 C23 116.9(3) . . ?
C39 O40 Dy1 113.4(2) . 2_665 ?
C18 O19 Dy1 137.6(3) . 2_765 ?
C36 O37 Dy1 93.7(2) . 2_755 ?
C15 O16 H16 109.5 . . ?
C55 N54 C56 113.1(4) . . ?
C53 N54 C55 122.8(5) . . ?
C53 N54 C56 122.5(5) . . ?
C28 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
C26 C27 C28 120.7(4) . . ?
O41 C39 O40 123.2(3) . . ?
O41 C39 C26 120.1(3) . . ?
O40 C39 C26 116.7(3) . . ?
C27 C28 H28 120.7 . . ?
C23 C28 C27 118.5(4) . . ?
C23 C28 H28 120.7 . . ?
C45 N44 C46 117.0(4) . . ?
C43 N44 C45 121.0(4) . . ?
C43 N44 C46 122.0(5) . . ?
O38 C36 Dy1 60.6(2) . 2_755 ?
O38 C36 C33 121.1(4) . . ?
O37 C36 Dy1 59.8(2) . 2_755 ?
O37 C36 O38 119.7(4) . . ?
O37 C36 C33 119.2(3) . . ?
C33 C36 Dy1 171.5(3) . 2_755 ?
C33 C34 H34 119.5 . . ?
C35 C34 H34 119.5 . . ?
C35 C34 C33 121.0(4) . . ?
C34 C33 C36 122.2(3) . . ?
C32 C33 C36 119.7(3) . . ?
C32 C33 C34 118.1(4) . . ?
C51 N49 C50 117.1(4) . . ?
C48 N49 C50 121.5(5) . . ?
C48 N49 C51 121.3(4) . . ?
C27 C26 C39 120.2(3) . . ?
C27 C26 C25 119.2(4) . . ?
C25 C26 C39 120.6(4) . . ?
C30 C31 H31 120.0 . . ?
C32 C31 H31 120.0 . . ?
C32 C31 C30 120.0(4) . . ?
C34 C35 H35 119.9 . . ?
C34 C35 C30 120.2(4) . . ?
C30 C35 H35 119.9 . . ?
O20 C18 O19 125.3(3) . . ?
O20 C18 C5 117.4(3) . . ?
O19 C18 C5 117.3(4) . . ?
O29 C30 C31 124.1(4) . . ?
O29 C30 C35 116.7(4) . . ?
C31 C30 C35 119.3(4) . . ?
N54 C55 H55A 109.5 . . ?
N54 C55 H55B 109.5 . . ?
N54 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C28 C23 O29 118.0(4) . . ?
C24 C23 O29 119.3(3) . . ?
C24 C23 C28 122.7(4) . . ?
C3 C2 O8 118.8(4) . . ?
C3 C2 C7 122.1(4) . . ?
C7 C2 O8 118.9(5) . . ?
O17 C15 O16 123.1(5) . . ?
O17 C15 C12 123.2(5) . . ?
O16 C15 C12 113.7(4) . . ?
C33 C32 H32 119.3 . . ?
C31 C32 C33 121.4(4) . . ?
C31 C32 H32 119.3 . . ?
C23 C24 H24 120.9 . . ?
C23 C24 C25 118.1(4) . . ?
C25 C24 H24 120.9 . . ?
O52 C53 N54 125.8(5) . . ?
O52 C53 H53 117.1 . . ?
N54 C53 H53 117.1 . . ?
C6 C5 C18 121.2(4) . . ?
C6 C5 C4 119.9(4) . . ?
C4 C5 C18 118.9(4) . . ?
N49 C50 H50A 109.5 . . ?
N49 C50 H50B 109.5 . . ?
N49 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C5 C6 H6 119.9 . . ?
C5 C6 C7 120.1(4) . . ?
C7 C6 H6 119.9 . . ?
C26 C25 H25 119.7 . . ?
C24 C25 C26 120.7(4) . . ?
C24 C25 H25 119.7 . . ?
C2 C3 H3 120.4 . . ?
C2 C3 C4 119.3(4) . . ?
C4 C3 H3 120.4 . . ?
C2 C7 C6 118.7(5) . . ?
C2 C7 H7 120.7 . . ?
C6 C7 H7 120.7 . . ?
C11 C12 C15 121.1(5) . . ?
C13 C12 C15 120.1(4) . . ?
C13 C12 C11 118.8(4) . . ?
N44 C45 H45A 109.5 . . ?
N44 C45 H45B 109.5 . . ?
N44 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
N49 C51 H51A 109.5 . . ?
N49 C51 H51B 109.5 . . ?
N49 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
O8 C9 C14 115.5(4) . . ?
C10 C9 O8 123.8(4) . . ?
C10 C9 C14 120.7(4) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 C12 120.0(5) . . ?
C10 C11 H11 120.0 . . ?
C9 C10 C11 120.1(4) . . ?
C9 C10 H10 119.9 . . ?
C11 C10 H10 119.9 . . ?
O47 C48 N49 125.4(5) . . ?
O47 C48 H48 117.3 . . ?
N49 C48 H48 117.3 . . ?
C5 C4 H4 120.1 . . ?
C3 C4 C5 119.9(4) . . ?
C3 C4 H4 120.1 . . ?
C12 C13 H13 119.5 . . ?
C14 C13 C12 121.0(4) . . ?
C14 C13 H13 119.5 . . ?
C9 C14 H14 120.3 . . ?
C13 C14 C9 119.3(5) . . ?
C13 C14 H14 120.3 . . ?
O42 C43 N44 125.6(5) . . ?
O42 C43 H43 117.2 . . ?
N44 C43 H43 117.2 . . ?
N44 C46 H46A 109.5 . . ?
N44 C46 H46B 109.5 . . ?
N44 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
N54 C56 H56A 109.5 . . ?
N54 C56 H56B 109.5 . . ?
N54 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O20 C18 O19 45.5(11) . . . . ?
Dy1 O20 C18 C5 -135.0(7) . . . . ?
Dy1 O41 C39 O40 -159.5(11) . . . . ?
Dy1 O41 C39 C26 21.6(16) . . . . ?
Dy1 O38 C36 O37 -9.5(3) 2_755 . . . ?
Dy1 O38 C36 C33 170.3(3) 2_755 . . . ?
Dy1 O40 C39 O41 -6.9(5) 2_665 . . . ?
Dy1 O40 C39 C26 172.1(3) 2_665 . . . ?
Dy1 O19 C18 O20 24.5(7) 2_765 . . . ?
Dy1 O19 C18 C5 -154.9(3) 2_765 . . . ?
Dy1 O37 C36 O38 9.6(3) 2_755 . . . ?
Dy1 O37 C36 C33 -170.2(3) 2_755 . . . ?
Dy1 C36 C33 C34 107.7(17) 2_755 . . . ?
Dy1 C36 C33 C32 -72.0(19) 2_755 . . . ?
O20 Dy1 O41 C39 -88.7(13) . . . . ?
O20 C18 C5 C6 177.8(4) . . . . ?
O20 C18 C5 C4 -3.8(6) . . . . ?
O21 Dy1 O20 C18 -131.8(9) . . . . ?
O21 Dy1 O41 C39 66.8(14) . . . . ?
O22 Dy1 O20 C18 -153.0(8) . . . . ?
O22 Dy1 O41 C39 94.8(13) . . . . ?
O41 Dy1 O20 C18 31.9(9) . . . . ?
O41 C39 C26 C27 17.8(6) . . . . ?
O41 C39 C26 C25 -164.1(4) . . . . ?
O38 Dy1 O20 C18 62.6(9) 2_755 . . . ?
O38 Dy1 O41 C39 -120.3(13) 2_755 . . . ?
O38 C36 C33 C34 8.3(6) . . . . ?
O38 C36 C33 C32 -171.4(3) . . . . ?
O8 C2 C3 C4 -175.3(4) . . . . ?
O8 C2 C7 C6 175.5(4) . . . . ?
O8 C9 C10 C11 -178.5(5) . . . . ?
O8 C9 C14 C13 177.6(5) . . . . ?
O29 C23 C24 C25 178.2(4) . . . . ?
O40 Dy1 O20 C18 143.9(9) 2_665 . . . ?
O40 Dy1 O41 C39 168.5(13) 2_665 . . . ?
O40 C39 C26 C27 -161.2(4) . . . . ?
O40 C39 C26 C25 16.9(6) . . . . ?
O19 Dy1 O20 C18 -64.1(9) 2_765 . . . ?
O19 Dy1 O41 C39 13.1(13) 2_765 . . . ?
O19 C18 C5 C6 -2.7(6) . . . . ?
O19 C18 C5 C4 175.6(4) . . . . ?
O37 Dy1 O20 C18 8.2(8) 2_755 . . . ?
O37 Dy1 O41 C39 -65.5(13) 2_755 . . . ?
O37 C36 C33 C34 -171.9(3) . . . . ?
O37 C36 C33 C32 8.4(6) . . . . ?
O17 C15 C12 C11 -169.8(5) . . . . ?
O17 C15 C12 C13 11.8(8) . . . . ?
O16 C15 C12 C11 10.9(7) . . . . ?
O16 C15 C12 C13 -167.5(5) . . . . ?
C27 C28 C23 O29 -179.9(4) . . . . ?
C27 C28 C23 C24 -0.1(7) . . . . ?
C27 C26 C25 C24 1.1(7) . . . . ?
C39 C26 C25 C24 -177.0(4) . . . . ?
C28 C27 C26 C39 175.3(4) . . . . ?
C28 C27 C26 C25 -2.8(7) . . . . ?
C28 C23 C24 C25 -1.5(7) . . . . ?
C36 Dy1 O20 C18 35.5(9) 2_755 . . . ?
C36 Dy1 O41 C39 -92.3(13) 2_755 . . . ?
C36 C33 C32 C31 -178.9(4) . . . . ?
C34 C33 C32 C31 1.4(6) . . . . ?
C34 C35 C30 O29 -179.6(4) . . . . ?
C34 C35 C30 C31 0.1(6) . . . . ?
C33 C34 C35 C30 0.9(6) . . . . ?
C26 C27 C28 C23 2.3(7) . . . . ?
C35 C34 C33 C36 178.6(4) . . . . ?
C35 C34 C33 C32 -1.6(6) . . . . ?
C18 C5 C6 C7 -179.3(4) . . . . ?
C18 C5 C4 C3 179.5(4) . . . . ?
C30 O29 C23 C28 88.8(5) . . . . ?
C30 O29 C23 C24 -91.0(5) . . . . ?
C30 C31 C32 C33 -0.5(6) . . . . ?
C55 N54 C53 O52 5.0(10) . . . . ?
C23 O29 C30 C31 6.0(6) . . . . ?
C23 O29 C30 C35 -174.4(4) . . . . ?
C23 C24 C25 C26 1.0(7) . . . . ?
C2 O8 C9 C10 -7.2(8) . . . . ?
C2 O8 C9 C14 173.7(5) . . . . ?
C2 C3 C4 C5 0.8(7) . . . . ?
C15 C12 C11 C10 -179.3(5) . . . . ?
C15 C12 C13 C14 178.3(5) . . . . ?
C32 C31 C30 O29 179.3(4) . . . . ?
C32 C31 C30 C35 -0.3(6) . . . . ?
C5 C6 C7 C2 -1.3(7) . . . . ?
C50 N49 C48 O47 -177.0(5) . . . . ?
C6 C5 C4 C3 -2.1(7) . . . . ?
C3 C2 C7 C6 0.0(8) . . . . ?
C7 C2 C3 C4 0.2(8) . . . . ?
C12 C11 C10 C9 0.7(9) . . . . ?
C12 C13 C14 C9 1.3(9) . . . . ?
C45 N44 C43 O42 1.2(8) . . . . ?
C51 N49 C48 O47 -0.5(8) . . . . ?
C9 O8 C2 C3 -94.5(6) . . . . ?
C9 O8 C2 C7 89.9(6) . . . . ?
C11 C12 C13 C14 -0.1(8) . . . . ?
C10 C9 C14 C13 -1.6(9) . . . . ?
C4 C5 C6 C7 2.3(7) . . . . ?
C13 C12 C11 C10 -0.9(8) . . . . ?
C14 C9 C10 C11 0.6(9) . . . . ?
C46 N44 C43 O42 178.3(5) . . . . ?
C56 N54 C53 O52 169.4(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
