#------------------------------------------------------------------------------
#$Date: 2017-04-05 12:20:08 +0300 (Wed, 05 Apr 2017) $
#$Revision: 194985 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/11/97/7119721.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7119721
loop_
_publ_author_name
'Guo, Fu-Sheng'
'Layfield, Richard A.'
_publ_section_title
;
 Strong direct exchange coupling and single-molecule magnetism in
 indigo-bridged lanthanide dimers.
;
_journal_issue                   21
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3130
_journal_page_last               3133
_journal_paper_doi               10.1039/c7cc01046j
_journal_volume                  53
_journal_year                    2017
_chemical_formula_moiety         'C76 H108 Dy2 K2 N2 O7'
_chemical_formula_sum            'C76 H108 Dy2 K2 N2 O7'
_chemical_formula_weight         1564.84
_chemical_properties_physical    ', Air-sensitive,Moisture-sensitive'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2016-10-25
_audit_creation_method
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_audit_update_record
;
2017-02-07 deposited with the CCDC.
2017-02-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 133.764(14)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   16.5520(13)
_cell_length_b                   11.6744(4)
_cell_length_c                   25.961(2)
_cell_measurement_reflns_used    6662
_cell_measurement_temperature    150.01(12)
_cell_measurement_theta_max      28.4220
_cell_measurement_theta_min      3.7720
_cell_volume                     3622.9(9)
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.01(12)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0714
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      4.00  86.00   1.00    4.00    --   18.86  57.00  30.00   82
  2  ω     12.00  59.00   1.00    4.00    --   18.86 -99.00 -60.00   47
  3  ω    -44.00  10.00   1.00    4.00    --   18.86   0.00  60.00   54
  4  ω    -87.00 -35.00   1.00    4.00    --  -17.77-178.00  90.00   52
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0000467000
_diffrn_orient_matrix_UB_12      -0.0365998000
_diffrn_orient_matrix_UB_13      0.0218198000
_diffrn_orient_matrix_UB_21      0.0160966000
_diffrn_orient_matrix_UB_22      0.0466469000
_diffrn_orient_matrix_UB_23      0.0229955000
_diffrn_orient_matrix_UB_31      -0.0570983000
_diffrn_orient_matrix_UB_32      0.0131169000
_diffrn_orient_matrix_UB_33      -0.0207298000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0372
_diffrn_reflns_av_unetI/netI     0.0591
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            15624
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         3.274
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    2.214
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.96187
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.434
_exptl_crystal_description       block
_exptl_crystal_F_000             1608
_exptl_crystal_preparation       ', Magnetic properties'
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.987
_refine_diff_density_min         -0.751
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     434
_refine_ls_number_reflns         7098
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0492
_refine_ls_R_factor_gt           0.0365
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0238P)²+4.6355P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0732
_refine_ls_wR_factor_ref         0.0802
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5834
_reflns_number_total             7098
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7cc01046j2.cif
_cod_data_source_block           aral488
_cod_depositor_comments
'Adding full bibliography for 7119716--7119721.cif.'
_cod_original_cell_volume        3622.9(7)
_cod_database_code               7119721
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_reflns_odcompleteness_completeness 99.72
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
C37 \\sim C38 \\sim C39 \\sim C40: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C35) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(O4) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
3. Others
 Fixed Sof: O4(0.5) C37(0.5) H37A(0.5) H37B(0.5) C38(0.5) H38A(0.5) H38B(0.5)
 C39(0.5) H39A(0.5) H39B(0.5) C40(0.5) H40A(0.5) H40B(0.5)
4.a Secondary CH2 refined with riding coordinates:
 C29(H29A,H29B), C30(H30A,H30B), C31(H31A,H31B), C32(H32A,H32B), C33(H33A,
 H33B), C34(H34A,H34B), C35(H35A,H35B), C36(H36A,H36B), C37(H37A,H37B),
 C38(H38A,H38B), C39(H39A,H39B), C40(H40A,H40B)
4.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7)
4.c Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C17(H17A,H17B,
 H17C), C18(H18A,H18B,H18C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C26(H26A,
 H26B,H26C), C27(H27A,H27B,H27C), C28(H28A,H28B,H28C)
;
_shelx_shelxl_version_number     2014/7
_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 1.196
_oxdiff_exptl_absorpt_empirical_full_min 0.911
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.05630(2) 0.38132(2) 0.64319(2) 0.01444(7) Uani 1 1 d . . . . .
K1 K 0.38588(8) 0.44235(9) 0.60277(6) 0.0320(3) Uani 1 1 d . . . . .
O1 O 0.1573(2) 0.4973(2) 0.64499(14) 0.0179(6) Uani 1 1 d . . . . .
O2 O 0.5915(3) 0.4124(3) 0.72921(18) 0.0429(9) Uani 1 1 d . . . . .
O3 O 0.3864(3) 0.2244(3) 0.56913(19) 0.0423(9) Uani 1 1 d . . . . .
O4 O 0.4863(7) 0.4785(9) 0.5502(5) 0.058(2) Uani 0.5 1 d . U P A -1
N1 N 0.0756(3) 0.5792(3) 0.47983(18) 0.0160(7) Uani 1 1 d . . . . .
C1 C 0.0535(3) 0.5265(3) 0.5179(2) 0.0134(8) Uani 1 1 d . . . . .
C2 C 0.1464(3) 0.5359(3) 0.5921(2) 0.0137(8) Uani 1 1 d . . . . .
C3 C 0.2300(3) 0.5968(3) 0.6013(2) 0.0146(9) Uani 1 1 d . . . . .
C4 C 0.3388(3) 0.6326(3) 0.6615(2) 0.0190(9) Uani 1 1 d . . . . .
H4 H 0.3691 0.6172 0.7071 0.023 Uiso 1 1 calc R . . . .
C5 C 0.4003(3) 0.6910(3) 0.6520(2) 0.0214(10) Uani 1 1 d . . . . .
H5 H 0.4730 0.7142 0.6915 0.026 Uiso 1 1 calc R . . . .
C6 C 0.3533(3) 0.7157(3) 0.5826(2) 0.0223(10) Uani 1 1 d . . . . .
H6 H 0.3958 0.7552 0.5771 0.027 Uiso 1 1 calc R . . . .
C7 C 0.2460(3) 0.6827(3) 0.5229(2) 0.0173(9) Uani 1 1 d . . . . .
H7 H 0.2163 0.7005 0.4776 0.021 Uiso 1 1 calc R . . . .
C8 C 0.1816(3) 0.6220(3) 0.5307(2) 0.0155(9) Uani 1 1 d . . . . .
C9 C 0.0198(3) 0.5792(3) 0.6775(2) 0.0184(9) Uani 1 1 d . . . . .
C10 C -0.0786(3) 0.5142(4) 0.6423(2) 0.0206(9) Uani 1 1 d . . . . .
C11 C -0.0511(3) 0.4196(4) 0.6865(2) 0.0193(9) Uani 1 1 d . . . . .
C12 C 0.0644(3) 0.4279(4) 0.7489(2) 0.0208(9) Uani 1 1 d . . . . .
C13 C 0.1081(3) 0.5253(4) 0.7433(2) 0.0205(10) Uani 1 1 d . . . . .
C14 C 0.0291(4) 0.6858(4) 0.6490(2) 0.0294(11) Uani 1 1 d . . . . .
H14A H 0.0823 0.6733 0.6454 0.044 Uiso 1 1 calc GR . . . .
H14B H 0.0533 0.7487 0.6807 0.044 Uiso 1 1 calc GR . . . .
H14C H -0.0426 0.7033 0.6027 0.044 Uiso 1 1 calc GR . . . .
C15 C -0.1935(4) 0.5512(4) 0.5748(2) 0.0321(12) Uani 1 1 d . . . . .
H15A H -0.1907 0.5768 0.5409 0.048 Uiso 1 1 calc GR . . . .
H15B H -0.2189 0.6127 0.5852 0.048 Uiso 1 1 calc GR . . . .
H15C H -0.2442 0.4877 0.5552 0.048 Uiso 1 1 calc GR . . . .
C16 C -0.1322(4) 0.3345(4) 0.6734(2) 0.0281(11) Uani 1 1 d . . . . .
H16A H -0.1947 0.3253 0.6229 0.042 Uiso 1 1 calc GR . . . .
H16B H -0.1581 0.3619 0.6947 0.042 Uiso 1 1 calc GR . . . .
H16C H -0.0954 0.2621 0.6941 0.042 Uiso 1 1 calc GR . . . .
C17 C 0.1247(4) 0.3601(4) 0.8164(2) 0.0333(12) Uani 1 1 d . . . . .
H17A H 0.0878 0.2879 0.8049 0.050 Uiso 1 1 calc GR . . . .
H17B H 0.1244 0.4022 0.8480 0.050 Uiso 1 1 calc GR . . . .
H17C H 0.2006 0.3471 0.8391 0.050 Uiso 1 1 calc GR . . . .
C18 C 0.2274(4) 0.5665(4) 0.7978(3) 0.0325(12) Uani 1 1 d . . . . .
H18A H 0.2742 0.5070 0.8322 0.049 Uiso 1 1 calc GR . . . .
H18B H 0.2322 0.6329 0.8216 0.049 Uiso 1 1 calc GR . . . .
H18C H 0.2519 0.5857 0.7745 0.049 Uiso 1 1 calc GR . . . .
C19 C 0.1925(3) 0.2361(3) 0.6534(2) 0.0210(10) Uani 1 1 d . . . . .
C20 C 0.2137(3) 0.2196(3) 0.7160(2) 0.0191(9) Uani 1 1 d . . . . .
C21 C 0.1196(4) 0.1649(3) 0.6962(2) 0.0218(10) Uani 1 1 d . . . . .
C22 C 0.0391(3) 0.1509(3) 0.6213(2) 0.0220(10) Uani 1 1 d . . . . .
C23 C 0.0842(3) 0.1935(3) 0.5947(2) 0.0198(9) Uani 1 1 d . . . . .
C24 C 0.2727(4) 0.2857(4) 0.6502(3) 0.0287(11) Uani 1 1 d . . . . .
H24A H 0.2316 0.3181 0.6038 0.043 Uiso 1 1 calc GR . . . .
H24B H 0.3211 0.2264 0.6589 0.043 Uiso 1 1 calc GR . . . .
H24C H 0.3167 0.3444 0.6857 0.043 Uiso 1 1 calc GR . . . .
C25 C 0.3215(4) 0.2483(4) 0.7907(2) 0.0336(12) Uani 1 1 d . . . . .
H25A H 0.3516 0.3179 0.7901 0.050 Uiso 1 1 calc GR . . . .
H25B H 0.3741 0.1872 0.8090 0.050 Uiso 1 1 calc GR . . . .
H25C H 0.3073 0.2580 0.8206 0.050 Uiso 1 1 calc GR . . . .
C26 C 0.1117(4) 0.1089(4) 0.7449(3) 0.0331(12) Uani 1 1 d . . . . .
H26A H 0.1723 0.1349 0.7929 0.050 Uiso 1 1 calc GR . . . .
H26B H 0.1160 0.0272 0.7430 0.050 Uiso 1 1 calc GR . . . .
H26C H 0.0418 0.1289 0.7299 0.050 Uiso 1 1 calc GR . . . .
C27 C -0.0680(4) 0.0828(4) 0.5796(3) 0.0352(12) Uani 1 1 d . . . . .
H27A H -0.1025 0.1007 0.5968 0.053 Uiso 1 1 calc GR . . . .
H27B H -0.0512 0.0025 0.5857 0.053 Uiso 1 1 calc GR . . . .
H27C H -0.1181 0.1022 0.5299 0.053 Uiso 1 1 calc GR . . . .
C28 C 0.0307(4) 0.1872(4) 0.5188(2) 0.0336(12) Uani 1 1 d . . . . .
H28A H -0.0482 0.2007 0.4871 0.050 Uiso 1 1 calc GR . . . .
H28B H 0.0431 0.1127 0.5097 0.050 Uiso 1 1 calc GR . . . .
H28C H 0.0631 0.2443 0.5110 0.050 Uiso 1 1 calc GR . . . .
C29 C 0.6957(5) 0.3898(7) 0.7514(3) 0.076(2) Uani 1 1 d . . . . .
H29A H 0.7072 0.4430 0.7283 0.092 Uiso 1 1 calc R . . . .
H29B H 0.6956 0.3128 0.7374 0.092 Uiso 1 1 calc R . . . .
C30 C 0.7849(4) 0.4013(5) 0.8273(3) 0.0488(15) Uani 1 1 d . . . . .
H30A H 0.8394 0.4565 0.8392 0.059 Uiso 1 1 calc R . . . .
H30B H 0.8222 0.3283 0.8486 0.059 Uiso 1 1 calc R . . . .
C31 C 0.7339(4) 0.4412(4) 0.8546(3) 0.0325(12) Uani 1 1 d . . . . .
H31A H 0.7710 0.5096 0.8835 0.039 Uiso 1 1 calc R . . . .
H31B H 0.7383 0.3820 0.8827 0.039 Uiso 1 1 calc R . . . .
C32 C 0.6134(4) 0.4659(4) 0.7870(3) 0.0415(13) Uani 1 1 d . . . . .
H32A H 0.5634 0.4360 0.7911 0.050 Uiso 1 1 calc R . . . .
H32B H 0.6016 0.5479 0.7791 0.050 Uiso 1 1 calc R . . . .
C33 C 0.2970(5) 0.1483(5) 0.5163(3) 0.076(2) Uani 1 1 d . . . . .
H33A H 0.2524 0.1808 0.4691 0.092 Uiso 1 1 calc R . . . .
H33B H 0.2489 0.1354 0.5247 0.092 Uiso 1 1 calc R . . . .
C34 C 0.3489(5) 0.0386(5) 0.5222(4) 0.085(3) Uani 1 1 d . . . . .
H34A H 0.3108 -0.0264 0.5208 0.102 Uiso 1 1 calc R . . . .
H34B H 0.3460 0.0313 0.4838 0.102 Uiso 1 1 calc R . . . .
C35 C 0.4603(6) 0.0449(6) 0.5886(5) 0.099(3) Uani 1 1 d . U . . .
H35A H 0.5108 0.0291 0.5825 0.119 Uiso 1 1 calc R . . . .
H35B H 0.4730 -0.0121 0.6207 0.119 Uiso 1 1 calc R . . . .
C36 C 0.4824(5) 0.1572(5) 0.6185(4) 0.084(3) Uani 1 1 d . . . . .
H36A H 0.5005 0.1523 0.6629 0.101 Uiso 1 1 calc R . . . .
H36B H 0.5454 0.1913 0.6285 0.101 Uiso 1 1 calc R . . . .
C37 C 0.4918(16) 0.3945(17) 0.5074(11) 0.081(4) Uani 0.5 1 d . U P A -1
H37A H 0.5672 0.3654 0.5363 0.097 Uiso 0.5 1 calc R . P A -1
H37B H 0.4415 0.3304 0.4908 0.097 Uiso 0.5 1 calc R . P A -1
C38 C 0.4561(16) 0.4636(18) 0.4449(10) 0.076(4) Uani 0.5 1 d . U P A -1
H38A H 0.5016 0.4412 0.4358 0.091 Uiso 0.5 1 calc R . P A -1
H38B H 0.3789 0.4454 0.4028 0.091 Uiso 0.5 1 calc R . P A -1
C39 C 0.4649(18) 0.5720(18) 0.4553(11) 0.085(5) Uani 0.5 1 d . U P A -1
H39A H 0.3946 0.6097 0.4165 0.102 Uiso 0.5 1 calc R . P A -1
H39B H 0.5225 0.6031 0.4584 0.102 Uiso 0.5 1 calc R . P A -1
C40 C 0.4956(16) 0.5894(16) 0.5247(11) 0.071(4) Uani 0.5 1 d . U P A -1
H40A H 0.5716 0.6181 0.5605 0.085 Uiso 0.5 1 calc R . P A -1
H40B H 0.4462 0.6460 0.5181 0.085 Uiso 0.5 1 calc R . P A -1
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'
K K 0.2009 0.2494 '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'
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
O1 Dy1 N1 83.23(11) . 3_566
O1 Dy1 C9 78.43(11) . .
O1 Dy1 C10 105.48(12) . .
O1 Dy1 C11 127.98(12) . .
O1 Dy1 C12 111.28(12) . .
O1 Dy1 C13 82.00(12) . .
O1 Dy1 C19 78.80(12) . .
O1 Dy1 C20 93.85(12) . .
O1 Dy1 C21 123.98(11) . .
O1 Dy1 C22 126.88(12) . .
O1 Dy1 C23 98.08(12) . .
N1 Dy1 C9 94.09(12) 3_566 .
N1 Dy1 C10 83.74(12) 3_566 .
N1 Dy1 C11 105.72(12) 3_566 .
N1 Dy1 C12 133.26(12) 3_566 .
N1 Dy1 C13 124.46(12) 3_566 .
N1 Dy1 C19 100.66(12) 3_566 .
N1 Dy1 C20 129.43(12) 3_566 .
N1 Dy1 C21 122.72(13) 3_566 .
N1 Dy1 C22 92.59(12) 3_566 .
N1 Dy1 C23 79.92(12) 3_566 .
C9 Dy1 C10 30.42(12) . .
C9 Dy1 C11 50.28(12) . .
C9 Dy1 C12 50.00(12) . .
C9 Dy1 C21 136.64(13) . .
C9 Dy1 C22 154.47(13) . .
C9 Dy1 C23 173.44(12) . .
C10 Dy1 C11 30.37(12) . .
C10 Dy1 C12 49.87(12) . .
C10 Dy1 C21 124.36(13) . .
C10 Dy1 C22 126.75(13) . .
C10 Dy1 C23 149.42(13) . .
C11 Dy1 C22 104.20(13) . .
C11 Dy1 C23 133.82(13) . .
C12 Dy1 C11 30.25(12) . .
C12 Dy1 C21 86.68(13) . .
C12 Dy1 C22 109.56(13) . .
C12 Dy1 C23 136.46(13) . .
C13 Dy1 C9 30.44(12) . .
C13 Dy1 C10 50.15(12) . .
C13 Dy1 C11 50.21(12) . .
C13 Dy1 C12 30.24(12) . .
C13 Dy1 C21 109.78(13) . .
C13 Dy1 C22 137.44(14) . .
C13 Dy1 C23 155.19(12) . .
C19 Dy1 C9 151.09(13) . .
C19 Dy1 C10 174.29(13) . .
C19 Dy1 C11 143.94(13) . .
C19 Dy1 C12 125.28(13) . .
C19 Dy1 C13 127.96(13) . .
C19 Dy1 C21 50.14(13) . .
C19 Dy1 C22 49.89(12) . .
C19 Dy1 C23 30.35(12) . .
C20 Dy1 C9 134.92(13) . .
C20 Dy1 C10 143.87(13) . .
C20 Dy1 C11 114.91(13) . .
C20 Dy1 C12 94.86(13) . .
C20 Dy1 C13 104.80(13) . .
C20 Dy1 C19 30.76(12) . .
C20 Dy1 C21 30.36(12) . .
C20 Dy1 C22 50.09(13) . .
C20 Dy1 C23 50.39(12) . .
C21 Dy1 C11 94.42(13) . .
C21 Dy1 C22 30.13(13) . .
C21 Dy1 C23 49.88(13) . .
C23 Dy1 C22 30.04(12) . .
O2 K1 O3 89.27(11) . .
O2 K1 O4 86.4(2) . .
O2 K1 C3 115.67(11) . .
O2 K1 C4 91.73(11) . .
O2 K1 C5 86.94(11) . .
O2 K1 C6 105.04(11) . .
O2 K1 C7 129.22(11) . .
O2 K1 C8 136.96(11) . .
O2 K1 C15 153.71(12) . 3_566
O2 K1 C24 92.16(12) . .
O2 K1 C32 21.64(11) . .
O3 K1 O4 81.3(2) . .
O3 K1 C3 136.80(11) . .
O3 K1 C4 154.13(12) . .
O3 K1 C5 176.18(12) . .
O3 K1 C6 157.26(12) . .
O3 K1 C7 139.29(11) . .
O3 K1 C8 131.17(11) . .
O3 K1 C15 77.69(11) . 3_566
O3 K1 C24 74.66(12) . .
O3 K1 C32 106.01(11) . .
O4 K1 C3 131.8(2) . .
O4 K1 C4 124.5(2) . .
O4 K1 C5 98.9(2) . .
O4 K1 C6 82.0(2) . .
O4 K1 C7 87.7(2) . .
O4 K1 C8 110.6(2) . .
O4 K1 C15 69.2(2) . 3_566
O4 K1 C24 156.0(2) . .
O4 K1 C32 102.3(2) . .
C3 K1 C6 51.83(10) . .
C3 K1 C7 44.57(10) . .
C3 K1 C8 25.87(10) . .
C3 K1 C15 88.81(11) . 3_566
C3 K1 C24 69.99(11) . .
C3 K1 C32 94.05(12) . .
C4 K1 C3 26.09(10) . .
C4 K1 C5 25.77(10) . .
C4 K1 C6 45.16(11) . .
C4 K1 C7 52.47(11) . .
C4 K1 C8 45.74(10) . .
C4 K1 C15 109.96(11) . 3_566
C4 K1 C24 79.48(11) . .
C4 K1 C32 70.65(11) . .
C5 K1 C3 45.23(10) . .
C5 K1 C6 25.69(11) . .
C5 K1 C7 44.48(11) . .
C5 K1 C8 52.34(10) . .
C5 K1 C15 105.99(12) . 3_566
C5 K1 C24 104.94(11) . .
C5 K1 C32 70.19(12) . .
C6 K1 C7 24.36(10) . .
C6 K1 C8 43.66(10) . .
C6 K1 C15 81.98(12) . 3_566
C6 K1 C24 121.32(11) . .
C6 K1 C32 92.60(12) . .
C7 K1 C15 61.80(11) . 3_566
C7 K1 C24 111.22(10) . .
C7 K1 C32 114.63(11) . .
C8 K1 C7 24.79(9) . .
C8 K1 C15 64.61(11) . 3_566
C8 K1 C24 86.62(10) . .
C8 K1 C32 116.35(11) . .
C15 K1 C24 105.94(12) 3_566 .
C15 K1 C32 170.42(13) 3_566 .
C24 K1 C32 83.62(13) . .
C2 O1 Dy1 130.4(2) . .
C29 O2 K1 133.5(4) . .
C29 O2 C32 107.6(4) . .
C32 O2 K1 114.9(3) . .
C33 O3 K1 131.5(3) . .
C36 O3 K1 119.2(3) . .
C36 O3 C33 107.2(4) . .
C37 O4 K1 127.3(10) . .
C40 O4 K1 127.9(9) . .
C40 O4 C37 99.0(12) . .
C1 N1 Dy1 126.2(2) . 3_566
C8 N1 Dy1 127.3(3) . 3_566
C8 N1 C1 105.3(3) . .
N1 C1 C1 121.9(4) . 3_566
C2 C1 N1 110.9(3) . .
C2 C1 C1 127.1(5) . 3_566
O1 C2 C1 128.6(3) . .
O1 C2 C3 124.9(4) . .
C1 C2 C3 106.5(3) . .
C2 C3 K1 114.4(2) . .
C2 C3 C8 105.6(3) . .
C4 C3 K1 75.2(2) . .
C4 C3 C2 133.4(4) . .
C4 C3 C8 120.9(4) . .
C8 C3 K1 82.0(2) . .
K1 C4 H4 113.1 . .
C3 C4 K1 78.7(2) . .
C3 C4 H4 120.5 . .
C5 C4 K1 78.3(2) . .
C5 C4 C3 119.0(4) . .
C5 C4 H4 120.5 . .
K1 C5 H5 113.4 . .
C4 C5 K1 75.9(2) . .
C4 C5 H5 119.9 . .
C4 C5 C6 120.3(4) . .
C6 C5 K1 81.3(2) . .
C6 C5 H5 119.9 . .
K1 C6 H6 117.2 . .
C5 C6 K1 73.0(2) . .
C5 C6 H6 119.2 . .
C7 C6 K1 81.2(2) . .
C7 C6 C5 121.5(4) . .
C7 C6 H6 119.2 . .
K1 C7 H7 120.8 . .
C6 C7 K1 74.5(2) . .
C6 C7 H7 120.2 . .
C6 C7 C8 119.6(4) . .
C8 C7 K1 75.7(2) . .
C8 C7 H7 120.2 . .
N1 C8 K1 116.7(2) . .
N1 C8 C3 111.7(3) . .
N1 C8 C7 129.7(4) . .
C3 C8 K1 72.2(2) . .
C7 C8 K1 79.5(2) . .
C7 C8 C3 118.6(4) . .
C10 C9 Dy1 75.4(2) . .
C10 C9 C14 125.9(4) . .
C13 C9 Dy1 74.7(2) . .
C13 C9 C10 107.9(4) . .
C13 C9 C14 126.1(4) . .
C14 C9 Dy1 115.0(3) . .
C9 C10 Dy1 74.2(2) . .
C9 C10 C11 108.2(4) . .
C9 C10 C15 124.1(4) . .
C11 C10 Dy1 75.3(2) . .
C11 C10 C15 127.1(4) . .
C15 C10 Dy1 123.0(3) . .
C10 C11 Dy1 74.4(2) . .
C10 C11 C16 126.3(4) . .
C12 C11 Dy1 74.6(2) . .
C12 C11 C10 107.2(4) . .
C12 C11 C16 126.1(4) . .
C16 C11 Dy1 122.2(3) . .
C11 C12 Dy1 75.2(2) . .
C11 C12 C17 125.5(4) . .
C13 C12 Dy1 74.1(2) . .
C13 C12 C11 108.6(4) . .
C13 C12 C17 124.7(4) . .
C17 C12 Dy1 126.9(3) . .
C9 C13 Dy1 74.8(2) . .
C9 C13 C18 125.5(4) . .
C12 C13 Dy1 75.7(2) . .
C12 C13 C9 108.0(4) . .
C12 C13 C18 126.4(4) . .
C18 C13 Dy1 116.2(3) . .
C9 C14 H14A 109.5 . .
C9 C14 H14B 109.5 . .
C9 C14 H14C 109.5 . .
H14A C14 H14B 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
K1 C15 H15A 48.0 3_566 .
K1 C15 H15B 100.8 3_566 .
K1 C15 H15C 68.6 3_566 .
C10 C15 K1 147.9(3) . 3_566
C10 C15 H15A 109.5 . .
C10 C15 H15B 109.5 . .
C10 C15 H15C 109.5 . .
H15A C15 H15B 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C11 C16 H16A 109.5 . .
C11 C16 H16B 109.5 . .
C11 C16 H16C 109.5 . .
H16A C16 H16B 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C12 C17 H17A 109.5 . .
C12 C17 H17B 109.5 . .
C12 C17 H17C 109.5 . .
H17A C17 H17B 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C13 C18 H18A 109.5 . .
C13 C18 H18B 109.5 . .
C13 C18 H18C 109.5 . .
H18A C18 H18B 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C20 C19 Dy1 74.0(2) . .
C20 C19 C24 126.0(4) . .
C23 C19 Dy1 76.3(2) . .
C23 C19 C20 108.1(4) . .
C23 C19 C24 125.9(4) . .
C24 C19 Dy1 117.7(3) . .
C19 C20 Dy1 75.3(2) . .
C19 C20 C25 125.4(4) . .
C21 C20 Dy1 76.8(2) . .
C21 C20 C19 107.9(4) . .
C21 C20 C25 126.5(4) . .
C25 C20 Dy1 117.5(3) . .
C20 C21 Dy1 72.8(2) . .
C20 C21 C22 107.8(4) . .
C20 C21 C26 127.2(4) . .
C22 C21 Dy1 75.2(2) . .
C22 C21 C26 123.9(4) . .
C26 C21 Dy1 127.0(3) . .
C21 C22 Dy1 74.7(2) . .
C21 C22 C27 124.5(4) . .
C23 C22 Dy1 74.9(2) . .
C23 C22 C21 108.5(4) . .
C23 C22 C27 126.1(4) . .
C27 C22 Dy1 124.7(3) . .
C19 C23 Dy1 73.3(2) . .
C19 C23 C28 125.9(4) . .
C22 C23 Dy1 75.0(2) . .
C22 C23 C19 107.6(4) . .
C22 C23 C28 126.4(4) . .
C28 C23 Dy1 120.7(3) . .
K1 C24 H24A 54.9 . .
K1 C24 H24B 84.0 . .
K1 C24 H24C 73.9 . .
C19 C24 K1 163.1(3) . .
C19 C24 H24A 109.5 . .
C19 C24 H24B 109.5 . .
C19 C24 H24C 109.5 . .
H24A C24 H24B 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C20 C25 H25A 109.5 . .
C20 C25 H25B 109.5 . .
C20 C25 H25C 109.5 . .
H25A C25 H25B 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C21 C26 H26A 109.5 . .
C21 C26 H26B 109.5 . .
C21 C26 H26C 109.5 . .
H26A C26 H26B 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C22 C27 H27A 109.5 . .
C22 C27 H27B 109.5 . .
C22 C27 H27C 109.5 . .
H27A C27 H27B 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C23 C28 H28A 109.5 . .
C23 C28 H28B 109.5 . .
C23 C28 H28C 109.5 . .
H28A C28 H28B 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
O2 C29 H29A 109.6 . .
O2 C29 H29B 109.6 . .
O2 C29 C30 110.4(5) . .
H29A C29 H29B 108.1 . .
C30 C29 H29A 109.6 . .
C30 C29 H29B 109.6 . .
C29 C30 H30A 110.3 . .
C29 C30 H30B 110.3 . .
C29 C30 C31 107.2(5) . .
H30A C30 H30B 108.5 . .
C31 C30 H30A 110.3 . .
C31 C30 H30B 110.3 . .
C30 C31 H31A 111.1 . .
C30 C31 H31B 111.1 . .
C30 C31 C32 103.4(4) . .
H31A C31 H31B 109.0 . .
C32 C31 H31A 111.1 . .
C32 C31 H31B 111.1 . .
K1 C32 H32A 85.9 . .
K1 C32 H32B 85.4 . .
O2 C32 K1 43.5(2) . .
O2 C32 C31 108.0(4) . .
O2 C32 H32A 110.1 . .
O2 C32 H32B 110.1 . .
C31 C32 K1 151.5(3) . .
C31 C32 H32A 110.1 . .
C31 C32 H32B 110.1 . .
H32A C32 H32B 108.4 . .
O3 C33 H33A 110.3 . .
O3 C33 H33B 110.3 . .
O3 C33 C34 107.1(5) . .
H33A C33 H33B 108.6 . .
C34 C33 H33A 110.3 . .
C34 C33 H33B 110.3 . .
C33 C34 H34A 110.8 . .
C33 C34 H34B 110.8 . .
H34A C34 H34B 108.9 . .
C35 C34 C33 104.8(6) . .
C35 C34 H34A 110.8 . .
C35 C34 H34B 110.8 . .
C34 C35 H35A 109.7 . .
C34 C35 H35B 109.7 . .
C34 C35 C36 109.8(6) . .
H35A C35 H35B 108.2 . .
C36 C35 H35A 109.7 . .
C36 C35 H35B 109.7 . .
O3 C36 C35 108.2(5) . .
O3 C36 H36A 110.1 . .
O3 C36 H36B 110.1 . .
C35 C36 H36A 110.1 . .
C35 C36 H36B 110.1 . .
H36A C36 H36B 108.4 . .
O4 C37 H37A 110.7 . .
O4 C37 H37B 110.7 . .
H37A C37 H37B 108.8 . .
C38 C37 O4 105.0(16) . .
C38 C37 H37A 110.7 . .
C38 C37 H37B 110.7 . .
C37 C38 H38A 108.9 . .
C37 C38 H38B 108.9 . .
H38A C38 H38B 107.7 . .
C39 C38 C37 113.4(16) . .
C39 C38 H38A 108.9 . .
C39 C38 H38B 108.9 . .
C38 C39 H39A 110.5 . .
C38 C39 H39B 110.5 . .
C38 C39 C40 106.2(17) . .
H39A C39 H39B 108.7 . .
C40 C39 H39A 110.5 . .
C40 C39 H39B 110.5 . .
O4 C40 C39 110.8(15) . .
O4 C40 H40A 109.5 . .
O4 C40 H40B 109.5 . .
C39 C40 H40A 109.5 . .
C39 C40 H40B 109.5 . .
H40A C40 H40B 108.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O1 2.127(3) .
Dy1 N1 2.352(3) 3_566
Dy1 C9 2.691(4) .
Dy1 C10 2.706(4) .
Dy1 C11 2.718(4) .
Dy1 C12 2.710(4) .
Dy1 C13 2.690(4) .
Dy1 C19 2.684(4) .
Dy1 C20 2.667(4) .
Dy1 C21 2.717(4) .
Dy1 C22 2.723(4) .
Dy1 C23 2.722(4) .
K1 O2 2.651(3) .
K1 O3 2.692(3) .
K1 O4 2.819(8) .
K1 C3 3.127(4) .
K1 C4 3.083(4) .
K1 C5 3.114(4) .
K1 C6 3.219(4) .
K1 C7 3.301(4) .
K1 C8 3.252(4) .
K1 C15 3.330(5) 3_566
K1 C24 3.399(4) .
K1 C32 3.495(5) .
O1 C2 1.334(5) .
O2 C29 1.414(6) .
O2 C32 1.421(6) .
O3 C33 1.432(7) .
O3 C36 1.402(6) .
O4 C37 1.531(19) .
O4 C40 1.51(2) .
N1 Dy1 2.352(3) 3_566
N1 C1 1.410(5) .
N1 C8 1.367(5) .
C1 C1 1.452(7) 3_566
C1 C2 1.409(5) .
C2 C3 1.421(5) .
C3 C4 1.402(5) .
C3 C8 1.433(5) .
C4 H4 0.9300 .
C4 C5 1.382(6) .
C5 H5 0.9300 .
C5 C6 1.412(6) .
C6 H6 0.9300 .
C6 C7 1.378(5) .
C7 H7 0.9300 .
C7 C8 1.407(5) .
C9 C10 1.416(6) .
C9 C13 1.413(6) .
C9 C14 1.509(6) .
C10 C11 1.421(6) .
C10 C15 1.505(6) .
C11 C12 1.416(6) .
C11 C16 1.507(6) .
C12 C13 1.409(6) .
C12 C17 1.506(6) .
C13 C18 1.506(6) .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 K1 3.330(5) 3_566
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 C20 1.419(6) .
C19 C23 1.415(6) .
C19 C24 1.503(6) .
C20 C21 1.411(6) .
C20 C25 1.507(6) .
C21 C22 1.414(6) .
C21 C26 1.508(6) .
C22 C23 1.411(6) .
C22 C27 1.513(6) .
C23 C28 1.504(6) .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C29 C30 1.433(8) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C30 C31 1.502(7) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C31 C32 1.517(6) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C33 C34 1.490(8) .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C34 C35 1.407(9) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C35 C36 1.436(9) .
C36 H36A 0.9700 .
C36 H36B 0.9700 .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C37 C38 1.52(2) .
C38 H38A 0.9700 .
C38 H38B 0.9700 .
C38 C39 1.28(3) .
C39 H39A 0.9700 .
C39 H39B 0.9700 .
C39 C40 1.51(2) .
C40 H40A 0.9700 .
C40 H40B 0.9700 .
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_4
Dy1 O1 C2 C1 12.5(6) . .
Dy1 O1 C2 C3 -167.8(3) . .
Dy1 N1 C1 C1 10.0(6) 3_566 3_566
Dy1 N1 C1 C2 -168.7(2) 3_566 .
Dy1 N1 C8 K1 -110.9(3) 3_566 .
Dy1 N1 C8 C3 168.8(2) 3_566 .
Dy1 N1 C8 C7 -12.1(6) 3_566 .
Dy1 C9 C10 C11 68.2(3) . .
Dy1 C9 C10 C15 -119.5(4) . .
Dy1 C9 C13 C12 -69.0(3) . .
Dy1 C9 C13 C18 111.6(4) . .
Dy1 C10 C11 C12 67.9(3) . .
Dy1 C10 C11 C16 -118.7(4) . .
Dy1 C10 C15 K1 -5.7(8) . 3_566
Dy1 C11 C12 C13 67.1(3) . .
Dy1 C11 C12 C17 -125.0(4) . .
Dy1 C12 C13 C9 68.4(3) . .
Dy1 C12 C13 C18 -112.2(4) . .
Dy1 C19 C20 C21 70.5(3) . .
Dy1 C19 C20 C25 -113.5(4) . .
Dy1 C19 C23 C22 -67.8(3) . .
Dy1 C19 C23 C28 116.2(4) . .
Dy1 C19 C24 K1 -44.3(12) . .
Dy1 C20 C21 C22 67.7(3) . .
Dy1 C20 C21 C26 -123.8(4) . .
Dy1 C21 C22 C23 67.9(3) . .
Dy1 C21 C22 C27 -121.9(4) . .
Dy1 C22 C23 C19 66.7(3) . .
Dy1 C22 C23 C28 -117.4(4) . .
K1 O2 C29 C30 169.8(4) . .
K1 O2 C32 C31 -179.5(3) . .
K1 O3 C33 C34 179.2(4) . .
K1 O3 C36 C35 178.7(5) . .
K1 O4 C37 C38 132.1(11) . .
K1 O4 C40 C39 -134.3(11) . .
K1 C3 C4 C5 69.7(3) . .
K1 C3 C8 N1 112.3(3) . .
K1 C3 C8 C7 -66.8(3) . .
K1 C4 C5 C6 70.9(4) . .
K1 C5 C6 C7 67.9(4) . .
K1 C6 C7 C8 63.1(3) . .
K1 C7 C8 N1 -116.1(4) . .
K1 C7 C8 C3 62.9(3) . .
O1 C2 C3 K1 92.5(4) . .
O1 C2 C3 C4 0.0(7) . .
O1 C2 C3 C8 -179.4(4) . .
O2 C29 C30 C31 -3.7(8) . .
O3 C33 C34 C35 15.4(9) . .
O4 C37 C38 C39 20(2) . .
N1 C1 C2 O1 179.9(4) . .
N1 C1 C2 C3 0.1(4) . .
C1 N1 C8 K1 81.2(3) . .
C1 N1 C8 C3 0.9(4) . .
C1 N1 C8 C7 180.0(4) . .
C1 C1 C2 O1 1.2(8) 3_566 .
C1 C1 C2 C3 -178.5(5) 3_566 .
C1 C2 C3 K1 -87.8(3) . .
C1 C2 C3 C4 179.7(4) . .
C1 C2 C3 C8 0.4(4) . .
C2 C3 C4 K1 109.8(4) . .
C2 C3 C4 C5 179.5(4) . .
C2 C3 C8 K1 -113.2(3) . .
C2 C3 C8 N1 -0.8(4) . .
C2 C3 C8 C7 180.0(3) . .
C3 C4 C5 K1 -69.9(3) . .
C3 C4 C5 C6 1.0(6) . .
C4 C3 C8 K1 67.4(3) . .
C4 C3 C8 N1 179.7(3) . .
C4 C3 C8 C7 0.5(6) . .
C4 C5 C6 K1 -68.0(4) . .
C4 C5 C6 C7 -0.1(6) . .
C5 C6 C7 K1 -63.7(4) . .
C5 C6 C7 C8 -0.6(6) . .
C6 C7 C8 K1 -62.5(3) . .
C6 C7 C8 N1 -178.6(4) . .
C6 C7 C8 C3 0.4(6) . .
C8 N1 C1 C1 178.1(4) . 3_566
C8 N1 C1 C2 -0.6(4) . .
C8 C3 C4 K1 -70.9(3) . .
C8 C3 C4 C5 -1.2(6) . .
C9 C10 C11 Dy1 -67.5(3) . .
C9 C10 C11 C12 0.5(5) . .
C9 C10 C11 C16 173.8(4) . .
C9 C10 C15 K1 87.1(7) . 3_566
C10 C9 C13 Dy1 68.7(3) . .
C10 C9 C13 C12 -0.3(5) . .
C10 C9 C13 C18 -179.7(4) . .
C10 C11 C12 Dy1 -67.8(3) . .
C10 C11 C12 C13 -0.6(5) . .
C10 C11 C12 C17 167.2(4) . .
C11 C10 C15 K1 -102.1(6) . 3_566
C11 C12 C13 Dy1 -67.9(3) . .
C11 C12 C13 C9 0.6(5) . .
C11 C12 C13 C18 179.9(4) . .
C13 C9 C10 Dy1 -68.3(3) . .
C13 C9 C10 C11 -0.1(5) . .
C13 C9 C10 C15 172.2(4) . .
C14 C9 C10 Dy1 110.6(4) . .
C14 C9 C10 C11 178.8(4) . .
C14 C9 C10 C15 -8.9(7) . .
C14 C9 C13 Dy1 -110.1(4) . .
C14 C9 C13 C12 -179.2(4) . .
C14 C9 C13 C18 1.5(7) . .
C15 C10 C11 Dy1 120.5(4) . .
C15 C10 C11 C12 -171.6(4) . .
C15 C10 C11 C16 1.8(7) . .
C16 C11 C12 Dy1 118.9(4) . .
C16 C11 C12 C13 -174.0(4) . .
C16 C11 C12 C17 -6.1(7) . .
C17 C12 C13 Dy1 124.1(4) . .
C17 C12 C13 C9 -167.4(4) . .
C17 C12 C13 C18 11.9(7) . .
C19 C20 C21 Dy1 -69.5(3) . .
C19 C20 C21 C22 -1.8(5) . .
C19 C20 C21 C26 166.7(4) . .
C20 C19 C23 Dy1 67.7(3) . .
C20 C19 C23 C22 -0.1(5) . .
C20 C19 C23 C28 -176.0(4) . .
C20 C19 C24 K1 -134.1(9) . .
C20 C21 C22 Dy1 -66.1(3) . .
C20 C21 C22 C23 1.8(5) . .
C20 C21 C22 C27 172.0(4) . .
C21 C22 C23 Dy1 -67.7(3) . .
C21 C22 C23 C19 -1.1(5) . .
C21 C22 C23 C28 174.9(4) . .
C23 C19 C20 Dy1 -69.3(3) . .
C23 C19 C20 C21 1.2(5) . .
C23 C19 C20 C25 177.2(4) . .
C23 C19 C24 K1 48.5(13) . .
C24 C19 C20 Dy1 112.9(4) . .
C24 C19 C20 C21 -176.6(4) . .
C24 C19 C20 C25 -0.6(7) . .
C24 C19 C23 Dy1 -114.5(4) . .
C24 C19 C23 C22 177.7(4) . .
C24 C19 C23 C28 1.7(7) . .
C25 C20 C21 Dy1 114.6(4) . .
C25 C20 C21 C22 -177.8(4) . .
C25 C20 C21 C26 -9.2(7) . .
C26 C21 C22 Dy1 124.9(4) . .
C26 C21 C22 C23 -167.2(4) . .
C26 C21 C22 C27 3.0(7) . .
C27 C22 C23 Dy1 122.2(4) . .
C27 C22 C23 C19 -171.1(4) . .
C27 C22 C23 C28 4.9(7) . .
C29 O2 C32 K1 160.7(5) . .
C29 O2 C32 C31 -18.9(6) . .
C29 C30 C31 C32 -7.4(6) . .
C30 C31 C32 K1 15.4(9) . .
C30 C31 C32 O2 16.1(5) . .
C32 O2 C29 C30 14.3(7) . .
C33 O3 C36 C35 13.2(9) . .
C33 C34 C35 C36 -7.5(11) . .
C34 C35 C36 O3 -3.3(11) . .
C36 O3 C33 C34 -17.7(8) . .
C37 O4 C40 C39 19.9(16) . .
C37 C38 C39 C40 -7(3) . .
C38 C39 C40 O4 -9(2) . .
C40 O4 C37 C38 -22.3(15) . .
