#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:24:32 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180181 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/77/7107749.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_7107749
loop_
_publ_author_name
'Ursula J.Williams'
'Brian D. Mahoney'
'Patrick T. DeGregorio'
'Patrick Carroll'
'Eiko Nakamaru-Ogiso'
'James M.Kikkawa'
'Eric J. Schelter'
_publ_section_title
;
 A comparison of the effects of symmetry and magnetoanisotropy on
 paramagnetic relaxation in related dysprosium single ion magnets
;
_journal_name_full               Chem.Commun.
_journal_page_first              5593
_journal_paper_doi               10.1039/c2cc31227a
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'C60 H78 Dy K N8 O8'
_chemical_formula_weight         1240.90
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.726(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.5601(9)
_cell_length_b                   17.6684(14)
_cell_length_c                   14.8072(12)
_cell_measurement_temperature    143(1)
_cell_volume                     2911.1(4)
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      143(1)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device       'CCD Area Detector'
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0321
_diffrn_reflns_av_sigmaI/netI    0.0177
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            63950
_diffrn_reflns_theta_full        27.64
_diffrn_reflns_theta_max         27.64
_diffrn_reflns_theta_min         1.83
_exptl_absorpt_coefficient_mu    1.416
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6436
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2007)'
_exptl_crystal_density_diffrn    1.416
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1286
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.467
_refine_diff_density_min         -0.286
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     470
_refine_ls_number_reflns         6921
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0214
_refine_ls_R_factor_gt           0.0175
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0238P)²+1.1251P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0427
_refine_ls_wR_factor_ref         0.0442
_reflns_number_gt                6400
_reflns_number_total             6921
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc31227a.txt
_cod_data_source_block           UP431
_cod_original_sg_symbol_H-M      'P 21/m '
_cod_database_code               7107749
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'
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
Dy1 Dy 0.632356(8) 0.2500 0.289914(6) 0.01390(3) Uani 1 2 d S
N1 N 0.59521(10) 0.16864(6) 0.15098(8) 0.0170(2) Uani 1 1 d .
N2 N 0.45444(10) 0.16855(7) 0.26382(8) 0.0178(2) Uani 1 1 d .
N3 N 0.81734(11) 0.17565(7) 0.31001(8) 0.0211(2) Uani 1 1 d .
N4 N 0.66057(11) 0.17545(7) 0.43315(8) 0.0212(3) Uani 1 1 d .
C1 C 0.57955(13) 0.09781(8) 0.18991(10) 0.0203(3) Uani 1 1 d .
C2 C 0.64276(15) 0.03190(9) 0.18169(13) 0.0296(3) Uani 1 1 d .
H2 H 0.6947 0.0320 0.1434 0.039 Uiso 1 1 calc R
C3 C 0.62977(16) -0.03331(9) 0.22910(15) 0.0389(4) Uani 1 1 d .
H3 H 0.6706 -0.0771 0.2212 0.052 Uiso 1 1 calc R
C4 C 0.55549(16) -0.03352(9) 0.28875(15) 0.0389(4) Uani 1 1 d .
H4 H 0.5470 -0.0774 0.3211 0.052 Uiso 1 1 calc R
C5 C 0.49424(14) 0.03137(9) 0.30003(13) 0.0304(4) Uani 1 1 d .
H5 H 0.4462 0.0309 0.3413 0.040 Uiso 1 1 calc R
C6 C 0.50295(13) 0.09787(8) 0.25066(10) 0.0207(3) Uani 1 1 d .
C7 C 0.34251(13) 0.17842(9) 0.26879(10) 0.0212(3) Uani 1 1 d .
C8 C 0.29361(18) 0.2500 0.27621(15) 0.0223(4) Uani 1 2 d S
H8 H 0.2184 0.2500 0.2876 0.030 Uiso 1 2 calc SR
C9 C 0.59560(13) 0.17827(8) 0.06279(10) 0.0212(3) Uani 1 1 d .
C10 C 0.6019(2) 0.2500 0.02394(14) 0.0244(4) Uani 1 2 d S
H10 H 0.6116 0.2500 -0.0364 0.032 Uiso 1 2 calc SR
C11 C 0.25504(15) 0.11312(10) 0.25802(15) 0.0375(4) Uani 1 1 d .
H11a H 0.2760 0.0746 0.2195 0.056 Uiso 1 1 calc R
H11b H 0.1751 0.1308 0.2290 0.056 Uiso 1 1 calc R
H11c H 0.2585 0.0925 0.3187 0.056 Uiso 1 1 calc R
C12 C 0.57923(18) 0.11258(10) -0.00594(12) 0.0362(4) Uani 1 1 d .
H12a H 0.6560 0.0902 -0.0025 0.054 Uiso 1 1 calc R
H12b H 0.5441 0.1308 -0.0685 0.054 Uiso 1 1 calc R
H12c H 0.5273 0.0754 0.0097 0.054 Uiso 1 1 calc R
C13 C 0.86452(14) 0.11717(10) 0.36222(11) 0.0293(3) Uani 1 1 d .
C14 C 0.81356(16) 0.08521(10) 0.42926(12) 0.0331(4) Uani 1 1 d .
H14 H 0.8460 0.0390 0.4537 0.044 Uiso 1 1 calc R
C15 C 0.72091(15) 0.11276(10) 0.46471(11) 0.0282(3) Uani 1 1 d .
C16 C 0.57557(13) 0.20949(9) 0.47271(10) 0.0227(3) Uani 1 1 d .
C17 C 0.48424(15) 0.17175(10) 0.50027(11) 0.0302(4) Uani 1 1 d .
H17 H 0.4821 0.1191 0.4989 0.040 Uiso 1 1 calc R
C18 C 0.39706(16) 0.21087(11) 0.52946(12) 0.0352(4) Uani 1 1 d .
H18 H 0.3385 0.1845 0.5491 0.047 Uiso 1 1 calc R
C19 C 0.86941(12) 0.20994(9) 0.24440(10) 0.0222(3) Uani 1 1 d .
C20 C 0.90651(14) 0.17156(10) 0.17437(11) 0.0290(3) Uani 1 1 d .
H20 H 0.9048 0.1189 0.1729 0.039 Uiso 1 1 calc R
C21 C 0.94573(15) 0.21090(11) 0.10716(12) 0.0340(4) Uani 1 1 d .
H21 H 0.9721 0.1846 0.0620 0.045 Uiso 1 1 calc R
C22 C 0.98419(19) 0.08333(14) 0.35831(16) 0.0548(6) Uani 1 1 d .
H22a H 0.9710 0.0480 0.3072 0.082 Uiso 1 1 calc R
H22b H 1.0204 0.0576 0.4162 0.082 Uiso 1 1 calc R
H22c H 1.0366 0.1230 0.3491 0.082 Uiso 1 1 calc R
C23 C 0.7008(2) 0.06791(12) 0.54685(13) 0.0451(5) Uani 1 1 d .
H23a H 0.6795 0.1019 0.5903 0.068 Uiso 1 1 calc R
H23b H 0.7731 0.0414 0.5778 0.068 Uiso 1 1 calc R
H23c H 0.6370 0.0321 0.5242 0.068 Uiso 1 1 calc R
K1 K 0.98949(6) 0.73285(3) 0.14525(4) 0.02543(19) Uani 0.50 1 d P
O1 O 0.8057(2) 0.70837(14) 0.24746(16) 0.0353(5) Uani 0.50 1 d P
O2 O 1.0561(2) 0.69606(15) 0.33227(17) 0.0377(6) Uani 0.50 1 d P
C24 C 0.8496(3) 0.6780(2) 0.3393(2) 0.0372(8) Uani 0.50 1 d P
H24a H 0.7946 0.6398 0.3501 0.049 Uiso 0.50 1 calc PR
H24b H 0.8560 0.7177 0.3856 0.049 Uiso 0.50 1 calc PR
C25 C 0.9708(4) 0.6435(2) 0.3480(3) 0.0400(9) Uani 0.50 1 d P
H25a H 1.0008 0.6222 0.4104 0.053 Uiso 0.50 1 calc PR
H25b H 0.9622 0.6024 0.3032 0.053 Uiso 0.50 1 calc PR
C26 C 0.6957(3) 0.7500 0.2372(2) 0.0419(6) Uani 1 2 d S
H26a H 0.6355 0.7170 0.2492 0.063 Uiso 0.50 1 calc PR
H26b H 0.6685 0.7695 0.1745 0.063 Uiso 0.50 1 calc PR
H26c H 0.7097 0.7912 0.2811 0.063 Uiso 0.50 1 calc PR
C27 C 1.0913(3) 0.7500 0.40406(19) 0.0418(6) Uani 1 2 d S
H27a H 1.0269 0.7852 0.4001 0.063 Uiso 0.50 1 calc PR
H27b H 1.1608 0.7766 0.3973 0.063 Uiso 0.50 1 calc PR
H27c H 1.1102 0.7250 0.4639 0.063 Uiso 0.50 1 calc PR
O3 O 1.2261(3) 0.67124(16) 0.1755(2) 0.0372(6) Uani 0.50 1 d PU
C28 C 1.2252(9) 0.5911(7) 0.1927(9) 0.052(3) Uani 0.50 1 d PU
H28a H 1.2000 0.5815 0.2490 0.069 Uiso 0.50 1 calc PR
H28b H 1.3051 0.5703 0.2013 0.069 Uiso 0.50 1 calc PR
C29 C 1.1403(4) 0.5556(2) 0.1107(3) 0.0545(12) Uani 0.50 1 d PU
H29a H 1.1589 0.5714 0.0535 0.073 Uiso 0.50 1 calc PR
H29b H 1.1475 0.5009 0.1153 0.073 Uiso 0.50 1 calc PR
O4 O 1.0210(4) 0.57768(18) 0.1081(2) 0.0405(8) Uani 0.50 1 d PU
C30 C 0.9344(4) 0.5416(2) 0.0344(3) 0.0472(10) Uani 0.50 1 d PU
H30a H 0.9329 0.4878 0.0467 0.063 Uiso 0.50 1 calc PR
H30b H 0.9546 0.5487 -0.0244 0.063 Uiso 0.50 1 calc PR
C31 C 0.8143(5) 0.5755(3) 0.0284(4) 0.0511(13) Uani 0.50 1 d PU
H31a H 0.7527 0.5498 -0.0193 0.068 Uiso 0.50 1 calc PR
H31b H 0.7953 0.5702 0.0880 0.068 Uiso 0.50 1 calc PR
O5 O 0.8184(3) 0.65226(19) 0.00554(19) 0.0367(6) Uani 0.50 1 d PU
C32 C 0.7026(4) 0.6865(3) -0.0144(3) 0.0482(11) Uani 0.50 1 d PU
H32a H 0.6713 0.6828 0.0400 0.064 Uiso 0.50 1 calc PR
H32b H 0.6476 0.6604 -0.0662 0.064 Uiso 0.50 1 calc PR
C33 C 0.7127(4) 0.7683(3) -0.0393(3) 0.0443(18) Uani 0.50 1 d PU
H33a H 0.7531 0.7724 -0.0886 0.059 Uiso 0.50 1 calc PR
H33b H 0.6333 0.7904 -0.0618 0.059 Uiso 0.50 1 calc PR
O6 O 0.7792(2) 0.80700(17) 0.04202(18) 0.0384(6) Uani 0.50 1 d PU
C34 C 0.7872(5) 0.8850(4) 0.0245(5) 0.0534(15) Uani 0.50 1 d PU
H34a H 0.7080 0.9078 0.0114 0.071 Uiso 0.50 1 calc PR
H34b H 0.8173 0.8921 -0.0300 0.071 Uiso 0.50 1 calc PR
C35 C 0.8686(4) 0.9223(2) 0.1067(3) 0.0475(10) Uani 0.50 1 d PU
H35a H 0.8663 0.9768 0.0980 0.063 Uiso 0.50 1 calc PR
H35b H 0.8439 0.9109 0.1628 0.063 Uiso 0.50 1 calc PR
O7 O 0.9865(3) 0.89493(18) 0.1162(3) 0.0339(7) Uani 0.50 1 d PU
C36 C 1.0735(4) 0.93039(19) 0.1901(3) 0.0392(8) Uani 0.50 1 d PU
H36a H 1.0565 0.9202 0.2496 0.052 Uiso 0.50 1 calc PR
H36b H 1.0720 0.9847 0.1806 0.052 Uiso 0.50 1 calc PR
C37 C 1.1938(8) 0.8994(6) 0.1908(7) 0.0380(16) Uani 0.50 1 d PU
H37a H 1.2060 0.9033 0.1287 0.051 Uiso 0.50 1 calc PR
H37b H 1.2566 0.9280 0.2341 0.051 Uiso 0.50 1 calc PR
O8 O 1.1987(2) 0.82354(15) 0.2185(2) 0.0301(5) Uani 0.50 1 d PU
C38 C 1.3086(13) 0.7875(8) 0.2235(10) 0.049(3) Uani 0.50 1 d PU
H38a H 1.3714 0.8134 0.2701 0.065 Uiso 0.50 1 calc PR
H38b H 1.3263 0.7932 0.1635 0.065 Uiso 0.50 1 calc PR
C39 C 1.3137(15) 0.7069(7) 0.2472(9) 0.045(3) Uani 0.50 1 d PU
H39a H 1.3927 0.6866 0.2506 0.060 Uiso 0.50 1 calc PR
H39b H 1.2970 0.6993 0.3073 0.060 Uiso 0.50 1 calc PR
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'
K K 0.2009 0.2494 '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'
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
N4 Dy1 N4 65.27(6) 4_565 .
N4 Dy1 N1 175.76(4) 4_565 .
N4 Dy1 N1 111.37(4) . .
N4 Dy1 N1 111.37(4) 4_565 4_565
N4 Dy1 N1 175.76(4) . 4_565
N1 Dy1 N1 71.84(5) . 4_565
N4 Dy1 N2 111.22(4) 4_565 .
N4 Dy1 N2 74.30(4) . .
N1 Dy1 N2 64.85(4) . .
N1 Dy1 N2 105.26(4) 4_565 .
N4 Dy1 N2 74.30(4) 4_565 4_565
N4 Dy1 N2 111.22(4) . 4_565
N1 Dy1 N2 105.26(4) . 4_565
N1 Dy1 N2 64.85(4) 4_565 4_565
N2 Dy1 N2 71.82(6) . 4_565
N4 Dy1 N3 72.52(4) 4_565 4_565
N4 Dy1 N3 106.02(4) . 4_565
N1 Dy1 N3 111.34(4) . 4_565
N1 Dy1 N3 74.74(4) 4_565 4_565
N2 Dy1 N3 175.68(4) . 4_565
N2 Dy1 N3 111.73(4) 4_565 4_565
N4 Dy1 N3 106.02(4) 4_565 .
N4 Dy1 N3 72.52(4) . .
N1 Dy1 N3 74.74(4) . .
N1 Dy1 N3 111.34(4) 4_565 .
N2 Dy1 N3 111.73(4) . .
N2 Dy1 N3 175.68(4) 4_565 .
N3 Dy1 N3 64.61(6) 4_565 .
C9 N1 C1 123.70(12) . .
C9 N1 Dy1 135.17(10) . .
C1 N1 Dy1 100.97(8) . .
C7 N2 C6 123.81(12) . .
C7 N2 Dy1 134.63(10) . .
C6 N2 Dy1 101.21(8) . .
C13 N3 C19 123.72(13) . .
C13 N3 Dy1 134.32(10) . .
C19 N3 Dy1 101.93(9) . .
C15 N4 C16 124.79(13) . .
C15 N4 Dy1 133.70(10) . .
C16 N4 Dy1 100.77(8) . .
C2 C1 N1 125.17(14) . .
C2 C1 C6 119.03(14) . .
N1 C1 C6 115.39(12) . .
C3 C2 C1 121.36(16) . .
C2 C3 C4 119.85(16) . .
C5 C4 C3 120.02(15) . .
C4 C5 C6 121.41(16) . .
C5 C6 N2 125.83(14) . .
C5 C6 C1 118.30(14) . .
N2 C6 C1 115.38(12) . .
N2 C7 C8 122.87(14) . .
N2 C7 C11 121.84(14) . .
C8 C7 C11 115.08(14) . .
C7 C8 C7 128.92(19) 4_565 .
N1 C9 C10 122.53(14) . .
N1 C9 C12 122.07(14) . .
C10 C9 C12 115.23(14) . .
C9 C10 C9 129.41(19) 4_565 .
N3 C13 C14 123.01(14) . .
N3 C13 C22 121.45(15) . .
C14 C13 C22 115.40(15) . .
C15 C14 C13 129.43(15) . .
N4 C15 C14 122.75(14) . .
N4 C15 C23 122.50(15) . .
C14 C15 C23 114.62(14) . .
C17 C16 N4 125.76(15) . .
C17 C16 C16 118.45(10) . 4_565
N4 C16 C16 115.29(8) . 4_565
C18 C17 C16 121.58(16) . .
C18 C18 C17 119.95(11) 4_565 .
C20 C19 N3 125.14(15) . .
C20 C19 C19 118.97(10) . 4_565
N3 C19 C19 115.43(8) . 4_565
C21 C20 C19 120.93(16) . .
C21 C21 C20 120.08(10) 4_565 .
K1 K1 O7 169.40(9) 4_575 4_575
K1 K1 O8 112.82(6) 4_575 4_575
O7 K1 O8 70.28(11) 4_575 4_575
K1 K1 O6 105.75(7) 4_575 4_575
O7 K1 O6 70.03(11) 4_575 4_575
O8 K1 O6 140.22(9) 4_575 4_575
K1 K1 O2 103.70(6) 4_575 .
O7 K1 O2 86.69(11) 4_575 .
O8 K1 O2 60.50(9) 4_575 .
O6 K1 O2 119.49(8) 4_575 .
K1 K1 O6 62.31(6) 4_575 .
O7 K1 O6 112.83(11) 4_575 .
O8 K1 O6 169.77(9) 4_575 .
O6 K1 O6 43.44(13) 4_575 .
O2 K1 O6 128.47(8) . .
K1 K1 O5 120.22(7) 4_575 .
O7 K1 O5 52.84(11) 4_575 .
O8 K1 O5 120.35(9) 4_575 .
O6 K1 O5 22.25(8) 4_575 .
O2 K1 O5 124.63(8) . .
O6 K1 O5 60.53(9) . .
K1 K1 O4 164.93(8) 4_575 .
O7 K1 O4 8.41(13) 4_575 .
O8 K1 O4 63.35(10) 4_575 .
O6 K1 O4 76.87(10) 4_575 .
O2 K1 O4 87.20(9) . .
O6 K1 O4 118.74(10) . .
O5 K1 O4 58.22(10) . .
K1 K1 O8 55.91(6) 4_575 .
O7 K1 O8 126.19(10) 4_575 .
O8 K1 O8 56.92(11) 4_575 .
O6 K1 O8 159.58(9) 4_575 .
O2 K1 O8 76.87(8) . .
O6 K1 O8 117.50(8) . .
O5 K1 O8 155.72(9) . .
O4 K1 O8 118.35(10) . .
K1 K1 O3 112.34(6) 4_575 .
O7 K1 O3 67.74(10) 4_575 .
O8 K1 O3 15.51(7) 4_575 .
O6 K1 O3 133.77(9) 4_575 .
O2 K1 O3 75.97(9) . .
O6 K1 O3 155.22(9) . .
O5 K1 O3 111.83(9) . .
O4 K1 O3 59.73(10) . .
O8 K1 O3 58.65(7) . .
K1 K1 O7 8.39(7) 4_575 .
O7 K1 O7 161.01(16) 4_575 .
O8 K1 O7 114.75(9) 4_575 .
O6 K1 O7 102.08(10) 4_575 .
O2 K1 O7 111.92(9) . .
O6 K1 O7 59.05(9) . .
O5 K1 O7 114.29(10) . .
O4 K1 O7 157.44(8) . .
O8 K1 O7 58.45(9) . .
O3 K1 O7 111.83(9) . .
K1 K1 O2 64.77(5) 4_575 4_575
O7 K1 O2 125.59(11) 4_575 4_575
O8 K1 O2 78.02(8) 4_575 4_575
O6 K1 O2 129.34(8) 4_575 4_575
O2 K1 O2 38.93(11) . 4_575
O6 K1 O2 106.18(8) . 4_575
O5 K1 O2 148.72(8) . 4_575
O4 K1 O2 125.39(9) . 4_575
O8 K1 O2 54.97(8) . 4_575
O3 K1 O2 91.15(8) . 4_575
O7 K1 O2 73.00(9) . 4_575
C24 O1 C26 111.7(2) . .
C24 O1 O1 112.20(19) . 4_575
C26 O1 O1 59.32(12) . 4_575
C24 O1 K1 115.2(2) . .
C26 O1 K1 127.44(16) . .
O1 O1 K1 81.58(5) 4_575 .
C24 O1 K1 118.6(2) . 4_575
C26 O1 K1 118.64(15) . 4_575
O1 O1 K1 70.44(5) 4_575 4_575
K1 O1 K1 11.14(2) . 4_575
C27 O2 C25 113.1(3) . .
C27 O2 K1 123.24(17) . .
C25 O2 K1 107.7(2) . .
C27 O2 K1 111.76(16) . 4_575
C25 O2 K1 114.7(2) . 4_575
K1 O2 K1 11.53(2) . 4_575
O1 C24 C25 108.6(3) . .
O2 C25 C24 113.2(3) . .
O2 C25 K1 49.26(15) . .
C24 C25 K1 90.9(2) . .
O8 O3 C38 83.4(7) 4_575 4_575
O8 O3 C37 77.4(5) 4_575 4_575
C38 O3 C37 130.4(8) 4_575 4_575
O8 O3 C39 72.7(7) 4_575 .
C38 O3 C39 13.9(11) 4_575 .
C37 O3 C39 117.9(7) 4_575 .
O8 O3 C28 87.0(6) 4_575 .
C38 O3 C28 120.7(8) 4_575 .
C37 O3 C28 15.8(6) 4_575 .
C39 O3 C28 110.3(7) . .
O8 O3 K1 60.5(3) 4_575 .
C38 O3 K1 114.5(7) 4_575 .
C37 O3 K1 94.7(4) 4_575 .
C39 O3 K1 114.2(6) . .
C28 O3 K1 110.4(4) . .
O8 O3 K1 61.9(3) 4_575 4_575
C38 O3 K1 105.4(7) 4_575 4_575
C37 O3 K1 104.8(4) 4_575 4_575
C39 O3 K1 106.7(6) . 4_575
C28 O3 K1 120.5(4) . 4_575
K1 O3 K1 10.27(2) . 4_575
O3 C28 C29 107.9(7) . .
O4 C29 C28 109.1(5) . .
O7 O4 C36 93.9(6) 4_575 4_575
O7 O4 C30 97.6(6) 4_575 .
C36 O4 C30 141.0(4) 4_575 .
O7 O4 C29 145.8(7) 4_575 .
C36 O4 C29 73.9(3) 4_575 .
C30 O4 C29 112.0(3) . .
O7 O4 C35 49.2(5) 4_575 4_575
C36 O4 C35 103.9(4) 4_575 4_575
C30 O4 C35 59.6(3) . 4_575
C29 O4 C35 164.0(3) . 4_575
O7 O4 K1 30.6(5) 4_575 .
C36 O4 K1 88.6(2) 4_575 .
C30 O4 K1 118.8(3) . .
C29 O4 K1 115.7(3) . .
C35 O4 K1 79.69(18) 4_575 .
O7 O4 K1 32.6(5) 4_575 4_575
C36 O4 K1 90.0(2) 4_575 4_575
C30 O4 K1 118.6(3) . 4_575
C29 O4 K1 114.1(3) . 4_575
C35 O4 K1 81.48(18) 4_575 4_575
K1 O4 K1 2.634(15) . 4_575
O4 C30 C31 108.5(3) . .
O5 C31 C30 108.1(4) . .
C34 O5 O6 94.6(5) 4_575 4_575
C34 O5 C31 27.1(5) 4_575 .
O6 O5 C31 118.8(4) 4_575 .
C34 O5 C32 86.4(5) 4_575 .
O6 O5 C32 47.0(2) 4_575 .
C31 O5 C32 111.7(4) . .
C34 O5 C33 114.4(5) 4_575 4_575
O6 O5 C33 49.2(2) 4_575 4_575
C31 O5 C33 138.9(4) . 4_575
C32 O5 C33 28.0(2) . 4_575
C34 O5 K1 115.5(5) 4_575 .
O6 O5 K1 66.4(2) 4_575 .
C31 O5 K1 111.9(3) . .
C32 O5 K1 111.7(3) . .
C33 O5 K1 98.20(19) 4_575 .
C34 O5 K1 122.3(5) 4_575 4_575
O6 O5 K1 61.1(2) 4_575 4_575
C31 O5 K1 121.1(3) . 4_575
C32 O5 K1 104.3(3) . 4_575
C33 O5 K1 89.03(18) 4_575 4_575
K1 O5 K1 9.49(2) . 4_575
O5 C32 C33 109.1(3) . .
O6 C33 C32 108.4(3) . .
C32 O6 O5 84.6(4) 4_575 4_575
C32 O6 C34 80.2(4) 4_575 .
O5 O6 C34 36.2(3) 4_575 .
C32 O6 C33 39.4(3) 4_575 .
O5 O6 C33 95.8(3) 4_575 .
C34 O6 C33 111.3(4) . .
C32 O6 C33 55.8(4) 4_575 4_575
O5 O6 C33 108.5(3) 4_575 4_575
C34 O6 C33 129.0(4) . 4_575
C33 O6 C33 18.1(3) . 4_575
C32 O6 K1 162.9(4) 4_575 4_575
O5 O6 K1 91.3(2) 4_575 4_575
C34 O6 K1 106.0(3) . 4_575
C33 O6 K1 125.2(3) . 4_575
C33 O6 K1 110.62(18) 4_575 4_575
C32 O6 K1 154.6(4) 4_575 .
O5 O6 K1 99.5(2) 4_575 .
C34 O6 K1 117.7(3) . .
C33 O6 K1 115.2(3) . .
C33 O6 K1 99.60(18) 4_575 .
K1 O6 K1 11.94(2) 4_575 .
O6 C34 C35 110.1(4) . .
O7 C35 C34 108.0(4) . .
O4 O7 C35 110.2(6) 4_575 .
O4 O7 C36 58.5(5) 4_575 .
C35 O7 C36 112.8(3) . .
O4 O7 C30 58.9(5) 4_575 4_575
C35 O7 C30 62.8(3) . 4_575
C36 O7 C30 108.1(3) . 4_575
O4 O7 K1 141.0(6) 4_575 4_575
C35 O7 K1 108.7(2) . 4_575
C36 O7 K1 108.6(2) . 4_575
C30 O7 K1 142.6(3) 4_575 4_575
O4 O7 K1 140.4(6) 4_575 .
C35 O7 K1 109.0(2) . .
C36 O7 K1 110.2(2) . .
C30 O7 K1 140.6(2) 4_575 .
K1 O7 K1 2.207(19) 4_575 .
O7 C36 C37 107.9(4) . .
O8 C37 C36 108.5(5) . .
O3 O8 C39 74.5(7) 4_575 4_575
O3 O8 C37 69.2(5) 4_575 .
C39 O8 C37 114.9(7) 4_575 .
O3 O8 C38 62.7(6) 4_575 .
C39 O8 C38 14.5(10) 4_575 .
C37 O8 C38 114.5(7) . .
O3 O8 C28 63.5(6) 4_575 4_575
C39 O8 C28 102.0(7) 4_575 4_575
C37 O8 C28 12.8(7) . 4_575
C38 O8 C28 102.1(7) . 4_575
O3 O8 K1 104.0(3) 4_575 4_575
C39 O8 K1 133.8(6) 4_575 4_575
C37 O8 K1 106.8(4) . 4_575
C38 O8 K1 125.5(6) . 4_575
C28 O8 K1 118.8(4) 4_575 4_575
O3 O8 K1 104.0(3) 4_575 .
C39 O8 K1 122.7(6) 4_575 .
C37 O8 K1 117.6(4) . .
C38 O8 K1 115.2(6) . .
C28 O8 K1 129.2(4) 4_575 .
K1 O8 K1 11.27(2) 4_575 .
O8 C38 C39 115.5(16) . .
O3 C39 C38 106.4(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 N4 2.4423(12) 4_565
Dy1 N4 2.4423(12) .
Dy1 N1 2.4503(11) .
Dy1 N1 2.4503(11) 4_565
Dy1 N2 2.4534(12) .
Dy1 N2 2.4534(12) 4_565
Dy1 N3 2.4581(12) 4_565
Dy1 N3 2.4581(12) .
N1 C9 1.3182(18) .
N1 C1 1.4097(18) .
N2 C7 1.3273(18) .
N2 C6 1.4041(18) .
N3 C13 1.317(2) .
N3 C19 1.4107(19) .
N4 C15 1.325(2) .
N4 C16 1.4079(19) .
C1 C2 1.398(2) .
C1 C6 1.423(2) .
C2 C3 1.379(2) .
C3 C4 1.389(3) .
C4 C5 1.381(2) .
C5 C6 1.402(2) .
C7 C8 1.4017(17) .
C7 C11 1.514(2) .
C8 C7 1.4017(17) 4_565
C9 C10 1.4018(17) .
C9 C12 1.521(2) .
C10 C9 1.4018(17) 4_565
C13 C14 1.403(2) .
C13 C22 1.523(2) .
C14 C15 1.402(2) .
C15 C23 1.521(2) .
C16 C17 1.400(2) .
C16 C16 1.432(3) 4_565
C17 C18 1.384(2) .
C18 C18 1.383(4) 4_565
C19 C20 1.400(2) .
C19 C19 1.415(3) 4_565
C20 C21 1.387(2) .
C21 C21 1.382(4) 4_565
K1 K1 0.6062(11) 4_575
K1 O7 2.297(3) 4_575
K1 O8 2.568(3) 4_575
K1 O6 2.594(3) 4_575
K1 O2 2.744(3) .
K1 O6 2.819(3) .
K1 O5 2.829(3) .
K1 O4 2.839(3) .
K1 O8 2.859(3) .
K1 O3 2.864(3) .
K1 O7 2.895(3) .
K1 O2 2.947(3) 4_575
O1 C24 1.421(4) .
O1 C26 1.442(3) .
O1 O1 1.471(5) 4_575
O1 K1 3.102(2) 4_575
O2 C27 1.403(3) .
O2 C25 1.419(4) .
O2 K1 2.947(3) 4_575
C24 C25 1.501(6) .
O3 O8 0.789(3) 4_575
O3 C38 1.257(15) 4_575
O3 C37 1.339(13) 4_575
O3 C39 1.403(14) .
O3 C28 1.439(12) .
O3 K1 3.145(3) 4_575
C28 C29 1.479(12) .
C29 O4 1.423(6) .
O4 O7 0.659(3) 4_575
O4 C36 1.210(5) 4_575
O4 C30 1.416(5) .
O4 C35 1.757(6) 4_575
O4 K1 3.428(3) 4_575
C30 C31 1.492(8) .
C31 O5 1.402(6) .
O5 C34 0.835(7) 4_575
O5 O6 1.071(4) 4_575
O5 C32 1.425(6) .
O5 C33 1.861(6) 4_575
O5 K1 3.177(3) 4_575
C32 C33 1.504(8) .
C33 O6 1.417(5) .
O6 C32 1.046(5) 4_575
O6 O5 1.071(4) 4_575
O6 C34 1.411(6) .
O6 C33 1.819(5) 4_575
O6 K1 2.594(3) 4_575
C34 C35 1.477(8) .
C35 O7 1.416(5) .
O7 O4 0.659(3) 4_575
O7 C36 1.417(5) .
O7 C30 1.640(5) 4_575
O7 K1 2.297(3) 4_575
C36 C37 1.493(12) .
C37 O8 1.398(12) .
O8 O3 0.789(3) 4_575
O8 C39 1.390(16) 4_575
O8 C38 1.405(14) .
O8 C28 1.605(11) 4_575
O8 K1 2.568(3) 4_575
C38 C39 1.464(8) .
