#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:57:03 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179460 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/57/4335779.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_4335779
loop_
_publ_author_name
'Silvia Titos-Padilla'
'José Ruiz'
'Juan Manuel Herrera'
'Euan K. Brechin'
'Wolfgang Wersndorfer'
'Francesc Lloret'
'Enrique Colacio'
_publ_section_title
;
 Dilution-Triggered SMM Behavior under Zero Field in a Luminescent Zn2Dy2
 Tetranuclear Complex Incorporating Carbonato-Bridging Ligands Derived
 from Atmospheric CO2 Fixation
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9620
_journal_page_last               9626
_journal_paper_doi               10.1021/ic401378k
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C56 H90 Dy2 N8 O24 Zn2'
_chemical_formula_weight         1715.10
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                111.000(5)
_cell_angle_beta                 104.765(5)
_cell_angle_gamma                99.438(5)
_cell_formula_units_Z            1
_cell_length_a                   11.071(5)
_cell_length_b                   12.333(5)
_cell_length_c                   14.188(5)
_cell_measurement_reflns_used    9986
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.230
_cell_measurement_theta_min      2.295
_cell_volume                     1677.4(12)
_computing_cell_refinement       'Bruker smart'
_computing_data_collection       'Bruker smart'
_computing_data_reduction        'Bruker smart'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker Axs APEX automatic diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0285
_diffrn_reflns_av_sigmaI/netI    0.0269
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16626
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    2.990
_exptl_absorpt_correction_T_max  0.5054
_exptl_absorpt_correction_T_min  0.4256
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Bruker SADABS (Bruker, 1999)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.698
_exptl_crystal_description       Prismatic
_exptl_crystal_F_000             866
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.103
_refine_diff_density_min         -0.657
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     436
_refine_ls_number_reflns         5862
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0312
_refine_ls_R_factor_gt           0.0287
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0364P)²+2.2329P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0704
_refine_ls_wR_factor_ref         0.0721
_reflns_number_gt                5459
_reflns_number_total             5862
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic401378k_si_003.cif
_cod_data_source_block           ec425
_cod_database_code               4335779
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.12382(4) 0.36065(4) 0.20404(3) 0.02872(11) Uani 1 1 d . A .
Dy1 Dy -0.122399(15) 0.105452(15) 0.004496(13) 0.02667(7) Uani 1 1 d . . .
C1A C -0.1487(4) 0.0393(4) -0.2607(3) 0.0381(10) Uani 1 1 d . . .
H1A1 H -0.1744 0.1015 -0.2796 0.057 Uiso 1 1 calc R . .
H1A2 H -0.2242 -0.0171 -0.2666 0.057 Uiso 1 1 calc R . .
H1A3 H -0.1070 -0.0024 -0.3083 0.057 Uiso 1 1 calc R . .
C3A C 0.0417(4) 0.1944(3) -0.1276(3) 0.0292(8) Uani 1 1 d . . .
C4A C 0.0672(3) 0.2950(3) -0.0317(3) 0.0273(8) Uani 1 1 d . A .
C6A C 0.1623(4) 0.3993(3) -0.0098(3) 0.0333(9) Uani 1 1 d . . .
C7A C 0.2350(4) 0.3965(4) -0.0772(3) 0.0427(11) Uani 1 1 d . . .
H7A H 0.3006 0.4654 -0.0594 0.051 Uiso 1 1 calc R . .
C8A C 0.2129(4) 0.2952(4) -0.1693(3) 0.0409(10) Uani 1 1 d . . .
C9A C 0.2952(4) 0.2930(5) -0.2400(4) 0.0559(13) Uani 1 1 d . . .
H9A1 H 0.3197 0.3716 -0.2394 0.084 Uiso 1 1 calc R . .
H9A2 H 0.2461 0.2345 -0.3121 0.084 Uiso 1 1 calc R . .
H9A3 H 0.3722 0.2714 -0.2132 0.084 Uiso 1 1 calc R . .
C10A C 0.1124(4) 0.1936(4) -0.1951(3) 0.0343(9) Uani 1 1 d . . .
H10A H 0.0928 0.1248 -0.2583 0.041 Uiso 1 1 calc R . .
C11A C 0.1736(4) 0.5138(4) 0.0822(3) 0.0404(10) Uani 1 1 d . . .
H11A H 0.2252 0.5817 0.0772 0.048 Uiso 1 1 calc R . .
H11B H 0.0873 0.5242 0.0756 0.048 Uiso 1 1 calc R . .
C13A C 0.3742(4) 0.5249(4) 0.2075(3) 0.0418(10) Uani 1 1 d . . .
H13A H 0.4160 0.5970 0.2036 0.063 Uiso 1 1 calc R . .
H13B H 0.3819 0.4553 0.1531 0.063 Uiso 1 1 calc R . .
H13C H 0.4150 0.5276 0.2770 0.063 Uiso 1 1 calc R . .
C14A C 0.2203(5) 0.6256(4) 0.2706(4) 0.0513(12) Uani 1 1 d . . .
H14A H 0.2456 0.6947 0.2552 0.062 Uiso 1 1 calc R . .
H14B H 0.2781 0.6422 0.3414 0.062 Uiso 1 1 calc R . .
C15A C 0.0812(5) 0.6082(4) 0.2701(4) 0.0537(12) Uani 1 1 d . A .
H15A H 0.0780 0.6767 0.3296 0.064 Uiso 1 1 calc R . .
H15B H 0.0264 0.6070 0.2042 0.064 Uiso 1 1 calc R . .
C17A C -0.1127(6) 0.4522(6) 0.2235(7) 0.088(2) Uani 1 1 d . A .
H17A H -0.1463 0.3765 0.2255 0.133 Uiso 1 1 calc R . .
H17B H -0.1315 0.4410 0.1502 0.133 Uiso 1 1 calc R . .
H17C H -0.1527 0.5106 0.2585 0.133 Uiso 1 1 calc R . .
C18A C 0.1151(12) 0.5665(10) 0.4097(8) 0.044(4) Uani 0.401(12) 1 d P A 1
H18A H 0.1904 0.6294 0.4223 0.053 Uiso 0.401(12) 1 calc PR A 1
H18B H 0.0624 0.6039 0.4495 0.053 Uiso 0.401(12) 1 calc PR A 1
C18B C 0.0296(7) 0.4879(7) 0.3801(5) 0.037(2) Uani 0.599(12) 1 d P A 2
H18C H 0.0064 0.5568 0.4232 0.044 Uiso 0.599(12) 1 calc PR A 2
H18D H -0.0364 0.4152 0.3640 0.044 Uiso 0.599(12) 1 calc PR A 2
C19A C 0.1528(6) 0.4852(5) 0.4417(4) 0.0620(14) Uani 1 1 d . . .
H19A H 0.0778 0.4396 0.4484 0.074 Uiso 1 1 calc R A 1
H19B H 0.2164 0.5295 0.5135 0.074 Uiso 1 1 calc R A 1
C21A C 0.3521(4) 0.4447(4) 0.4232(3) 0.0503(12) Uani 1 1 d . . .
H21A H 0.3767 0.5237 0.4245 0.075 Uiso 1 1 calc R A .
H21B H 0.3885 0.3914 0.3780 0.075 Uiso 1 1 calc R . .
H21C H 0.3843 0.4500 0.4947 0.075 Uiso 1 1 calc R . .
C22A C 0.1796(4) 0.2823(4) 0.3928(3) 0.0350(9) Uani 1 1 d . . .
H22A H 0.2237 0.2995 0.4673 0.042 Uiso 1 1 calc R A .
H22B H 0.2182 0.2276 0.3499 0.042 Uiso 1 1 calc R . .
C23A C 0.0389(4) 0.2161(3) 0.3630(3) 0.0325(8) Uani 1 1 d . A .
C24A C -0.0469(4) 0.1758(3) 0.2590(3) 0.0272(8) Uani 1 1 d . . .
C26A C -0.1684(4) 0.0928(3) 0.2290(3) 0.0275(8) Uani 1 1 d . A .
C28A C -0.3628(4) -0.0419(4) 0.0833(3) 0.0358(9) Uani 1 1 d . A .
H28A H -0.3507 -0.1119 0.0952 0.054 Uiso 1 1 calc R . .
H28B H -0.4043 -0.0654 0.0080 0.054 Uiso 1 1 calc R . .
H28C H -0.4165 -0.0066 0.1218 0.054 Uiso 1 1 calc R . .
C29A C -0.2087(4) 0.0614(3) 0.3025(3) 0.0330(9) Uani 1 1 d . . .
H29A H -0.2914 0.0098 0.2815 0.040 Uiso 1 1 calc R A .
C30A C -0.1250(4) 0.1072(4) 0.4082(3) 0.0394(10) Uani 1 1 d . A .
C31A C -0.1699(5) 0.0726(5) 0.4889(3) 0.0537(13) Uani 1 1 d . . .
H31A H -0.0965 0.0954 0.5524 0.081 Uiso 1 1 calc R A .
H31B H -0.2090 -0.0133 0.4580 0.081 Uiso 1 1 calc R . .
H31C H -0.2326 0.1138 0.5073 0.081 Uiso 1 1 calc R . .
C32A C -0.0025(4) 0.1815(4) 0.4361(3) 0.0405(10) Uani 1 1 d . . .
H32A H 0.0548 0.2097 0.5059 0.049 Uiso 1 1 calc R A .
N12A N 0.2336(3) 0.5167(3) 0.1900(3) 0.0347(7) Uani 1 1 d . . .
N16A N 0.0286(4) 0.4958(4) 0.2789(3) 0.0543(11) Uani 1 1 d . . .
N20A N 0.2086(3) 0.3970(3) 0.3806(3) 0.0360(8) Uani 1 1 d . A .
O2A O -0.0587(2) 0.0936(2) -0.15112(19) 0.0294(6) Uani 1 1 d . . .
O5A O 0.0020(2) 0.2926(2) 0.03637(18) 0.0270(5) Uani 1 1 d . . .
O25A O -0.0177(2) 0.2091(2) 0.18520(19) 0.0299(6) Uani 1 1 d . A .
O27A O -0.2379(2) 0.0455(2) 0.1208(2) 0.0318(6) Uani 1 1 d . . .
N1B N -0.3344(3) 0.2088(3) -0.0583(3) 0.0419(9) Uani 1 1 d . . .
O1B O -0.2745(3) 0.1690(2) -0.1213(2) 0.0382(7) Uani 1 1 d . A .
O2B O -0.3011(3) 0.1958(4) 0.0288(3) 0.0571(9) Uani 1 1 d . A .
O3B O -0.4199(3) 0.2574(3) -0.0780(3) 0.0572(9) Uani 1 1 d . A .
C1C C -0.2116(3) -0.1465(3) -0.1143(3) 0.0284(8) Uani 1 1 d . . .
O1C O 0.2486(2) 0.2588(2) 0.1732(2) 0.0304(6) Uani 1 1 d . . .
O2C O 0.0988(2) 0.0914(2) 0.03817(19) 0.0279(5) Uani 1 1 d . . .
O3C O -0.2844(2) -0.0764(2) -0.1251(2) 0.0299(6) Uani 1 1 d . A .
C1M C -0.5891(5) -0.2711(5) -0.2573(4) 0.0549(12) Uani 1 1 d . . .
H1M1 H -0.5528 -0.3384 -0.2710 0.082 Uiso 1 1 calc R . .
H1M2 H -0.6787 -0.2982 -0.3027 0.082 Uiso 1 1 calc R . .
H1M3 H -0.5836 -0.2374 -0.1835 0.082 Uiso 1 1 calc R . .
O1M O -0.5178(3) -0.1806(3) -0.2793(3) 0.0532(8) Uani 1 1 d . . .
H1M H -0.4688 -0.2083 -0.3097 0.080 Uiso 1 1 calc R . .
C2M C -0.4718(6) -0.1558(5) -0.5043(5) 0.0728(17) Uani 1 1 d . . .
H2M1 H -0.4667 -0.0770 -0.4539 0.109 Uiso 1 1 calc R . .
H2M2 H -0.5084 -0.1631 -0.5760 0.109 Uiso 1 1 calc R . .
H2M3 H -0.3861 -0.1664 -0.4932 0.109 Uiso 1 1 calc R . .
O2M O -0.5499(5) -0.2434(4) -0.4894(3) 0.1071(19) Uani 1 1 d . . .
H2M H -0.5423 -0.2195 -0.4257 0.161 Uiso 1 1 calc R . .
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'
Zn Zn 0.2839 1.4301 '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
O1C Zn1 O25A 91.24(11) . .
O1C Zn1 O5A 94.81(10) . .
O25A Zn1 O5A 77.82(9) . .
O1C Zn1 N12A 95.35(12) . .
O25A Zn1 N12A 165.96(10) . .
O5A Zn1 N12A 89.26(10) . .
O1C Zn1 N16A 165.09(13) . .
O25A Zn1 N16A 95.11(14) . .
O5A Zn1 N16A 99.71(12) . .
N12A Zn1 N16A 81.52(15) . .
O1C Zn1 N20A 88.15(11) . .
O25A Zn1 N20A 87.53(10) . .
O5A Zn1 N20A 165.10(10) . .
N12A Zn1 N20A 105.02(12) . .
N16A Zn1 N20A 78.69(13) . .
O1C Zn1 Dy1 85.96(8) . .
O25A Zn1 Dy1 39.03(7) . .
O5A Zn1 Dy1 40.14(6) . .
N12A Zn1 Dy1 129.07(9) . .
N16A Zn1 Dy1 107.39(13) . .
N20A Zn1 Dy1 125.90(8) . .
O25A Dy1 O5A 72.09(8) . .
O25A Dy1 O2C 105.42(9) . 2
O5A Dy1 O2C 137.19(9) . 2
O25A Dy1 O3C 141.31(8) . .
O5A Dy1 O3C 146.04(8) . .
O2C Dy1 O3C 54.91(9) 2 .
O25A Dy1 O2C 73.58(9) . .
O5A Dy1 O2C 74.59(8) . .
O2C Dy1 O2C 64.28(9) 2 .
O3C Dy1 O2C 114.59(9) . .
O25A Dy1 O2A 133.10(9) . .
O5A Dy1 O2A 69.86(8) . .
O2C Dy1 O2A 85.36(8) 2 .
O3C Dy1 O2A 82.21(8) . .
O2C Dy1 O2A 70.72(8) . .
O25A Dy1 O2B 87.68(11) . .
O5A Dy1 O2B 88.56(11) . .
O2C Dy1 O2B 134.22(10) 2 .
O3C Dy1 O2B 87.47(12) . .
O2C Dy1 O2B 157.80(11) . .
O2A Dy1 O2B 117.35(9) . .
O25A Dy1 O1B 128.07(10) . .
O5A Dy1 O1B 77.13(9) . .
O2C Dy1 O1B 125.36(9) 2 .
O3C Dy1 O1B 74.45(9) . .
O2C Dy1 O1B 135.32(9) . .
O2A Dy1 O1B 67.37(9) . .
O2B Dy1 O1B 50.40(10) . .
O25A Dy1 O27A 64.82(8) . .
O5A Dy1 O27A 129.42(8) . .
O2C Dy1 O27A 80.92(9) 2 .
O3C Dy1 O27A 78.39(8) . .
O2C Dy1 O27A 114.84(8) . .
O2A Dy1 O27A 160.34(8) . .
O2B Dy1 O27A 65.18(9) . .
O1B Dy1 O27A 109.84(9) . .
O25A Dy1 C1C 127.25(9) . .
O5A Dy1 C1C 150.27(10) . .
O2C Dy1 C1C 27.54(9) 2 .
O3C Dy1 C1C 27.44(9) . .
O2C Dy1 C1C 88.89(10) . .
O2A Dy1 C1C 81.49(9) . .
O2B Dy1 C1C 112.30(12) . .
O1B Dy1 C1C 99.49(10) . .
O27A Dy1 C1C 79.83(9) . .
O25A Dy1 N1B 108.15(10) . .
O5A Dy1 N1B 81.33(9) . .
O2C Dy1 N1B 135.62(9) 2 .
O3C Dy1 N1B 80.82(10) . .
O2C Dy1 N1B 154.07(8) . .
O2A Dy1 N1B 92.21(10) . .
O2B Dy1 N1B 25.27(10) . .
O1B Dy1 N1B 25.15(9) . .
O27A Dy1 N1B 87.87(9) . .
C1C Dy1 N1B 108.26(11) . .
O25A Dy1 Zn1 35.79(6) . .
O5A Dy1 Zn1 37.50(6) . .
O2C Dy1 Zn1 121.54(6) 2 .
O3C Dy1 Zn1 176.02(6) . .
O2C Dy1 Zn1 63.04(6) . .
O2A Dy1 Zn1 99.59(6) . .
O2B Dy1 Zn1 94.79(10) . .
O1B Dy1 Zn1 109.51(7) . .
O27A Dy1 Zn1 99.57(6) . .
C1C Dy1 Zn1 149.08(7) . .
N1B Dy1 Zn1 102.59(8) . .
C10A C3A C4A 122.1(3) . .
C10A C3A O2A 121.6(3) . .
C4A C3A O2A 116.2(3) . .
O5A C4A C3A 121.6(3) . .
O5A C4A C6A 121.3(3) . .
C3A C4A C6A 117.0(3) . .
C7A C6A C4A 120.1(4) . .
C7A C6A C11A 122.4(4) . .
C4A C6A C11A 117.3(4) . .
C8A C7A C6A 122.3(4) . .
C7A C8A C10A 117.7(4) . .
C7A C8A C9A 121.4(4) . .
C10A C8A C9A 120.8(4) . .
C3A C10A C8A 120.5(4) . .
N12A C11A C6A 114.2(3) . .
N12A C14A C15A 111.1(3) . .
N16A C15A C14A 113.1(4) . .
C19A C18A N16A 108.0(7) . .
C19A C18B N16A 113.5(5) . .
C18A C19A C18B 47.0(6) . .
C18A C19A N20A 121.7(6) . .
C18B C19A N20A 114.3(4) . .
N20A C22A C23A 118.0(3) . .
C24A C23A C32A 119.1(4) . .
C24A C23A C22A 120.5(3) . .
C32A C23A C22A 120.0(3) . .
O25A C24A C23A 123.2(3) . .
O25A C24A C26A 118.7(3) . .
C23A C24A C26A 118.1(3) . .
O27A C26A C29A 124.9(3) . .
O27A C26A C24A 113.3(3) . .
C29A C26A C24A 121.8(3) . .
C26A C29A C30A 119.7(4) . .
C32A C30A C29A 118.6(3) . .
C32A C30A C31A 121.8(4) . .
C29A C30A C31A 119.5(4) . .
C30A C32A C23A 122.3(4) . .
C14A N12A C11A 107.6(3) . .
C14A N12A C13A 110.1(3) . .
C11A N12A C13A 108.1(3) . .
C14A N12A Zn1 106.1(3) . .
C11A N12A Zn1 110.3(2) . .
C13A N12A Zn1 114.5(2) . .
C17A N16A C18B 97.8(5) . .
C17A N16A C15A 109.4(4) . .
C18B N16A C15A 124.6(5) . .
C17A N16A C18A 130.4(6) . .
C18B N16A C18A 40.6(4) . .
C15A N16A C18A 87.5(5) . .
C17A N16A Zn1 110.6(4) . .
C18B N16A Zn1 105.9(3) . .
C15A N16A Zn1 107.9(3) . .
C18A N16A Zn1 107.4(5) . .
C19A N20A C21A 109.3(4) . .
C19A N20A C22A 111.8(4) . .
C21A N20A C22A 105.6(3) . .
C19A N20A Zn1 108.0(2) . .
C21A N20A Zn1 112.3(2) . .
C22A N20A Zn1 109.8(2) . .
C3A O2A C1A 114.3(3) . .
C3A O2A Dy1 112.6(2) . .
C1A O2A Dy1 124.1(2) . .
C4A O5A Zn1 115.0(2) . .
C4A O5A Dy1 116.6(2) . .
Zn1 O5A Dy1 102.36(9) . .
C24A O25A Zn1 130.5(2) . .
C24A O25A Dy1 124.4(2) . .
Zn1 O25A Dy1 105.18(10) . .
C26A O27A C28A 116.6(3) . .
C26A O27A Dy1 116.5(2) . .
C28A O27A Dy1 126.6(2) . .
O3B N1B O1B 123.0(4) . .
O3B N1B O2B 121.2(4) . .
O1B N1B O2B 115.8(3) . .
O3B N1B Dy1 176.0(3) . .
O1B N1B Dy1 60.02(18) . .
O2B N1B Dy1 55.8(2) . .
N1B O1B Dy1 94.8(2) . .
N1B O2B Dy1 98.9(2) . .
O1C C1C O3C 122.1(3) 2 .
O1C C1C O2C 123.5(3) 2 2
O3C C1C O2C 114.5(3) . 2
O1C C1C Dy1 175.6(3) 2 .
O3C C1C Dy1 57.82(18) . .
O2C C1C Dy1 56.87(18) 2 .
C1C O1C Zn1 123.6(2) 2 .
C1C O2C Dy1 95.6(2) 2 2
C1C O2C Dy1 138.1(2) 2 .
Dy1 O2C Dy1 115.72(9) 2 .
C1C O3C Dy1 94.7(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1C 2.040(3) .
Zn1 O25A 2.118(2) .
Zn1 O5A 2.178(2) .
Zn1 N12A 2.203(3) .
Zn1 N16A 2.213(4) .
Zn1 N20A 2.283(3) .
Zn1 Dy1 3.4954(10) .
Dy1 O25A 2.281(2) .
Dy1 O5A 2.307(2) .
Dy1 O2C 2.359(3) 2
Dy1 O3C 2.381(2) .
Dy1 O2C 2.420(3) .
Dy1 O2A 2.447(3) .
Dy1 O2B 2.463(3) .
Dy1 O1B 2.557(3) .
Dy1 O27A 2.558(2) .
Dy1 C1C 2.804(4) .
Dy1 N1B 2.942(4) .
C1A O2A 1.450(4) .
C3A C10A 1.381(5) .
C3A C4A 1.396(5) .
C3A O2A 1.398(4) .
C4A O5A 1.351(4) .
C4A C6A 1.401(5) .
C6A C7A 1.392(6) .
C6A C11A 1.500(6) .
C7A C8A 1.377(7) .
C8A C10A 1.396(6) .
C8A C9A 1.514(6) .
C11A N12A 1.489(5) .
C13A N12A 1.492(5) .
C14A N12A 1.479(6) .
C14A C15A 1.517(7) .
C15A N16A 1.474(6) .
C17A N16A 1.465(7) .
C18A C19A 1.324(11) .
C18A N16A 1.669(11) .
C18B C19A 1.434(9) .
C18B N16A 1.472(7) .
C19A N20A 1.461(6) .
C21A N20A 1.477(5) .
C22A N20A 1.480(5) .
C22A C23A 1.507(5) .
C23A C24A 1.389(5) .
C23A C32A 1.402(5) .
C24A O25A 1.345(4) .
C24A C26A 1.408(5) .
C26A O27A 1.378(4) .
C26A C29A 1.382(5) .
C28A O27A 1.443(4) .
C29A C30A 1.393(6) .
C30A C32A 1.376(6) .
C30A C31A 1.520(5) .
N1B O3B 1.226(4) .
N1B O1B 1.255(5) .
N1B O2B 1.271(4) .
C1C O1C 1.263(4) 2
C1C O3C 1.297(4) .
C1C O2C 1.303(4) 2
O1C C1C 1.263(4) 2
O2C C1C 1.303(4) 2
O2C Dy1 2.359(3) 2
C1M O1M 1.433(6) .
C2M O2M 1.382(6) .
