#------------------------------------------------------------------------------
#$Date: 2017-01-09 05:36:08 +0200 (Mon, 09 Jan 2017) $
#$Revision: 190196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/07/7040736.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_7040736
loop_
_publ_author_name
'Chakraborty, Amit'
'Goura, Joydeb'
'Bag, Prasenjit'
'Bar, Arun Kumar'
'Sutter, Jean-Pascal'
'Chandrasekhar, Vadapalli'
_publ_section_title
;
 Windmill-shaped octanuclear Zn/Ln (Ln(III) = Dy, Tb, Ho) heterometallic
 ensembles supported by a tetraferrocene scaffold.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17633
_journal_page_last               17643
_journal_paper_doi               10.1039/c6dt03144g
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C120 H100 Dy4 Fe4 N16 O25 Zn4'
_chemical_formula_sum            'C120 H100 Dy4 Fe4 N16 O25 Zn4'
_chemical_formula_weight         3301.12
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-09-11 deposited with the CCDC.
2016-09-26 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 94.362(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   24.5002(17)
_cell_length_b                   10.6328(6)
_cell_length_c                   31.5213(16)
_cell_measurement_reflns_used    9232
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.20
_cell_measurement_theta_min      2.42
_cell_volume                     8187.7(8)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0569
_diffrn_reflns_av_sigmaI/netI    0.0656
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            27569
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.02
_exptl_absorpt_coefficient_mu    2.774
_exptl_absorpt_correction_T_max  0.801
_exptl_absorpt_correction_T_min  0.724
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2.05 (Sheldrick, 2002)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.339
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             3240.0
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_platon_squeeze_details
;
;
_refine_diff_density_max         2.515
_refine_diff_density_min         -0.893
_refine_diff_density_rms         0.134
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.995
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     417
_refine_ls_number_reflns         8042
_refine_ls_number_restraints     306
_refine_ls_restrained_S_all      5.160
_refine_ls_R_factor_all          0.0882
_refine_ls_R_factor_gt           0.0497
_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)+(0.0787P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1325
_refine_ls_wR_factor_ref         0.1431
_reflns_number_gt                4772
_reflns_number_total             8042
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt03144g2.cif
_cod_data_source_block           Zn4Dy4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7040735--7040738.cif.
;
_cod_original_sg_symbol_H-M      I2/m
_cod_database_code               7040736
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Dy1 Dy 1.039853(15) 1.0000 0.930168(11) 0.077 Uani 1 2 d SU
Dy2 Dy 0.906461(15) 1.0000 0.963065(11) 0.072 Uani 1 2 d SU
Zn2 Zn 0.76870(3) 1.0000 0.93918(3) 0.047 Uani 1 2 d SU
Zn1 Zn 1.06161(4) 1.0000 0.82524(3) 0.046 Uani 1 2 d SU
Fe2 Fe 0.54447(4) 1.0000 0.86598(3) 0.044 Uani 1 2 d SU
Fe1 Fe 1.15610(5) 1.0000 0.66351(3) 0.046 Uani 1 2 d SU
O5A O 1.0000 1.0000 1.0000 0.073 Uani 1 4 d SU
O9 O 0.7803(2) 1.0000 0.87816(15) 0.042 Uani 1 2 d SU
O8 O 0.8699(2) 1.0000 0.89375(15) 0.051 Uani 1 2 d SU
O7 O 0.82747(15) 0.8765(5) 0.96464(11) 0.063 Uani 1 1 d U
N2 N 1.04451(18) 0.8527(6) 0.78144(13) 0.045 Uani 1 1 d U
O3 O 1.1271(2) 1.0000 0.90788(17) 0.068 Uani 1 2 d SU
O6 O 0.91212(16) 0.8634(6) 1.02191(11) 0.078 Uani 1 1 d U
O1 O 1.03223(15) 0.8767(5) 0.86847(11) 0.062 Uani 1 1 d U
O2 O 0.96422(15) 0.8633(6) 0.92944(12) 0.071 Uani 1 1 d U
C34 C 0.8288(3) 1.0000 0.8675(2) 0.042 Uani 1 2 d SU
N1 N 1.06451(17) 0.8558(5) 0.74051(13) 0.041 Uani 1 1 d U
C14 C 0.8664(2) 0.7940(8) 1.02972(19) 0.063 Uani 1 1 d U
N4 N 0.65787(18) 0.8560(6) 0.93373(14) 0.044 Uani 1 1 d U
C26 C 0.5115(2) 0.8493(8) 0.83430(19) 0.056 Uani 1 1 d U
H26 H 0.4861 0.8522 0.8088 0.067 Uiso 1 1 calc R
O4 O 1.1410(2) 1.0000 0.83879(15) 0.038 Uani 1 2 d SU
N3 N 0.71374(17) 0.8503(5) 0.95042(14) 0.041 Uani 1 1 d U
C5 C 1.1159(2) 0.8328(7) 0.73970(17) 0.044 Uani 1 1 d U
C35 C 0.8383(3) 1.0000 0.8213(2) 0.044 Uani 1 2 d SU
H35A H 0.8058 1.0282 0.8051 0.066 Uiso 0.50 1 calc PR
H35B H 0.8471 0.9163 0.8126 0.066 Uiso 0.50 1 calc PR
H35C H 0.8681 1.0555 0.8164 0.066 Uiso 0.50 1 calc PR
C16 C 0.7715(2) 0.7519(8) 1.00803(18) 0.054 Uani 1 1 d U
C24 C 0.5903(2) 0.8415(7) 0.87793(18) 0.040 Uani 1 1 d U
C18 C 0.8137(3) 0.6642(8) 1.0728(2) 0.068 Uani 1 1 d U
H18 H 0.8116 0.6158 1.0972 0.081 Uiso 1 1 calc R
C37 C 1.2192(3) 1.0000 0.8892(3) 0.056 Uani 1 2 d SU
H37A H 1.2310 1.0837 0.8967 0.084 Uiso 0.50 1 calc PR
H37B H 1.2376 0.9717 0.8652 0.084 Uiso 0.50 1 calc PR
H37C H 1.2277 0.9446 0.9128 0.084 Uiso 0.50 1 calc PR
C22 C 0.6888(2) 0.8011(7) 0.86347(18) 0.050 Uani 1 1 d U
H22A H 0.6876 0.8633 0.8414 0.075 Uiso 1 1 calc R
H22B H 0.6797 0.7203 0.8513 0.075 Uiso 1 1 calc R
H22C H 0.7249 0.7982 0.8776 0.075 Uiso 1 1 calc R
C15 C 0.8206(2) 0.8097(8) 0.99957(18) 0.055 Uani 1 1 d U
C36 C 1.1580(3) 1.0000 0.8780(3) 0.040 Uani 1 2 d SU
C4 C 1.1372(2) 0.8413(6) 0.69687(18) 0.039 Uani 1 1 d U
C25 C 0.5683(2) 0.8455(7) 0.83495(18) 0.047 Uani 1 1 d U
H25 H 0.5896 0.8455 0.8099 0.057 Uiso 1 1 calc R
C21 C 0.6489(2) 0.8342(7) 0.89461(18) 0.044 Uani 1 1 d U
C7 C 1.0028(2) 0.7760(7) 0.78334(19) 0.048 Uani 1 1 d U
H7 H 0.9922 0.7294 0.7591 0.058 Uiso 1 1 calc R
C8 C 0.9721(2) 0.7586(7) 0.8203(2) 0.053 Uani 1 1 d U
C13 C 0.9863(2) 0.8119(7) 0.85973(17) 0.048 Uani 1 1 d U
C20 C 0.7211(2) 0.7726(7) 0.98171(17) 0.050 Uani 1 1 d U
H20 H 0.6910 0.7249 0.9881 0.059 Uiso 1 1 calc R
C1 C 1.1962(3) 0.8458(8) 0.6437(2) 0.059 Uani 1 1 d U
H1 H 1.2299 0.8463 0.6288 0.071 Uiso 1 1 calc R
C6 C 1.1555(2) 0.7951(7) 0.77560(17) 0.052 Uani 1 1 d U
H6A H 1.1839 0.8572 0.7794 0.079 Uiso 1 1 calc R
H6B H 1.1713 0.7153 0.7694 0.079 Uiso 1 1 calc R
H6C H 1.1368 0.7885 0.8012 0.079 Uiso 1 1 calc R
C23 C 0.5449(2) 0.8443(7) 0.90428(19) 0.054 Uani 1 1 d U
H23 H 0.5473 0.8441 0.9355 0.065 Uiso 1 1 calc R
C3 C 1.1054(2) 0.8483(7) 0.65703(17) 0.047 Uani 1 1 d U
H3 H 1.0654 0.8504 0.6529 0.056 Uiso 1 1 calc R
C12 C 0.9506(2) 0.7982(8) 0.89344(19) 0.059 Uani 1 1 d U
C19 C 0.8617(3) 0.7230(8) 1.06523(18) 0.067 Uani 1 1 d U
H19 H 0.8919 0.7141 1.0848 0.081 Uiso 1 1 calc R
C17 C 0.7686(3) 0.6769(8) 1.04440(19) 0.065 Uani 1 1 d U
H17 H 0.7362 0.6357 1.0493 0.077 Uiso 1 1 calc R
C2 C 1.1425(3) 0.8466(7) 0.62448(19) 0.057 Uani 1 1 d U
H2 H 1.1324 0.8494 0.5938 0.068 Uiso 1 1 calc R
C11 C 0.9034(3) 0.7272(7) 0.8855(2) 0.062 Uani 1 1 d U
H11 H 0.8794 0.7189 0.9068 0.075 Uiso 1 1 calc R
C9 C 0.9246(3) 0.6827(7) 0.8138(2) 0.056 Uani 1 1 d U
H9 H 0.9161 0.6432 0.7878 0.068 Uiso 1 1 calc R
C10 C 0.8912(3) 0.6686(7) 0.8471(2) 0.067 Uani 1 1 d U
H10 H 0.8600 0.6188 0.8433 0.080 Uiso 1 1 calc R
C41 C 0.4966(2) 0.8499(7) 0.87719(19) 0.051 Uani 1 1 d U
H41 H 0.4592 0.8533 0.8862 0.061 Uiso 1 1 calc R
C40 C 1.1932(2) 0.8403(7) 0.68769(19) 0.052 Uani 1 1 d U
H40 H 1.2246 0.8378 0.7089 0.063 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 '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
O3 Dy1 O1 76.32(14) . 6_575
O3 Dy1 O1 76.32(14) . .
O1 Dy1 O1 68.1(3) 6_575 .
O3 Dy1 O6 76.38(14) . 5_777
O1 Dy1 O6 101.10(19) 6_575 5_777
O1 Dy1 O6 152.36(13) . 5_777
O3 Dy1 O6 76.38(14) . 2_757
O1 Dy1 O6 152.36(13) 6_575 2_757
O1 Dy1 O6 101.10(19) . 2_757
O6 Dy1 O6 76.5(3) 5_777 2_757
O3 Dy1 O2 138.27(14) . .
O1 Dy1 O2 108.95(15) 6_575 .
O1 Dy1 O2 68.47(15) . .
O6 Dy1 O2 138.11(15) 5_777 .
O6 Dy1 O2 88.86(16) 2_757 .
O3 Dy1 O2 138.27(14) . 6_575
O1 Dy1 O2 68.47(15) 6_575 6_575
O1 Dy1 O2 108.95(15) . 6_575
O6 Dy1 O2 88.86(16) 5_777 6_575
O6 Dy1 O2 138.10(14) 2_757 6_575
O2 Dy1 O2 76.3(3) . 6_575
O3 Dy1 O5A 135.26(14) . .
O1 Dy1 O5A 136.62(10) 6_575 .
O1 Dy1 O5A 136.62(11) . .
O6 Dy1 O5A 68.89(10) 5_777 .
O6 Dy1 O5A 68.89(10) 2_757 .
O2 Dy1 O5A 69.22(10) . .
O2 Dy1 O5A 69.21(10) 6_575 .
O3 Dy1 Zn1 58.88(14) . .
O1 Dy1 Zn1 36.69(12) 6_575 .
O1 Dy1 Zn1 36.69(12) . .
O6 Dy1 Zn1 121.32(11) 5_777 .
O6 Dy1 Zn1 121.32(11) 2_757 .
O2 Dy1 Zn1 99.94(10) . .
O2 Dy1 Zn1 99.94(10) 6_575 .
O5A Dy1 Zn1 165.86(2) . .
O3 Dy1 Dy2 179.44(14) . .
O1 Dy1 Dy2 103.22(9) 6_575 .
O1 Dy1 Dy2 103.22(9) . .
O6 Dy1 Dy2 104.06(9) 5_777 .
O6 Dy1 Dy2 104.06(9) 2_757 .
O2 Dy1 Dy2 41.53(13) . .
O2 Dy1 Dy2 41.52(13) 6_575 .
O5A Dy1 Dy2 45.307(9) . .
Zn1 Dy1 Dy2 120.55(2) . .
O3 Dy1 Dy2 90.21(14) . 5_777
O1 Dy1 Dy2 142.63(12) 6_575 5_777
O1 Dy1 Dy2 142.64(12) . 5_777
O6 Dy1 Dy2 41.55(13) 5_777 5_777
O6 Dy1 Dy2 41.55(13) 2_757 5_777
O2 Dy1 Dy2 104.25(9) . 5_777
O2 Dy1 Dy2 104.24(9) 6_575 5_777
O5A Dy1 Dy2 45.046(9) . 5_777
Zn1 Dy1 Dy2 149.10(2) . 5_777
Dy2 Dy1 Dy2 90.353(13) . 5_777
O8 Dy2 O2 76.99(13) . 6_575
O8 Dy2 O2 76.99(13) . .
O2 Dy2 O2 76.9(3) 6_575 .
O8 Dy2 O7 75.92(14) . .
O2 Dy2 O7 152.57(14) 6_575 .
O2 Dy2 O7 101.00(19) . .
O8 Dy2 O7 75.92(13) . 6_575
O2 Dy2 O7 101.00(18) 6_575 6_575
O2 Dy2 O7 152.57(14) . 6_575
O7 Dy2 O7 68.2(2) . 6_575
O8 Dy2 O6 138.19(15) . 6_575
O2 Dy2 O6 88.41(16) 6_575 6_575
O2 Dy2 O6 137.74(15) . 6_575
O7 Dy2 O6 109.19(15) . 6_575
O7 Dy2 O6 68.68(15) 6_575 6_575
O8 Dy2 O6 138.19(15) . .
O2 Dy2 O6 137.73(15) 6_575 .
O2 Dy2 O6 88.42(16) . .
O7 Dy2 O6 68.68(15) . .
O7 Dy2 O6 109.19(15) 6_575 .
O6 Dy2 O6 76.3(3) 6_575 .
O8 Dy2 O5A 136.32(13) . .
O2 Dy2 O5A 69.19(11) 6_575 .
O2 Dy2 O5A 69.19(11) . .
O7 Dy2 O5A 136.27(11) . .
O7 Dy2 O5A 136.27(11) 6_575 .
O6 Dy2 O5A 68.55(11) 6_575 .
O6 Dy2 O5A 68.54(11) . .
O8 Dy2 Zn2 58.71(13) . .
O2 Dy2 Zn2 121.61(11) 6_575 .
O2 Dy2 Zn2 121.61(12) . .
O7 Dy2 Zn2 36.60(12) . .
O7 Dy2 Zn2 36.60(12) 6_575 .
O6 Dy2 Zn2 99.94(10) 6_575 .
O6 Dy2 Zn2 99.94(10) . .
O5A Dy2 Zn2 164.97(2) . .
O8 Dy2 Dy1 91.37(13) . .
O2 Dy2 Dy1 41.87(13) 6_575 .
O2 Dy2 Dy1 41.87(13) . .
O7 Dy2 Dy1 142.86(12) . .
O7 Dy2 Dy1 142.86(12) 6_575 .
O6 Dy2 Dy1 103.48(9) 6_575 .
O6 Dy2 Dy1 103.48(9) . .
O5A Dy2 Dy1 44.952(9) . .
Zn2 Dy2 Dy1 150.082(19) . .
O8 Dy2 Dy1 178.98(13) . 5_777
O2 Dy2 Dy1 103.80(9) 6_575 5_777
O2 Dy2 Dy1 103.80(9) . 5_777
O7 Dy2 Dy1 103.25(9) . 5_777
O7 Dy2 Dy1 103.24(9) 6_575 5_777
O6 Dy2 Dy1 41.43(14) 6_575 5_777
O6 Dy2 Dy1 41.43(14) . 5_777
O5A Dy2 Dy1 44.696(9) . 5_777
Zn2 Dy2 Dy1 120.271(18) . 5_777
Dy1 Dy2 Dy1 89.648(13) . 5_777
O9 Zn2 O7 103.39(16) . 6_575
O9 Zn2 O7 103.39(15) . .
O7 Zn2 O7 78.9(3) 6_575 .
O9 Zn2 N3 107.64(15) . .
O7 Zn2 N3 147.20(17) 6_575 .
O7 Zn2 N3 83.75(19) . .
O9 Zn2 N3 107.64(15) . 6_575
O7 Zn2 N3 83.75(19) 6_575 6_575
O7 Zn2 N3 147.20(17) . 6_575
N3 Zn2 N3 96.6(3) . 6_575
O9 Zn2 Dy2 90.07(15) . .
O7 Zn2 Dy2 42.55(14) 6_575 .
O7 Zn2 Dy2 42.55(14) . .
N3 Zn2 Dy2 126.28(13) . .
N3 Zn2 Dy2 126.28(13) 6_575 .
O4 Zn1 O1 104.29(15) . .
O4 Zn1 O1 104.28(15) . 6_575
O1 Zn1 O1 79.1(3) . 6_575
O4 Zn1 N2 106.70(15) . 6_575
O1 Zn1 N2 147.54(17) . 6_575
O1 Zn1 N2 84.16(19) 6_575 6_575
O4 Zn1 N2 106.70(15) . .
O1 Zn1 N2 84.16(19) . .
O1 Zn1 N2 147.55(18) 6_575 .
N2 Zn1 N2 95.9(3) 6_575 .
O4 Zn1 Dy1 90.83(14) . .
O1 Zn1 Dy1 42.76(14) . .
O1 Zn1 Dy1 42.76(14) 6_575 .
N2 Zn1 Dy1 126.91(13) 6_575 .
N2 Zn1 Dy1 126.91(13) . .
C25 Fe2 C25 108.8(4) 6_575 .
C25 Fe2 C26 121.6(3) 6_575 .
C25 Fe2 C26 40.3(2) . .
C25 Fe2 C26 40.3(2) 6_575 6_575
C25 Fe2 C26 121.6(3) . 6_575
C26 Fe2 C26 104.7(4) . 6_575
C25 Fe2 C41 156.4(3) 6_575 .
C25 Fe2 C41 68.7(3) . .
C26 Fe2 C41 41.2(2) . .
C26 Fe2 C41 119.6(3) 6_575 .
C25 Fe2 C41 68.7(3) 6_575 6_575
C25 Fe2 C41 156.4(3) . 6_575
C26 Fe2 C41 119.6(3) . 6_575
C26 Fe2 C41 41.2(2) 6_575 6_575
C41 Fe2 C41 103.8(4) . 6_575
C25 Fe2 C24 40.9(2) 6_575 6_575
C25 Fe2 C24 125.7(2) . 6_575
C26 Fe2 C24 159.5(2) . 6_575
C26 Fe2 C24 68.4(3) 6_575 6_575
C41 Fe2 C24 159.0(2) . 6_575
C41 Fe2 C24 68.7(3) 6_575 6_575
C25 Fe2 C24 125.7(2) 6_575 .
C25 Fe2 C24 40.9(2) . .
C26 Fe2 C24 68.4(3) . .
C26 Fe2 C24 159.5(2) 6_575 .
C41 Fe2 C24 68.7(3) . .
C41 Fe2 C24 159.0(2) 6_575 .
C24 Fe2 C24 111.0(3) 6_575 .
C25 Fe2 C23 162.4(2) 6_575 .
C25 Fe2 C23 68.9(3) . .
C26 Fe2 C23 68.6(3) . .
C26 Fe2 C23 156.2(2) 6_575 .
C41 Fe2 C23 40.4(2) . .
C41 Fe2 C23 120.7(3) 6_575 .
C24 Fe2 C23 125.4(3) 6_575 .
C24 Fe2 C23 41.1(2) . .
C25 Fe2 C23 68.9(3) 6_575 6_575
C25 Fe2 C23 162.4(2) . 6_575
C26 Fe2 C23 156.2(2) . 6_575
C26 Fe2 C23 68.6(3) 6_575 6_575
C41 Fe2 C23 120.7(3) . 6_575
C41 Fe2 C23 40.4(2) 6_575 6_575
C24 Fe2 C23 41.1(2) 6_575 6_575
C24 Fe2 C23 125.4(3) . 6_575
C23 Fe2 C23 107.8(4) . 6_575
C1 Fe1 C1 107.4(4) . 6_575
C1 Fe1 C3 155.9(3) . 6_575
C1 Fe1 C3 68.7(3) 6_575 6_575
C1 Fe1 C3 68.7(3) . .
C1 Fe1 C3 155.9(3) 6_575 .
C3 Fe1 C3 104.8(4) 6_575 .
C1 Fe1 C40 40.0(2) . .
C1 Fe1 C40 124.8(3) 6_575 .
C3 Fe1 C40 160.9(2) 6_575 .
C3 Fe1 C40 68.3(3) . .
C1 Fe1 C40 124.8(3) . 6_575
C1 Fe1 C40 40.0(2) 6_575 6_575
C3 Fe1 C40 68.3(3) 6_575 6_575
C3 Fe1 C40 160.9(2) . 6_575
C40 Fe1 C40 112.2(4) . 6_575
C1 Fe1 C2 40.2(3) . .
C1 Fe1 C2 121.1(3) 6_575 .
C3 Fe1 C2 119.9(3) 6_575 .
C3 Fe1 C2 40.7(2) . .
C40 Fe1 C2 67.1(3) . .
C40 Fe1 C2 158.3(2) 6_575 .
C1 Fe1 C2 121.1(3) . 6_575
C1 Fe1 C2 40.2(3) 6_575 6_575
C3 Fe1 C2 40.7(2) 6_575 6_575
C3 Fe1 C2 119.9(3) . 6_575
C40 Fe1 C2 158.3(2) . 6_575
C40 Fe1 C2 67.2(3) 6_575 6_575
C2 Fe1 C2 105.1(4) . 6_575
C1 Fe1 C4 68.2(3) . .
C1 Fe1 C4 161.8(3) 6_575 .
C3 Fe1 C4 122.7(2) 6_575 .
C3 Fe1 C4 40.8(2) . .
C40 Fe1 C4 40.6(2) . .
C40 Fe1 C4 126.9(2) 6_575 .
C2 Fe1 C4 67.9(3) . .
C2 Fe1 C4 157.4(3) 6_575 .
C1 Fe1 C4 161.8(3) . 6_575
C1 Fe1 C4 68.2(3) 6_575 6_575
C3 Fe1 C4 40.8(2) 6_575 6_575
C3 Fe1 C4 122.7(2) . 6_575
C40 Fe1 C4 126.9(2) . 6_575
C40 Fe1 C4 40.6(2) 6_575 6_575
C2 Fe1 C4 157.4(3) . 6_575
C2 Fe1 C4 67.9(3) 6_575 6_575
C4 Fe1 C4 110.0(3) . 6_575
Dy1 O5A Dy1 180.0 5_777 .
Dy1 O5A Dy2 89.745(13) 5_777 5_777
Dy1 O5A Dy2 90.258(13) . 5_777
Dy1 O5A Dy2 90.256(13) 5_777 .
Dy1 O5A Dy2 89.741(13) . .
Dy2 O5A Dy2 180.0 5_777 .
C34 O9 Zn2 118.1(5) . .
C34 O8 Dy2 149.7(5) . .
C15 O7 Zn2 122.1(3) . .
C15 O7 Dy2 118.2(4) . .
Zn2 O7 Dy2 100.8(2) . .
C7 N2 N1 112.4(5) . .
C7 N2 Zn1 123.3(4) . .
N1 N2 Zn1 120.9(4) . .
C36 O3 Dy1 149.2(5) . .
C14 O6 Dy1 126.2(4) . 5_777
C14 O6 Dy2 118.1(3) . .
Dy1 O6 Dy2 97.0(2) 5_777 .
C13 O1 Zn1 121.7(3) . .
C13 O1 Dy1 118.4(3) . .
Zn1 O1 Dy1 100.5(2) . .
C12 O2 Dy2 125.5(4) . .
C12 O2 Dy1 118.0(3) . .
Dy2 O2 Dy1 96.6(2) . .
O8 C34 O9 123.4(7) . .
O8 C34 C35 117.8(7) . .
O9 C34 C35 118.7(7) . .
C5 N1 N2 114.9(5) . .
C19 C14 O6 124.3(6) . .
C19 C14 C15 120.2(7) . .
O6 C14 C15 115.3(6) . .
C21 N4 N3 116.4(5) . .
C25 C26 C41 108.3(6) . .
C25 C26 Fe2 69.8(4) . .
C41 C26 Fe2 69.6(4) . .
C36 O4 Zn1 117.3(4) . .
C20 N3 N4 112.6(5) . .
C20 N3 Zn2 123.5(4) . .
N4 N3 Zn2 120.4(4) . .
N1 C5 C4 114.7(5) . .
N1 C5 C6 128.3(5) . .
C4 C5 C6 117.0(5) . .
C15 C16 C17 120.4(6) . .
C15 C16 C20 122.2(6) . .
C17 C16 C20 117.4(6) . .
C25 C24 C23 107.2(5) . .
C25 C24 C21 128.5(5) . .
C23 C24 C21 124.3(5) . .
C25 C24 Fe2 68.6(4) . .
C23 C24 Fe2 69.6(4) . .
C21 C24 Fe2 127.5(5) . .
C19 C18 C17 120.0(7) . .
O7 C15 C16 124.0(6) . .
O7 C15 C14 118.1(6) . .
C16 C15 C14 117.9(6) . .
O3 C36 O4 123.8(7) . .
O3 C36 C37 118.0(7) . .
O4 C36 C37 118.2(6) . .
C40 C4 C3 106.9(5) . .
C40 C4 C5 126.4(5) . .
C3 C4 C5 126.6(5) . .
C40 C4 Fe1 69.2(4) . .
C3 C4 Fe1 68.7(4) . .
C5 C4 Fe1 128.5(5) . .
C26 C25 C24 108.8(5) . .
C26 C25 Fe2 70.0(4) . .
C24 C25 Fe2 70.5(4) . .
N4 C21 C22 128.2(5) . .
N4 C21 C24 115.4(5) . .
C22 C21 C24 116.4(5) . .
N2 C7 C8 124.8(6) . .
C13 C8 C9 120.7(6) . .
C13 C8 C7 124.0(6) . .
C9 C8 C7 115.3(6) . .
O1 C13 C8 123.3(5) . .
O1 C13 C12 116.9(6) . .
C8 C13 C12 119.8(6) . .
N3 C20 C16 126.8(6) . .
C40 C1 C2 108.1(6) . .
C40 C1 Fe1 70.5(4) . .
C2 C1 Fe1 70.7(4) . .
C41 C23 C24 107.6(5) . .
C41 C23 Fe2 69.0(4) . .
C24 C23 Fe2 69.3(4) . .
C2 C3 C4 107.4(5) . .
C2 C3 Fe1 70.4(4) . .
C4 C3 Fe1 70.5(4) . .
O2 C12 C11 125.4(6) . .
O2 C12 C13 116.5(6) . .
C11 C12 C13 117.9(6) . .
C14 C19 C18 121.6(7) . .
C18 C17 C16 120.0(7) . .
C1 C2 C3 108.5(5) . .
C1 C2 Fe1 69.1(4) . .
C3 C2 Fe1 69.0(4) . .
C10 C11 C12 121.9(6) . .
C10 C9 C8 118.5(7) . .
C11 C10 C9 121.0(7) . .
C23 C41 C26 108.1(5) . .
C23 C41 Fe2 70.6(4) . .
C26 C41 Fe2 69.2(4) . .
C1 C40 C4 109.0(6) . .
C1 C40 Fe1 69.5(4) . .
C4 C40 Fe1 70.2(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O3 2.300(5) .
Dy1 O1 2.341(5) 6_575
Dy1 O1 2.341(5) .
Dy1 O6 2.346(5) 5_777
Dy1 O6 2.346(5) 2_757
Dy1 O2 2.354(5) .
Dy1 O2 2.354(5) 6_575
Dy1 O5A 2.4750(4) .
Dy1 Zn1 3.3900(9) .
Dy1 Dy2 3.5031(6) .
Dy1 Dy2 3.5188(5) 5_777
Dy2 O8 2.298(5) .
Dy2 O2 2.338(5) 6_575
Dy2 O2 2.338(5) .
Dy2 O7 2.342(5) .
Dy2 O7 2.342(5) 6_575
Dy2 O6 2.351(5) 6_575
Dy2 O6 2.351(5) .
Dy2 O5A 2.4903(4) .
Dy2 Zn2 3.4017(10) .
Dy2 Dy1 3.5188(5) 5_777
Zn2 O9 1.966(5) .
Zn2 O7 2.065(5) 6_575
Zn2 O7 2.065(4) .
Zn2 N3 2.132(5) .
Zn2 N3 2.132(5) 6_575
Zn1 O4 1.958(5) .
Zn1 O1 2.060(4) .
Zn1 O1 2.060(4) 6_575
Zn1 N2 2.109(5) 6_575
Zn1 N2 2.109(5) .
Fe2 C25 2.020(7) 6_575
Fe2 C25 2.020(7) .
Fe2 C26 2.023(7) .
Fe2 C26 2.023(7) 6_575
Fe2 C41 2.028(7) .
Fe2 C41 2.028(7) 6_575
Fe2 C24 2.044(7) 6_575
Fe2 C24 2.044(7) .
Fe2 C23 2.048(7) .
Fe2 C23 2.048(7) 6_575
Fe1 C1 2.034(7) .
Fe1 C1 2.034(7) 6_575
Fe1 C3 2.036(7) 6_575
Fe1 C3 2.036(7) .
Fe1 C40 2.046(7) .
Fe1 C40 2.046(7) 6_575
Fe1 C2 2.054(7) .
Fe1 C2 2.054(7) 6_575
Fe1 C4 2.059(6) .
Fe1 C4 2.060(6) 6_575
O5A Dy1 2.4750(4) 5_777
O5A Dy2 2.4902(4) 5_777
O9 C34 1.257(9) .
O8 C34 1.253(9) .
O7 C15 1.332(7) .
N2 C7 1.312(8) .
N2 N1 1.415(6) .
O3 C36 1.253(8) .
O6 C14 1.380(9) .
O6 Dy1 2.346(5) 5_777
O1 C13 1.330(7) .
O2 C12 1.349(9) .
C34 C35 1.493(10) .
N1 C5 1.284(7) .
C14 C19 1.362(10) .
C14 C15 1.424(8) .
N4 C21 1.258(7) .
N4 N3 1.430(6) .
C26 C25 1.392(8) .
C26 C41 1.427(8) .
O4 C36 1.275(9) .
N3 C20 1.288(8) .
C5 C4 1.486(7) .
C5 C6 1.488(8) .
C16 C15 1.394(9) .
C16 C17 1.403(9) .
C16 C20 1.451(8) .
C24 C25 1.420(8) .
C24 C23 1.438(8) .
C24 C21 1.491(8) .
C18 C19 1.368(10) .
C18 C17 1.375(9) .
C37 C36 1.513(11) .
C22 C21 1.480(7) .
C4 C40 1.426(8) .
C4 C3 1.428(8) .
C7 C8 1.447(8) .
C8 C13 1.385(9) .
C8 C9 1.417(9) .
C13 C12 1.434(7) .
C1 C40 1.394(8) .
C1 C2 1.407(9) .
C23 C41 1.408(8) .
C3 C2 1.422(8) .
C12 C11 1.388(10) .
C11 C10 1.376(10) .
C9 C10 1.387(8) .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.392 -0.260 0.001 3210 1363 ' '
