#------------------------------------------------------------------------------
#$Date: 2019-11-28 13:17:52 +0200 (Thu, 28 Nov 2019) $
#$Revision: 243863 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/24/7702432.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_7702432
loop_
_publ_author_name
'Benelli, Cristiano'
'Murrie, Mark'
'Parsons, Simon'
'Winpenny, Richard E. P.'
_publ_section_title
;
 Synthesis, structural and magnetic characterisation of a new Mn--Gd
 pivalate: preparation from a pre-formed hexanuclear
 cluster †
;
_journal_issue                   23
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              4125
_journal_paper_doi               10.1039/a907977g
_journal_year                    1999
_chemical_formula_moiety         '[Dy2Mn2(tma)8(Htma)2O2MeOH)2]CH2Cl2'
_chemical_formula_sum            'C53 H102 Cl2 Dy2 Mn2 O24'
_chemical_formula_weight         1629.13
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     'Isostructural with Gd analogue'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.15(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.641(9)
_cell_length_b                   13.418(4)
_cell_length_c                   24.024(8)
_cell_measurement_reflns_used    52
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     6935(4)
_computing_cell_refinement       'Stoe DIF4'
_computing_data_collection       'Stoe DIF4'
_computing_data_reduction        'Stoe REDU4'
_computing_molecular_graphics    SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.474
_diffrn_measured_fraction_theta_max 0.474
_diffrn_measurement_method       'Omega-theta with learnt profile (Clegg)'
_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  0.0349
_diffrn_reflns_av_sigmaI/netI    0.0449
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -2
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -2
_diffrn_reflns_number            9726
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         2.73
_diffrn_standards_decay_%        2
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.633
_exptl_absorpt_correction_T_max  0.289
_exptl_absorpt_correction_T_min  0.251
_exptl_absorpt_correction_type   Psi-scans
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3312
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.574
_refine_diff_density_min         -0.606
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    Riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     375
_refine_ls_number_reflns         6135
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0327
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0189P)²+26.4775P] where P=(Fo²+2Fc²)/3'
_refine_ls_wR_factor_gt          0.0619
_refine_ls_wR_factor_ref         0.0687
_reflns_number_gt                5010
_reflns_number_total             6135
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            907977g.txt
_cod_data_source_block           dymm88
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_atom_sites_solution_hydrogens' value 'Geometric' was
changed to 'geom'.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      I2/a
_cod_database_code               7702432
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'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_calc_flag
_atom_site_refinement_flags
Dy1 Dy 0.218854(9) 0.301918(16) 0.116821(9) 0.01818(7) Uani 1 d .
Mn1 Mn 0.26727(3) 0.15112(5) 0.23884(3) 0.01717(15) Uani 1 d .
O1 O 0.20505(11) 0.2470(2) 0.20391(11) 0.0156(6) Uani 1 d .
O1M O 0.18042(14) 0.3361(2) 0.01494(13) 0.0286(8) Uani 1 d .
H1M1 H 0.2170 0.3509 0.0020 0.034 Uiso 0.50 calc PR
H1M2 H 0.1622 0.2733 -0.0046 0.034 Uiso 0.50 calc PR
C1M C 0.1358(3) 0.4131(4) -0.0086(2) 0.0426(14) Uani 1 d .
H1M3 H 0.1261 0.4152 -0.0513 0.064 Uiso 1 calc R
H1M4 H 0.1529 0.4775 0.0081 0.064 Uiso 1 calc R
H1M5 H 0.0977 0.3993 0.0014 0.064 Uiso 1 calc R
O1A O 0.10710(13) 0.2578(3) 0.08721(14) 0.0307(8) Uani 1 d .
O2A O 0.09201(14) 0.1966(3) 0.16746(14) 0.0394(9) Uani 1 d .
H2A H 0.1276 0.2103 0.1836 0.047 Uiso 1 d R
C1A C 0.0735(2) 0.2185(4) 0.1121(2) 0.0262(11) Uani 1 d .
C2A C 0.0073(2) 0.1882(4) 0.0799(2) 0.0346(12) Uani 1 d .
C3A C 0.0093(3) 0.0762(5) 0.0691(4) 0.079(3) Uani 1 d .
H3A1 H 0.0249 0.0414 0.1067 0.118 Uiso 1 calc R
H3A2 H 0.0370 0.0631 0.0456 0.118 Uiso 1 calc R
H3A3 H -0.0326 0.0523 0.0480 0.118 Uiso 1 calc R
C4A C -0.0164(3) 0.2433(7) 0.0231(3) 0.084(3) Uani 1 d .
H4A1 H -0.0593 0.2229 0.0029 0.126 Uiso 1 calc R
H4A2 H 0.0098 0.2281 -0.0014 0.126 Uiso 1 calc R
H4A3 H -0.0153 0.3151 0.0309 0.126 Uiso 1 calc R
C5A C -0.0346(2) 0.2048(5) 0.1176(3) 0.0516(16) Uani 1 d .
H5A1 H -0.0182 0.1680 0.1545 0.077 Uiso 1 calc R
H5A2 H -0.0766 0.1811 0.0967 0.077 Uiso 1 calc R
H5A3 H -0.0361 0.2761 0.1260 0.077 Uiso 1 calc R
O1B O 0.16263(13) 0.4369(2) 0.22578(13) 0.0260(7) Uani 1 d .
O2B O 0.15816(14) 0.4357(3) 0.13152(14) 0.0295(8) Uani 1 d .
C1B C 0.1410(2) 0.4668(3) 0.1728(2) 0.0244(10) Uani 1 d .
C2B C 0.0902(2) 0.5466(4) 0.1606(2) 0.0308(11) Uani 1 d .
C3B C 0.0796(4) 0.5930(6) 0.1015(3) 0.093(3) Uani 1 d .
H3B1 H 0.1179 0.6251 0.1001 0.139 Uiso 1 calc R
H3B2 H 0.0464 0.6428 0.0945 0.139 Uiso 1 calc R
H3B3 H 0.0674 0.5413 0.0713 0.139 Uiso 1 calc R
C4B C 0.0319(3) 0.4963(5) 0.1645(4) 0.075(2) Uani 1 d .
H4B1 H 0.0399 0.4667 0.2035 0.112 Uiso 1 calc R
H4B2 H 0.0193 0.4440 0.1347 0.112 Uiso 1 calc R
H4B3 H -0.0015 0.5457 0.1580 0.112 Uiso 1 calc R
C5B C 0.1090(3) 0.6264(5) 0.2082(3) 0.072(2) Uani 1 d .
H5B1 H 0.1157 0.5955 0.2467 0.108 Uiso 1 calc R
H5B2 H 0.0759 0.6763 0.2014 0.108 Uiso 1 calc R
H5B3 H 0.1475 0.6587 0.2072 0.108 Uiso 1 calc R
O1C O 0.28021(15) 0.4527(3) 0.11434(14) 0.0324(8) Uani 1 d .
O2C O 0.28124(13) 0.4053(2) 0.20120(13) 0.0239(7) Uani 1 d .
C1C C 0.29646(19) 0.4676(4) 0.16847(19) 0.0234(10) Uani 1 d .
C2C C 0.3322(2) 0.5605(4) 0.1959(2) 0.0316(12) Uani 1 d .
C3C C 0.3836(2) 0.5309(4) 0.2514(2) 0.0430(14) Uani 1 d .
H3C1 H 0.4069 0.5904 0.2694 0.064 Uiso 1 calc R
H3C2 H 0.4117 0.4836 0.2415 0.064 Uiso 1 calc R
H3C3 H 0.3652 0.4996 0.2790 0.064 Uiso 1 calc R
C4C C 0.3597(3) 0.6127(5) 0.1535(3) 0.0603(19) Uani 1 d .
H4C1 H 0.3825 0.6722 0.1722 0.090 Uiso 1 calc R
H4C2 H 0.3262 0.6322 0.1182 0.090 Uiso 1 calc R
H4C3 H 0.3882 0.5673 0.1426 0.090 Uiso 1 calc R
C5C C 0.2850(3) 0.6290(4) 0.2115(3) 0.0486(15) Uani 1 d .
H5C1 H 0.3059 0.6904 0.2295 0.073 Uiso 1 calc R
H5C2 H 0.2680 0.5947 0.2392 0.073 Uiso 1 calc R
H5C3 H 0.2512 0.6455 0.1759 0.073 Uiso 1 calc R
O1D O 0.30814(14) 0.2499(3) 0.08411(13) 0.0296(8) Uani 1 d .
O2D O 0.31343(13) 0.2151(2) 0.17420(13) 0.0239(7) Uani 1 d .
C1D C 0.33862(19) 0.2159(3) 0.1343(2) 0.0230(10) Uani 1 d .
C2D C 0.4048(2) 0.1781(4) 0.1476(2) 0.0284(11) Uani 1 d .
C3D C 0.4433(2) 0.2239(5) 0.2054(3) 0.0577(19) Uani 1 d .
H3D1 H 0.4245 0.2074 0.2359 0.087 Uiso 1 calc R
H3D2 H 0.4444 0.2965 0.2012 0.087 Uiso 1 calc R
H3D3 H 0.4857 0.1974 0.2163 0.087 Uiso 1 calc R
C4D C 0.4321(2) 0.2017(5) 0.0991(3) 0.0571(18) Uani 1 d .
H4D1 H 0.4747 0.1759 0.1096 0.086 Uiso 1 calc R
H4D2 H 0.4325 0.2740 0.0936 0.086 Uiso 1 calc R
H4D3 H 0.4068 0.1703 0.0626 0.086 Uiso 1 calc R
C5D C 0.4031(3) 0.0654(5) 0.1548(3) 0.0569(18) Uani 1 d .
H5D1 H 0.3855 0.0495 0.1862 0.085 Uiso 1 calc R
H5D2 H 0.4453 0.0386 0.1646 0.085 Uiso 1 calc R
H5D3 H 0.3772 0.0355 0.1180 0.085 Uiso 1 calc R
O1E O 0.23331(14) 0.0469(2) 0.18126(13) 0.0254(7) Uani 1 d .
O2E O 0.20445(15) 0.1314(2) 0.09655(14) 0.0281(8) Uani 1 d .
C1E C 0.21318(19) 0.0524(4) 0.1250(2) 0.0246(11) Uani 1 d .
C2E C 0.2012(2) -0.0477(4) 0.0929(2) 0.0293(11) Uani 1 d .
C3E C 0.1729(3) -0.0305(4) 0.0275(2) 0.0407(14) Uani 1 d .
H3E1 H 0.2012 0.0101 0.0133 0.061 Uiso 1 calc R
H3E2 H 0.1331 0.0043 0.0199 0.061 Uiso 1 calc R
H3E3 H 0.1661 -0.0948 0.0071 0.061 Uiso 1 calc R
C4E C 0.1574(3) -0.1106(4) 0.1149(3) 0.0495(16) Uani 1 d .
H4E1 H 0.1758 -0.1218 0.1571 0.074 Uiso 1 calc R
H4E2 H 0.1506 -0.1749 0.0945 0.074 Uiso 1 calc R
H4E3 H 0.1176 -0.0759 0.1073 0.074 Uiso 1 calc R
C5E C 0.2639(3) -0.1020(4) 0.1059(3) 0.0520(16) Uani 1 d .
H5E1 H 0.2816 -0.1127 0.1482 0.078 Uiso 1 calc R
H5E2 H 0.2925 -0.0615 0.0920 0.078 Uiso 1 calc R
H5E3 H 0.2575 -0.1665 0.0857 0.078 Uiso 1 calc R
C1S C 0.2500 0.5970(6) 0.0000 0.051(2) Uani 1 d S
H1S1 H 0.2343 0.5551 -0.0344 0.061 Uiso 1 d R
Cl1S Cl 0.18852(9) 0.67193(13) 0.00677(8) 0.0693(5) Uani 1 d .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 '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'
Cl Cl 0.1484 0.1585 '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 O2E 80.14(11) . .
O1 Dy1 O2B 81.86(11) . .
O2E Dy1 O2B 136.62(11) . .
O1 Dy1 O1M 151.51(10) . .
O2E Dy1 O1M 89.54(11) . .
O2B Dy1 O1M 87.92(11) . .
O1 Dy1 O2D 71.49(9) . .
O2E Dy1 O2D 72.12(11) . .
O2B Dy1 O2D 136.64(10) . .
O1M Dy1 O2D 130.36(10) . .
O1 Dy1 O1C 121.04(10) . .
O2E Dy1 O1C 147.15(11) . .
O2B Dy1 O1C 74.78(11) . .
O1M Dy1 O1C 81.06(11) . .
O2D Dy1 O1C 90.20(11) . .
O1 Dy1 O1A 76.79(10) . .
O2E Dy1 O1A 69.08(11) . .
O2B Dy1 O1A 68.51(12) . .
O1M Dy1 O1A 74.73(11) . .
O2D Dy1 O1A 133.09(11) . .
O1C Dy1 O1A 136.23(11) . .
O1 Dy1 O1D 123.02(10) . .
O2E Dy1 O1D 74.58(11) . .
O2B Dy1 O1D 146.30(11) . .
O1M Dy1 O1D 78.54(10) . .
O2D Dy1 O1D 52.43(10) . .
O1C Dy1 O1D 72.71(11) . .
O1A Dy1 O1D 134.46(11) . .
O1 Dy1 O2C 69.34(10) . .
O2E Dy1 O2C 135.92(11) . .
O2B Dy1 O2C 70.35(11) . .
O1M Dy1 O2C 131.46(11) . .
O2D Dy1 O2C 68.51(10) . .
O1C Dy1 O2C 51.95(10) . .
O1A Dy1 O2C 129.37(10) . .
O1D Dy1 O2C 95.88(10) . .
O1 Dy1 C1D 97.30(11) . .
O2E Dy1 C1D 72.54(12) . .
O2B Dy1 C1D 149.15(12) . .
O1M Dy1 C1D 104.84(12) . .
O2D Dy1 C1D 26.05(11) . .
O1C Dy1 C1D 79.55(12) . .
O1A Dy1 C1D 141.61(12) . .
O1D Dy1 C1D 26.43(11) . .
O2C Dy1 C1D 80.46(11) . .
O1 Dy1 C1C 95.29(11) . .
O2E Dy1 C1C 151.08(12) . .
O2B Dy1 C1C 69.59(12) . .
O1M Dy1 C1C 105.96(12) . .
O2D Dy1 C1C 79.32(12) . .
O1C Dy1 C1C 25.80(11) . .
O1A Dy1 C1C 138.04(12) . .
O1D Dy1 C1C 84.57(12) . .
O2C Dy1 C1C 26.18(11) . .
C1D Dy1 C1C 79.84(13) . .
O1 Dy1 Mn1 31.62(7) . 7
O2E Dy1 Mn1 110.59(8) . 7
O2B Dy1 Mn1 65.38(8) . 7
O1M Dy1 Mn1 153.25(8) . 7
O2D Dy1 Mn1 74.38(7) . 7
O1C Dy1 Mn1 89.94(8) . 7
O1A Dy1 Mn1 95.60(8) . 7
O1D Dy1 Mn1 122.82(8) . 7
O2C Dy1 Mn1 39.64(7) . 7
C1D Dy1 Mn1 98.13(10) . 7
C1C Dy1 Mn1 64.56(9) . 7
O1 Mn1 O1 82.22(12) . 7
O1 Mn1 O1B 174.09(13) . 7
O1 Mn1 O1B 94.60(13) 7 7
O1 Mn1 O1E 95.62(13) . .
O1 Mn1 O1E 175.97(12) 7 .
O1B Mn1 O1E 87.84(14) 7 .
O1 Mn1 O2C 93.99(11) . 7
O1 Mn1 O2C 83.86(12) 7 7
O1B Mn1 O2C 90.60(12) 7 7
O1E Mn1 O2C 92.91(12) . 7
O1 Mn1 O2D 83.05(11) . .
O1 Mn1 O2D 95.96(12) 7 .
O1B Mn1 O2D 92.36(12) 7 .
O1E Mn1 O2D 87.14(12) . .
O2C Mn1 O2D 177.03(11) 7 .
O1 Mn1 Mn1 41.14(9) . 7
O1 Mn1 Mn1 41.08(8) 7 7
O1B Mn1 Mn1 135.48(10) 7 7
O1E Mn1 Mn1 136.67(10) . 7
O2C Mn1 Mn1 88.58(9) 7 7
O2D Mn1 Mn1 89.35(9) . 7
O1 Mn1 Dy1 98.25(9) . 7
O1 Mn1 Dy1 39.95(8) 7 7
O1B Mn1 Dy1 82.25(9) 7 7
O1E Mn1 Dy1 137.62(9) . 7
O2C Mn1 Dy1 46.43(8) 7 7
O2D Mn1 Dy1 134.15(8) . 7
Mn1 Mn1 Dy1 65.55(2) 7 7
O1 Mn1 Dy1 39.75(8) . .
O1 Mn1 Dy1 97.99(9) 7 .
O1B Mn1 Dy1 136.61(9) 7 .
O1E Mn1 Dy1 82.35(10) . .
O2C Mn1 Dy1 131.86(8) 7 .
O2D Mn1 Dy1 45.20(7) . .
Mn1 Mn1 Dy1 65.32(3) 7 .
Dy1 Mn1 Dy1 130.87(3) 7 .
Mn1 O1 Mn1 97.78(12) . 7
Mn1 O1 Dy1 108.82(12) . .
Mn1 O1 Dy1 108.43(13) 7 .
C1M O1M Dy1 122.2(3) . .
C1A O1A Dy1 134.2(3) . .
O1A C1A O2A 123.1(4) . .
O1A C1A C2A 122.3(4) . .
O2A C1A C2A 114.5(4) . .
C4A C2A C1A 110.5(4) . .
C4A C2A C5A 111.0(5) . .
C1A C2A C5A 111.0(4) . .
C4A C2A C3A 110.7(6) . .
C1A C2A C3A 105.9(4) . .
C5A C2A C3A 107.7(5) . .
C1B O1B Mn1 129.2(3) . 7
C1B O2B Dy1 135.8(3) . .
O2B C1B O1B 124.9(4) . .
O2B C1B C2B 118.9(4) . .
O1B C1B C2B 116.2(4) . .
C3B C2B C4B 111.0(6) . .
C3B C2B C5B 110.1(6) . .
C4B C2B C5B 108.2(5) . .
C3B C2B C1B 111.1(4) . .
C4B C2B C1B 107.2(4) . .
C5B C2B C1B 109.2(4) . .
C1C O1C Dy1 95.2(3) . .
C1C O2C Mn1 157.2(3) . 7
C1C O2C Dy1 93.3(3) . .
Mn1 O2C Dy1 93.93(11) 7 .
O1C C1C O2C 119.4(4) . .
O1C C1C C2C 121.7(4) . .
O2C C1C C2C 118.9(4) . .
O1C C1C Dy1 58.9(2) . .
O2C C1C Dy1 60.6(2) . .
C2C C1C Dy1 174.7(3) . .
C1C C2C C4C 111.1(4) . .
C1C C2C C3C 108.9(4) . .
C4C C2C C3C 110.2(4) . .
C1C C2C C5C 106.2(4) . .
C4C C2C C5C 110.4(5) . .
C3C C2C C5C 109.9(4) . .
C1D O1D Dy1 93.2(2) . .
C1D O2D Mn1 158.4(3) . .
C1D O2D Dy1 95.2(3) . .
Mn1 O2D Dy1 93.22(10) . .
O2D C1D O1D 118.9(4) . .
O2D C1D C2D 119.3(4) . .
O1D C1D C2D 121.8(4) . .
O2D C1D Dy1 58.7(2) . .
O1D C1D Dy1 60.4(2) . .
C2D C1D Dy1 174.6(3) . .
C4D C2D C1D 112.5(4) . .
C4D C2D C3D 111.3(5) . .
C1D C2D C3D 107.7(4) . .
C4D C2D C5D 109.0(5) . .
C1D C2D C5D 107.2(4) . .
C3D C2D C5D 109.0(5) . .
C1E O1E Mn1 129.6(3) . .
C1E O2E Dy1 137.0(3) . .
O2E C1E O1E 124.7(4) . .
O2E C1E C2E 119.9(4) . .
O1E C1E C2E 115.4(4) . .
C4E C2E C3E 109.5(4) . .
C4E C2E C1E 110.2(4) . .
C3E C2E C1E 109.8(4) . .
C4E C2E C5E 109.1(5) . .
C3E C2E C5E 110.4(4) . .
C1E C2E C5E 107.9(4) . .
Cl1S C1S Cl1S 110.5(5) 2 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O1 2.329(3) .
Dy1 O2E 2.341(3) .
Dy1 O2B 2.353(3) .
Dy1 O1M 2.373(3) .
Dy1 O2D 2.450(3) .
Dy1 O1C 2.465(3) .
Dy1 O1A 2.477(3) .
Dy1 O1D 2.486(3) .
Dy1 O2C 2.499(3) .
Dy1 C1D 2.855(4) .
Dy1 C1C 2.865(5) .
Dy1 Mn1 3.4412(13) 7
Mn1 O1 1.899(3) .
Mn1 O1 1.902(3) 7
Mn1 O1B 1.949(3) 7
Mn1 O1E 1.948(3) .
Mn1 O2C 2.200(3) 7
Mn1 O2D 2.292(3) .
Mn1 Mn1 2.8637(16) 7
Mn1 Dy1 3.4412(13) 7
O1 Mn1 1.902(3) 7
O1M C1M 1.433(6) .
O1A C1A 1.224(5) .
O2A C1A 1.298(5) .
C1A C2A 1.513(6) .
C2A C4A 1.496(8) .
C2A C5A 1.520(7) .
C2A C3A 1.527(8) .
O1B C1B 1.276(5) .
O1B Mn1 1.949(3) 7
O2B C1B 1.245(5) .
C1B C2B 1.532(6) .
C2B C3B 1.500(8) .
C2B C4B 1.512(7) .
C2B C5B 1.527(8) .
O1C C1C 1.252(5) .
O2C C1C 1.266(5) .
O2C Mn1 2.200(3) 7
C1C C2C 1.520(6) .
C2C C4C 1.521(7) .
C2C C3C 1.524(7) .
C2C C5C 1.542(7) .
O1D C1D 1.273(5) .
O2D C1D 1.259(5) .
C1D C2D 1.518(6) .
C2D C4D 1.512(6) .
C2D C3D 1.521(7) .
C2D C5D 1.525(8) .
O1E C1E 1.287(5) .
O2E C1E 1.243(6) .
C1E C2E 1.531(7) .
C2E C4E 1.517(7) .
C2E C3E 1.519(7) .
C2E C5E 1.537(7) .
C1S Cl1S 1.765(5) 2
C1S Cl1S 1.765(5) .
