#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:36:11 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179903 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/99/7019975.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_7019975
loop_
_publ_author_name
'Xie, Qi-Wei'
'Cui, Ai-Li'
'Tao, Jun'
'Kou, Hui-Zhong'
_publ_section_title
;
 Syntheses, structure, and magnetic properties of hexanuclear
 Mn(III)(2)M(III)(4) (M = Y, Gd, Tb, Dy) complexes.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10589
_journal_page_last               10595
_journal_paper_doi               10.1039/c2dt30785e
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C54 H90 Dy4 Mn2 N12 O24'
_chemical_formula_weight         2051.26
_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                101.719(3)
_cell_angle_beta                 111.565(2)
_cell_angle_gamma                93.299(3)
_cell_formula_units_Z            1
_cell_length_a                   11.7766(10)
_cell_length_b                   12.0196(12)
_cell_length_c                   14.5690(14)
_cell_measurement_reflns_used    6026
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      2.99
_cell_volume                     1858.0(3)
_computing_cell_refinement       'crystalstructure 3.6.0 (Rigaku, 2004)'
_computing_data_collection       'crystalstructure 3.6.0 (Rigaku, 2004)'
_computing_data_reduction        'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP (Sheldrick, 1998)'
_computing_publication_material  'XP (Sheldrick, 1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0.77
_diffrn_measured_fraction_theta_full 0.910
_diffrn_measured_fraction_theta_max 0.902
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP'
_diffrn_measurement_method       'ω scans'
_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  0.0381
_diffrn_reflns_av_sigmaI/netI    0.0628
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13104
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.00
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    4.377
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.496
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'ABSCOR; Higashi, 1995'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.833
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1004
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.081
_refine_diff_density_min         -1.183
_refine_diff_density_rms         0.205
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     443
_refine_ls_number_reflns         7672
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0613
_refine_ls_R_factor_gt           0.0454
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0657P)²+11.7951P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1364
_refine_ls_wR_factor_ref         0.1555
_reflns_number_gt                6026
_reflns_number_total             7672
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30785e.txt
_cod_data_source_block           4
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7019975
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
Mn1 Mn 1.13479(12) 0.86543(13) 0.41477(10) 0.0373(3) Uani 1 1 d .
Dy1 Dy 0.87687(3) 0.86536(4) 0.46067(3) 0.03163(13) Uani 1 1 d .
Dy2 Dy 0.94201(4) 0.99002(4) 0.25964(3) 0.03767(14) Uani 1 1 d .
C1 C 0.8683(9) 0.7592(10) 0.6546(7) 0.044(2) Uani 1 1 d .
C2 C 0.9340(9) 0.6873(10) 0.7118(8) 0.048(2) Uani 1 1 d .
H2A H 1.0183 0.6917 0.7273 0.057 Uiso 1 1 calc R
C3 C 0.8783(11) 0.6083(11) 0.7471(8) 0.058(3) Uani 1 1 d .
C4 C 0.7512(11) 0.5989(10) 0.7203(8) 0.056(3) Uani 1 1 d .
C5 C 0.6857(10) 0.6681(11) 0.6590(8) 0.057(3) Uani 1 1 d .
H5A H 0.6003 0.6595 0.6388 0.068 Uiso 1 1 calc R
C6 C 0.7411(9) 0.7493(10) 0.6266(7) 0.049(2) Uani 1 1 d .
C7 C 0.9589(13) 0.5418(11) 0.8179(10) 0.071(3) Uani 1 1 d .
H7A H 1.0435 0.5613 0.8279 0.107 Uiso 1 1 calc R
H7B H 0.9334 0.4609 0.7884 0.107 Uiso 1 1 calc R
H7C H 0.9506 0.5610 0.8822 0.107 Uiso 1 1 calc R
C8 C 0.6842(14) 0.5180(14) 0.7579(12) 0.086(4) Uani 1 1 d .
H8A H 0.5974 0.5224 0.7305 0.128 Uiso 1 1 calc R
H8B H 0.7152 0.5398 0.8308 0.128 Uiso 1 1 calc R
H8C H 0.6977 0.4408 0.7361 0.128 Uiso 1 1 calc R
C9 C 0.6670(9) 0.8225(9) 0.5632(7) 0.045(2) Uani 1 1 d .
H9A H 0.7040 0.9021 0.5945 0.055 Uiso 1 1 calc R
H9B H 0.5847 0.8148 0.5636 0.055 Uiso 1 1 calc R
C10 C 0.5721(8) 0.8690(10) 0.3972(8) 0.048(2) Uani 1 1 d .
H10A H 0.4920 0.8560 0.4007 0.057 Uiso 1 1 calc R
H10B H 0.5609 0.8462 0.3263 0.057 Uiso 1 1 calc R
C11 C 0.6228(8) 0.9973(9) 0.4383(8) 0.045(2) Uani 1 1 d .
H11A H 0.5765 1.0394 0.3901 0.054 Uiso 1 1 calc R
H11B H 0.6129 1.0255 0.5018 0.054 Uiso 1 1 calc R
C12 C 0.6036(8) 0.6694(9) 0.4033(7) 0.045(2) Uani 1 1 d .
H12A H 0.5504 0.6424 0.4341 0.054 Uiso 1 1 calc R
H12B H 0.5538 0.6625 0.3321 0.054 Uiso 1 1 calc R
C13 C 0.7028(9) 0.5952(10) 0.4116(8) 0.051(2) Uani 1 1 d .
H13A H 0.7381 0.5865 0.4808 0.061 Uiso 1 1 calc R
H13B H 0.6658 0.5197 0.3673 0.061 Uiso 1 1 calc R
C14 C 0.9159(8) 0.5896(9) 0.4360(8) 0.045(2) Uani 1 1 d .
H14A H 0.9020 0.5079 0.4052 0.054 Uiso 1 1 calc R
H14B H 0.9289 0.5992 0.5071 0.054 Uiso 1 1 calc R
C15 C 1.0311(9) 0.6440(8) 0.4293(9) 0.046(2) Uani 1 1 d .
H15A H 1.1033 0.6190 0.4741 0.055 Uiso 1 1 calc R
H15B H 1.0271 0.6200 0.3603 0.055 Uiso 1 1 calc R
C16 C 0.7717(9) 0.6102(9) 0.2737(7) 0.047(2) Uani 1 1 d .
H16A H 0.7441 0.5282 0.2486 0.056 Uiso 1 1 calc R
H16B H 0.8460 0.6262 0.2616 0.056 Uiso 1 1 calc R
C17 C 0.6722(9) 0.6720(10) 0.2108(7) 0.047(2) Uani 1 1 d .
C18 C 0.5557(11) 0.6085(11) 0.1458(8) 0.059(3) Uani 1 1 d .
H18A H 0.5371 0.5312 0.1427 0.070 Uiso 1 1 calc R
C19 C 0.4665(11) 0.6686(19) 0.0841(9) 0.090(6) Uani 1 1 d .
C20 C 0.4957(11) 0.7817(13) 0.0885(9) 0.067(3) Uani 1 1 d .
C21 C 0.6094(10) 0.8393(12) 0.1535(7) 0.057(3) Uani 1 1 d .
H21A H 0.6277 0.9163 0.1554 0.069 Uiso 1 1 calc R
C22 C 0.6986(8) 0.7889(9) 0.2167(7) 0.043(2) Uani 1 1 d .
C23 C 0.3385(12) 0.5949(17) 0.0160(11) 0.097(6) Uani 1 1 d .
H23A H 0.2838 0.6421 -0.0196 0.146 Uiso 1 1 calc R
H23B H 0.3044 0.5646 0.0580 0.146 Uiso 1 1 calc R
H23C H 0.3484 0.5328 -0.0321 0.146 Uiso 1 1 calc R
C24 C 0.3979(14) 0.8380(18) 0.0212(13) 0.115(7) Uani 1 1 d .
H24A H 0.3251 0.7828 -0.0179 0.173 Uiso 1 1 calc R
H24B H 0.4280 0.8664 -0.0239 0.173 Uiso 1 1 calc R
H24C H 0.3783 0.9006 0.0626 0.173 Uiso 1 1 calc R
C25 C 0.869(2) 0.7239(17) 0.0816(15) 0.129(8) Uani 1 1 d .
H25A H 0.8309 0.6902 0.0098 0.194 Uiso 1 1 calc R
H25B H 0.8258 0.6895 0.1157 0.194 Uiso 1 1 calc R
H25C H 0.9535 0.7108 0.1067 0.194 Uiso 1 1 calc R
C26 C 0.7525(16) 1.1982(13) 0.2994(12) 0.084(4) Uani 1 1 d .
H26A H 0.6875 1.2080 0.3239 0.125 Uiso 1 1 calc R
H26B H 0.7235 1.2036 0.2299 0.125 Uiso 1 1 calc R
H26C H 0.8216 1.2570 0.3402 0.125 Uiso 1 1 calc R
C27 C 1.1854(14) 0.8663(15) 0.2262(10) 0.084(5) Uani 1 1 d .
H27A H 1.2508 0.8282 0.2625 0.126 Uiso 1 1 calc R
H27B H 1.2199 0.9339 0.2147 0.126 Uiso 1 1 calc R
H27C H 1.1341 0.8155 0.1621 0.126 Uiso 1 1 calc R
N1 N 1.2559(9) 0.7629(9) 0.4048(7) 0.056(2) Uani 1 1 d .
N2 N 1.3071(8) 0.7125(10) 0.4653(8) 0.064(3) Uani 1 1 d .
N3 N 1.3600(11) 0.6604(13) 0.5221(11) 0.094(4) Uani 1 1 d .
N4 N 0.8043(7) 0.6402(7) 0.3847(6) 0.0412(17) Uani 1 1 d .
N5 N 0.6559(7) 0.7955(7) 0.4553(6) 0.0393(16) Uani 1 1 d .
N6 N 0.9406(10) 1.1104(10) 0.1050(7) 0.066(3) Uani 1 1 d .
O1 O 0.9268(6) 0.8381(7) 0.6262(5) 0.0441(15) Uani 1 1 d .
O2 O 0.8101(5) 0.8480(6) 0.2826(4) 0.0390(14) Uani 1 1 d .
O3 O 0.7486(5) 1.0163(6) 0.4545(5) 0.0416(15) Uani 1 1 d .
O4 O 1.0406(5) 0.7646(6) 0.4576(5) 0.0388(13) Uani 1 1 d .
O5 O 1.0208(5) 0.9642(6) 0.4182(4) 0.0353(13) Uani 1 1 d .
O6 O 0.7904(7) 1.0858(7) 0.3060(5) 0.0520(18) Uani 1 1 d .
O7 O 0.8642(9) 0.8501(9) 0.1012(6) 0.072(2) Uani 1 1 d .
O8 O 1.1121(7) 0.8984(8) 0.2855(5) 0.057(2) Uani 1 1 d .
O9 O 0.8521(8) 1.1031(9) 0.1340(6) 0.067(2) Uani 1 1 d .
O10 O 1.0322(8) 1.0611(8) 0.1470(6) 0.063(2) Uani 1 1 d .
O11 O 0.9388(10) 1.1610(9) 0.0417(7) 0.081(3) Uani 1 1 d .
O1W O 0.7778(14) 0.8949(18) -0.0788(9) 0.104(7) Uani 0.70(3) 1 d P
O1W' O 0.664(3) 0.870(3) -0.140(2) 0.080(13) Uani 0.30(3) 1 d P
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'
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'
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
O5 Mn1 O8 85.0(3) . .
O5 Mn1 O4 85.9(3) . .
O8 Mn1 O4 133.6(3) . .
O5 Mn1 N1 177.0(3) . .
O8 Mn1 N1 92.0(3) . .
O4 Mn1 N1 96.4(3) . .
O5 Mn1 O3 84.1(3) . 2_776
O8 Mn1 O3 117.9(3) . 2_776
O4 Mn1 O3 106.2(3) . 2_776
N1 Mn1 O3 97.0(4) . 2_776
O5 Mn1 Dy2 42.21(17) . .
O8 Mn1 Dy2 44.0(2) . .
O4 Mn1 Dy2 107.79(18) . .
N1 Mn1 Dy2 135.0(3) . .
O3 Mn1 Dy2 111.17(18) 2_776 .
O5 Mn1 Dy1 42.73(19) . .
O8 Mn1 Dy1 112.5(2) . .
O4 Mn1 Dy1 43.29(17) . .
N1 Mn1 Dy1 139.5(3) . .
O3 Mn1 Dy1 98.78(16) 2_776 .
Dy2 Mn1 Dy1 71.28(3) . .
O5 Mn1 Dy1 40.4(2) . 2_776
O8 Mn1 Dy1 97.6(2) . 2_776
O4 Mn1 Dy1 104.30(19) . 2_776
N1 Mn1 Dy1 140.0(3) . 2_776
O3 Mn1 Dy1 44.61(16) 2_776 2_776
Dy2 Mn1 Dy1 69.75(3) . 2_776
Dy1 Mn1 Dy1 70.45(3) . 2_776
O5 Dy1 O4 102.2(2) 2_776 .
O5 Dy1 O5 67.4(2) 2_776 .
O4 Dy1 O5 66.8(2) . .
O5 Dy1 O1 69.7(2) 2_776 .
O4 Dy1 O1 85.9(2) . .
O5 Dy1 O1 121.4(2) . .
O5 Dy1 O2 123.1(2) 2_776 .
O4 Dy1 O2 89.9(2) . .
O5 Dy1 O2 67.5(2) . .
O1 Dy1 O2 167.1(3) . .
O5 Dy1 O3 67.1(2) 2_776 .
O4 Dy1 O3 161.4(2) . .
O5 Dy1 O3 94.7(2) . .
O1 Dy1 O3 103.4(2) . .
O2 Dy1 O3 84.1(2) . .
O5 Dy1 N5 114.5(2) 2_776 .
O4 Dy1 N5 131.2(2) . .
O5 Dy1 N5 156.8(2) . .
O1 Dy1 N5 78.4(2) . .
O2 Dy1 N5 95.4(2) . .
O3 Dy1 N5 67.1(2) . .
O5 Dy1 N4 157.9(2) 2_776 .
O4 Dy1 N4 67.5(2) . .
O5 Dy1 N4 121.2(2) . .
O1 Dy1 N4 89.6(2) . .
O2 Dy1 N4 77.5(2) . .
O3 Dy1 N4 127.7(2) . .
N5 Dy1 N4 66.5(2) . .
O5 Dy1 Mn1 84.65(13) 2_776 .
O4 Dy1 Mn1 34.49(15) . .
O5 Dy1 Mn1 32.34(14) . .
O1 Dy1 Mn1 107.43(15) . .
O2 Dy1 Mn1 74.99(14) . .
O3 Dy1 Mn1 127.00(15) . .
N5 Dy1 Mn1 160.60(18) . .
N4 Dy1 Mn1 94.70(16) . .
O5 Dy1 Mn1 30.93(13) 2_776 2_776
O4 Dy1 Mn1 132.92(17) . 2_776
O5 Dy1 Mn1 82.90(15) . 2_776
O1 Dy1 Mn1 80.07(18) . 2_776
O2 Dy1 Mn1 111.37(16) . 2_776
O3 Dy1 Mn1 36.91(16) . 2_776
N5 Dy1 Mn1 89.56(18) . 2_776
N4 Dy1 Mn1 155.50(16) . 2_776
Mn1 Dy1 Mn1 109.55(3) . 2_776
O5 Dy1 Dy2 33.06(14) 2_776 2_776
O4 Dy1 Dy2 90.33(16) . 2_776
O5 Dy1 Dy2 89.84(14) . 2_776
O1 Dy1 Dy2 37.34(18) . 2_776
O2 Dy1 Dy2 155.08(16) . 2_776
O3 Dy1 Dy2 87.78(15) . 2_776
N5 Dy1 Dy2 103.07(17) . 2_776
N4 Dy1 Dy2 125.17(16) . 2_776
Mn1 Dy1 Dy2 91.52(3) . 2_776
Mn1 Dy1 Dy2 53.02(2) 2_776 2_776
O5 Dy1 Dy2 89.29(14) 2_776 .
O4 Dy1 Dy2 83.20(14) . .
O5 Dy1 Dy2 32.52(13) . .
O1 Dy1 Dy2 153.70(16) . .
O2 Dy1 Dy2 36.73(16) . .
O3 Dy1 Dy2 81.48(14) . .
N5 Dy1 Dy2 126.20(15) . .
N4 Dy1 Dy2 108.00(16) . .
Mn1 Dy1 Dy2 53.13(2) . .
Mn1 Dy1 Dy2 89.96(2) 2_776 .
Dy2 Dy1 Dy2 118.713(14) 2_776 .
O5 Dy2 O8 68.6(2) . .
O5 Dy2 O7 129.1(3) . .
O8 Dy2 O7 82.4(3) . .
O5 Dy2 O2 68.8(2) . .
O8 Dy2 O2 98.8(3) . .
O7 Dy2 O2 75.9(3) . .
O5 Dy2 O1 70.4(2) . 2_776
O8 Dy2 O1 89.2(3) . 2_776
O7 Dy2 O1 152.1(3) . 2_776
O2 Dy2 O1 131.8(2) . 2_776
O5 Dy2 O6 87.5(2) . .
O8 Dy2 O6 156.0(2) . .
O7 Dy2 O6 115.7(3) . .
O2 Dy2 O6 72.6(2) . .
O1 Dy2 O6 81.1(2) 2_776 .
O5 Dy2 O9 153.6(3) . .
O8 Dy2 O9 129.0(2) . .
O7 Dy2 O9 76.4(3) . .
O2 Dy2 O9 119.5(3) . .
O1 Dy2 O9 88.8(3) 2_776 .
O6 Dy2 O9 73.0(2) . .
O5 Dy2 O10 134.4(2) . .
O8 Dy2 O10 78.3(2) . .
O7 Dy2 O10 73.3(3) . .
O2 Dy2 O10 149.3(3) . .
O1 Dy2 O10 78.9(3) 2_776 .
O6 Dy2 O10 120.7(2) . .
O9 Dy2 O10 51.4(3) . .
O5 Dy2 N6 152.3(3) . .
O8 Dy2 N6 103.9(3) . .
O7 Dy2 N6 73.3(3) . .
O2 Dy2 N6 138.6(3) . .
O1 Dy2 N6 83.1(3) 2_776 .
O6 Dy2 N6 96.7(2) . .
O9 Dy2 N6 25.5(3) . .
O10 Dy2 N6 25.9(2) . .
O5 Dy2 Mn1 33.61(14) . .
O8 Dy2 Mn1 35.90(16) . .
O7 Dy2 Mn1 104.1(2) . .
O2 Dy2 Mn1 76.82(14) . .
O1 Dy2 Mn1 83.20(15) 2_776 .
O6 Dy2 Mn1 120.56(15) . .
O9 Dy2 Mn1 162.6(2) . .
O10 Dy2 Mn1 111.67(17) . .
N6 Dy2 Mn1 137.4(2) . .
O5 Dy2 Dy1 34.54(17) . 2_776
O8 Dy2 Dy1 81.35(19) . 2_776
O7 Dy2 Dy1 161.3(2) . 2_776
O2 Dy2 Dy1 97.52(14) . 2_776
O1 Dy2 Dy1 36.57(14) 2_776 2_776
O6 Dy2 Dy1 77.78(18) . 2_776
O9 Dy2 Dy1 121.3(2) . 2_776
O10 Dy2 Dy1 112.0(2) . 2_776
N6 Dy2 Dy1 119.7(2) . 2_776
Mn1 Dy2 Dy1 57.23(3) . 2_776
O5 Dy2 Dy1 34.19(15) . .
O8 Dy2 Dy1 89.63(17) . .
O7 Dy2 Dy1 109.5(2) . .
O2 Dy2 Dy1 36.38(14) . .
O1 Dy2 Dy1 96.87(14) 2_776 .
O6 Dy2 Dy1 70.02(16) . .
O9 Dy2 Dy1 141.13(18) . .
O10 Dy2 Dy1 167.18(17) . .
N6 Dy2 Dy1 166.5(2) . .
Mn1 Dy2 Dy1 55.59(2) . .
Dy1 Dy2 Dy1 61.287(14) 2_776 .
O1 C1 C6 120.1(9) . .
O1 C1 C2 120.8(8) . .
C6 C1 C2 119.1(9) . .
C1 C2 C3 122.8(9) . .
C1 C2 H2A 118.6 . .
C3 C2 H2A 118.6 . .
C4 C3 C2 118.3(10) . .
C4 C3 C7 122.3(10) . .
C2 C3 C7 119.2(10) . .
C3 C4 C5 118.2(10) . .
C3 C4 C8 121.7(11) . .
C5 C4 C8 120.1(11) . .
C6 C5 C4 123.6(10) . .
C6 C5 H5A 118.2 . .
C4 C5 H5A 118.2 . .
C1 C6 C5 117.8(9) . .
C1 C6 C9 120.8(9) . .
C5 C6 C9 121.3(9) . .
C3 C7 H7A 109.5 . .
C3 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C3 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C4 C8 H8A 109.5 . .
C4 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C4 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C6 C9 N5 115.1(8) . .
C6 C9 H9A 108.5 . .
N5 C9 H9A 108.5 . .
C6 C9 H9B 108.5 . .
N5 C9 H9B 108.5 . .
H9A C9 H9B 107.5 . .
N5 C10 C11 112.6(8) . .
N5 C10 H10A 109.1 . .
C11 C10 H10A 109.1 . .
N5 C10 H10B 109.1 . .
C11 C10 H10B 109.1 . .
H10A C10 H10B 107.8 . .
O3 C11 C10 110.6(7) . .
O3 C11 H11A 109.5 . .
C10 C11 H11A 109.5 . .
O3 C11 H11B 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 108.1 . .
C13 C12 N5 112.2(8) . .
C13 C12 H12A 109.2 . .
N5 C12 H12A 109.2 . .
C13 C12 H12B 109.2 . .
N5 C12 H12B 109.2 . .
H12A C12 H12B 107.9 . .
N4 C13 C12 114.4(9) . .
N4 C13 H13A 108.6 . .
C12 C13 H13A 108.6 . .
N4 C13 H13B 108.6 . .
C12 C13 H13B 108.6 . .
H13A C13 H13B 107.6 . .
N4 C14 C15 112.8(7) . .
N4 C14 H14A 109.0 . .
C15 C14 H14A 109.0 . .
N4 C14 H14B 109.0 . .
C15 C14 H14B 109.0 . .
H14A C14 H14B 107.8 . .
O4 C15 C14 109.5(7) . .
O4 C15 H15A 109.8 . .
C14 C15 H15A 109.8 . .
O4 C15 H15B 109.8 . .
C14 C15 H15B 109.8 . .
H15A C15 H15B 108.2 . .
N4 C16 C17 116.4(8) . .
N4 C16 H16A 108.2 . .
C17 C16 H16A 108.2 . .
N4 C16 H16B 108.2 . .
C17 C16 H16B 108.2 . .
H16A C16 H16B 107.3 . .
C22 C17 C18 121.1(10) . .
C22 C17 C16 120.0(9) . .
C18 C17 C16 118.9(10) . .
C17 C18 C19 117.2(12) . .
C17 C18 H18A 121.4 . .
C19 C18 H18A 121.4 . .
C20 C19 C18 120.7(12) . .
C20 C19 C23 124.4(14) . .
C18 C19 C23 114.9(17) . .
C21 C20 C19 119.6(11) . .
C21 C20 C24 122.9(14) . .
C19 C20 C24 117.5(13) . .
C20 C21 C22 123.2(13) . .
C20 C21 H21A 118.4 . .
C22 C21 H21A 118.4 . .
O2 C22 C21 122.5(10) . .
O2 C22 C17 119.4(8) . .
C21 C22 C17 118.1(10) . .
C19 C23 H23A 109.5 . .
C19 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C19 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C20 C24 H24A 109.5 . .
C20 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C20 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
O7 C25 H25A 109.5 . .
O7 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
O7 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
O6 C26 H26A 109.5 . .
O6 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
O6 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
O8 C27 H27A 109.5 . .
O8 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
O8 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
N2 N1 Mn1 125.6(8) . .
N3 N2 N1 176.8(14) . .
C16 N4 C14 109.6(7) . .
C16 N4 C13 111.8(8) . .
C14 N4 C13 107.9(7) . .
C16 N4 Dy1 110.5(6) . .
C14 N4 Dy1 103.3(6) . .
C13 N4 Dy1 113.2(6) . .
C9 N5 C10 110.2(7) . .
C9 N5 C12 110.9(7) . .
C10 N5 C12 108.7(7) . .
C9 N5 Dy1 106.1(5) . .
C10 N5 Dy1 104.6(5) . .
C12 N5 Dy1 116.1(5) . .
O11 N6 O9 122.1(10) . .
O11 N6 O10 121.7(10) . .
O9 N6 O10 116.2(8) . .
O11 N6 Dy2 179.0(8) . .
O9 N6 Dy2 57.1(5) . .
O10 N6 Dy2 59.2(5) . .
C1 O1 Dy1 127.2(6) . .
C1 O1 Dy2 124.3(6) . 2_776
Dy1 O1 Dy2 106.1(3) . 2_776
C22 O2 Dy1 121.4(5) . .
C22 O2 Dy2 129.5(5) . .
Dy1 O2 Dy2 106.9(2) . .
C11 O3 Mn1 117.7(6) . 2_776
C11 O3 Dy1 123.5(6) . .
Mn1 O3 Dy1 98.5(2) 2_776 .
C15 O4 Mn1 122.4(5) . .
C15 O4 Dy1 124.8(5) . .
Mn1 O4 Dy1 102.2(3) . .
Mn1 O5 Dy2 104.2(2) . .
Mn1 O5 Dy1 108.7(3) . 2_776
Dy2 O5 Dy1 112.4(3) . 2_776
Mn1 O5 Dy1 104.9(3) . .
Dy2 O5 Dy1 113.3(2) . .
Dy1 O5 Dy1 112.6(2) 2_776 .
C26 O6 Dy2 132.0(8) . .
C25 O7 Dy2 128.7(10) . .
C27 O8 Mn1 126.3(7) . .
C27 O8 Dy2 133.6(6) . .
Mn1 O8 Dy2 100.1(3) . .
N6 O9 Dy2 97.4(6) . .
N6 O10 Dy2 95.0(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O5 1.850(5) .
Mn1 O8 1.930(6) .
Mn1 O4 1.936(6) .
Mn1 N1 1.964(8) .
Mn1 O3 2.071(7) 2_776
Mn1 Dy2 3.2402(13) .
Mn1 Dy1 3.3415(13) .
Mn1 Dy1 3.4105(15) 2_776
Dy1 O5 2.334(7) 2_776
Dy1 O4 2.344(6) .
Dy1 O5 2.347(6) .
Dy1 O1 2.360(6) .
Dy1 O2 2.378(5) .
Dy1 O3 2.422(6) .
Dy1 N5 2.656(7) .
Dy1 N4 2.665(9) .
Dy1 Mn1 3.4105(15) 2_776
Dy1 Dy2 3.8055(6) 2_776
Dy1 Dy2 3.8357(6) .
Dy2 O5 2.245(5) .
Dy2 O8 2.288(7) .
Dy2 O7 2.385(8) .
Dy2 O2 2.397(6) .
Dy2 O1 2.402(7) 2_776
Dy2 O6 2.403(6) .
Dy2 O9 2.464(7) .
Dy2 O10 2.509(7) .
Dy2 N6 2.911(9) .
Dy2 Dy1 3.8055(6) 2_776
C1 O1 1.356(12) .
C1 C6 1.391(13) .
C1 C2 1.391(13) .
C2 C3 1.403(15) .
C2 H2A 0.9300 .
C3 C4 1.393(16) .
C3 C7 1.519(15) .
C4 C5 1.398(15) .
C4 C8 1.521(14) .
C5 C6 1.394(15) .
C5 H5A 0.9300 .
C6 C9 1.488(14) .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 N5 1.494(12) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 N5 1.503(11) .
C10 C11 1.532(15) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 O3 1.408(10) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.494(14) .
C12 N5 1.528(13) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 N4 1.493(13) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 N4 1.487(11) .
C14 C15 1.516(13) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 O4 1.411(11) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 N4 1.478(12) .
C16 C17 1.533(14) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C22 1.399(15) .
C17 C18 1.412(15) .
C18 C19 1.445(19) .
C18 H18A 0.9300 .
C19 C20 1.37(2) .
C19 C23 1.559(19) .
C20 C21 1.366(17) .
C20 C24 1.507(17) .
C21 C22 1.381(13) .
C21 H21A 0.9300 .
C22 O2 1.356(12) .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 O7 1.49(2) .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C26 O6 1.457(14) .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 O8 1.446(11) .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
N1 N2 1.173(12) .
N2 N3 1.158(14) .
N6 O11 1.198(11) .
N6 O9 1.266(12) .
N6 O10 1.275(11) .
O1 Dy2 2.402(7) 2_776
O3 Mn1 2.071(7) 2_776
O5 Dy1 2.334(7) 2_776
O1W O1W' 1.28(3) .
