#------------------------------------------------------------------------------
#$Date: 2022-10-05 17:55:02 +0300 (Wed, 05 Oct 2022) $
#$Revision: 278363 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/14/7711428.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_7711428
loop_
_publ_author_name
'Oyarzabal, Itziar'
'Zabala-Lekuona, Andoni'
'Mota, Antonio J.'
'Palacios, María A'
'Rodríguez-Diéguez, Antonio'
'Lorusso, Giulia'
'Evangelisti, Marco'
'Rodríguez-Esteban, Corina'
'Brechin, Euan K.'
'Seco, José M'
'Colacio, Enrique'
_publ_section_title
;
 Magneto-thermal properties and slow magnetic relaxation in Mn(II)Ln(III)
 complexes: influence of magnetic coupling on the magneto-caloric effect.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12954
_journal_page_last               12967
_journal_paper_doi               10.1039/d2dt01869a
_journal_volume                  51
_journal_year                    2022
_chemical_formula_moiety         'C52 H74 Dy2 Mn2 N8 O20, 4(C H4 O)'
_chemical_formula_sum            'C56 H90 Dy2 Mn2 N8 O24'
_chemical_formula_weight         1694.23
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-05-16 deposited with the CCDC.	2022-08-05 downloaded from the CCDC.
;
_cell_angle_alpha                111.316(3)
_cell_angle_beta                 104.241(3)
_cell_angle_gamma                98.203(3)
_cell_formula_units_Z            1
_cell_length_a                   10.702(2)
_cell_length_b                   12.462(3)
_cell_length_c                   14.270(3)
_cell_measurement_reflns_used    2831
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      21.991
_cell_measurement_theta_min      2.716
_cell_volume                     1660.7(6)
_computing_cell_refinement       'Bruker Apex II'
_computing_data_collection       'Bruker Apex II'
_computing_data_reduction        'Bruker Apex II'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_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_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0651
_diffrn_reflns_av_unetI/netI     0.0789
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_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            16073
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.619
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.678
_exptl_absorpt_correction_T_max  0.7786
_exptl_absorpt_correction_T_min  0.6611
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0535 before and 0.0423 after correction.
The Ratio of minimum to maximum transmission is 0.8491.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.694
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prismatic
_exptl_crystal_F_000             856
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.873
_refine_diff_density_min         -0.884
_refine_diff_density_rms         0.157
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     426
_refine_ls_number_reflns         5813
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.0645
_refine_ls_R_factor_gt           0.0457
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0531P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0975
_refine_ls_wR_factor_ref         0.1052
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4633
_reflns_number_total             5813
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt01869a2.cif
_cod_data_source_block           Compound9
_cod_original_cell_volume        1660.6(6)
_cod_database_code               7711428
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 0.37749(10) 0.14120(8) 0.29835(7) 0.0181(2) Uani 1 1 d . . . . .
Dy1 Dy 0.62635(3) 0.39225(3) 0.49208(2) 0.01805(11) Uani 1 1 d . . . . .
C1A C 0.6673(6) 0.4564(5) 0.7570(5) 0.0225(15) Uani 1 1 d . . . . .
H1AA H 0.627138 0.498912 0.807275 0.034 Uiso 1 1 calc R U . . .
H1AB H 0.743609 0.510108 0.760105 0.034 Uiso 1 1 calc R U . . .
H1AC H 0.694711 0.393632 0.773761 0.034 Uiso 1 1 calc R U . . .
C2A C 0.4670(6) 0.3110(5) 0.6316(5) 0.0191(14) Uani 1 1 d . . . . .
C3A C 0.4365(6) 0.2098(5) 0.5365(5) 0.0187(14) Uani 1 1 d . . . . .
C4A C 0.3399(6) 0.1121(5) 0.5198(5) 0.0193(15) Uani 1 1 d . . . . .
C5A C 0.2689(6) 0.1198(6) 0.5910(5) 0.0207(15) Uani 1 1 d . . . . .
H5A H 0.202207 0.054005 0.576895 0.025 Uiso 1 1 calc R U . . .
C6A C 0.2949(7) 0.2230(6) 0.6823(5) 0.0223(15) Uani 1 1 d . . . . .
C8A C 0.2131(7) 0.2323(6) 0.7563(5) 0.0292(17) Uani 1 1 d . . . . .
H8AA H 0.135818 0.258082 0.732188 0.044 Uiso 1 1 calc R U . . .
H8AB H 0.266016 0.288870 0.826836 0.044 Uiso 1 1 calc R U . . .
H8AC H 0.185493 0.155729 0.756672 0.044 Uiso 1 1 calc R U . . .
C7A C 0.4000(6) 0.3187(6) 0.7039(5) 0.0217(15) Uani 1 1 d . . . . .
H7A H 0.424523 0.387088 0.766770 0.026 Uiso 1 1 calc R U . . .
C9A C 0.3210(7) -0.0055(5) 0.4299(5) 0.0234(15) Uani 1 1 d . . . . .
H9AA H 0.407506 -0.022182 0.433764 0.028 Uiso 1 1 calc R U . . .
H9AB H 0.266885 -0.067320 0.439870 0.028 Uiso 1 1 calc R U . . .
C10A C 0.1159(6) -0.0128(6) 0.3079(5) 0.0261(16) Uani 1 1 d . . . . .
H10A H 0.073324 -0.075489 0.322294 0.039 Uiso 1 1 calc R U . . .
H10B H 0.071800 -0.025138 0.236179 0.039 Uiso 1 1 calc R U . . .
H10C H 0.110805 0.062570 0.356153 0.039 Uiso 1 1 calc R U . . .
C11A C 0.2674(7) -0.1277(5) 0.2458(5) 0.0253(16) Uani 1 1 d . . . . .
H11A H 0.203822 -0.148849 0.176346 0.030 Uiso 1 1 calc R U . . .
H11B H 0.244170 -0.189938 0.268735 0.030 Uiso 1 1 calc R U . . .
C12A C 0.4053(7) -0.1207(6) 0.2370(5) 0.0280(17) Uani 1 1 d . . . . .
H12A H 0.468254 -0.105429 0.305085 0.034 Uiso 1 1 calc R U . . .
H12B H 0.407122 -0.196401 0.185274 0.034 Uiso 1 1 calc R U . . .
C13A C 0.5921(7) 0.0094(6) 0.2300(6) 0.0311(17) Uani 1 1 d . . . . .
H13A H 0.620841 -0.059027 0.193729 0.047 Uiso 1 1 calc R U . . .
H13B H 0.633600 0.037745 0.305292 0.047 Uiso 1 1 calc R U . . .
H13C H 0.617010 0.071109 0.207852 0.047 Uiso 1 1 calc R U . . .
C14A C 0.3801(7) -0.0669(5) 0.0884(5) 0.0225(15) Uani 1 1 d . . . . .
H14A H 0.291842 -0.118016 0.067909 0.027 Uiso 1 1 calc R U . . .
H14B H 0.431390 -0.113456 0.050315 0.027 Uiso 1 1 calc R U . . .
C15A C 0.3690(7) 0.0379(5) 0.0588(5) 0.0224(15) Uani 1 1 d . . . . .
H15A H 0.457562 0.084547 0.073033 0.027 Uiso 1 1 calc R U . . .
H15B H 0.321551 0.008213 -0.016621 0.027 Uiso 1 1 calc R U . . .
C16A C 0.1540(6) 0.0591(6) 0.0780(5) 0.0239(15) Uani 1 1 d . . . . .
H16A H 0.120201 0.047236 0.005096 0.036 Uiso 1 1 calc R U . . .
H16B H 0.110317 0.110530 0.119156 0.036 Uiso 1 1 calc R U . . .
H16C H 0.137235 -0.016300 0.082489 0.036 Uiso 1 1 calc R U . . .
C17A C 0.3183(6) 0.2300(5) 0.1106(5) 0.0207(15) Uani 1 1 d . . . . .
H17A H 0.277371 0.281190 0.156144 0.025 Uiso 1 1 calc R U . . .
H17B H 0.271759 0.215988 0.037996 0.025 Uiso 1 1 calc R U . . .
C18A C 0.4614(6) 0.2952(5) 0.1393(5) 0.0186(14) Uani 1 1 d . . . . .
C19A C 0.5493(7) 0.3293(5) 0.2405(5) 0.0191(15) Uani 1 1 d . . . . .
C20A C 0.6741(6) 0.4088(5) 0.2709(5) 0.0181(14) Uani 1 1 d . . . . .
C25A C 0.8698(7) 0.5439(6) 0.4141(6) 0.0303(17) Uani 1 1 d . . . . .
H25A H 0.929403 0.511663 0.377664 0.045 Uiso 1 1 calc R U . . .
H25B H 0.910581 0.569561 0.489173 0.045 Uiso 1 1 calc R U . . .
H25C H 0.851253 0.610511 0.399788 0.045 Uiso 1 1 calc R U . . .
C21A C 0.7164(7) 0.4400(5) 0.1971(5) 0.0227(15) Uani 1 1 d . . . . .
H21A H 0.801594 0.488200 0.217192 0.027 Uiso 1 1 calc R U . . .
C22A C 0.6309(7) 0.3987(5) 0.0935(5) 0.0242(16) Uani 1 1 d . . . . .
C24A C 0.6769(8) 0.4299(6) 0.0123(5) 0.0336(18) Uani 1 1 d . . . . .
H24A H 0.731691 0.379248 -0.013728 0.050 Uiso 1 1 calc R U . . .
H24B H 0.727540 0.511601 0.044817 0.050 Uiso 1 1 calc R U . . .
H24C H 0.600664 0.418499 -0.045796 0.050 Uiso 1 1 calc R U . . .
C23A C 0.5041(7) 0.3298(5) 0.0671(5) 0.0218(15) Uani 1 1 d . . . . .
H23A H 0.444993 0.305595 -0.000996 0.026 Uiso 1 1 calc R U . . .
N1A N 0.2575(5) -0.0132(4) 0.3220(4) 0.0216(13) Uani 1 1 d . . . . .
N2A N 0.4459(6) -0.0239(4) 0.2039(4) 0.0229(13) Uani 1 1 d . . . . .
N3A N 0.2981(5) 0.1140(4) 0.1194(4) 0.0215(13) Uani 1 1 d . . . . .
O1A O 0.5719(4) 0.4059(3) 0.6515(3) 0.0198(10) Uani 1 1 d . . . . .
O2A O 0.5018(4) 0.2081(3) 0.4656(3) 0.0183(10) Uani 1 1 d . . . . .
O3A O 0.5203(4) 0.2959(3) 0.3145(3) 0.0195(10) Uani 1 1 d . . . . .
O4A O 0.7470(4) 0.4533(4) 0.3774(3) 0.0204(10) Uani 1 1 d . . . . .
N1C N 0.8335(6) 0.2673(5) 0.5285(5) 0.0289(14) Uani 1 1 d . . . . .
O2C O 0.7973(5) 0.3306(4) 0.6051(4) 0.0281(11) Uani 1 1 d . . . . .
O1C O 0.7781(5) 0.2654(4) 0.4389(4) 0.0298(11) Uani 1 1 d . . . . .
O3C O 0.9165(5) 0.2114(4) 0.5406(4) 0.0349(13) Uani 1 1 d . . . . .
C1P C 0.7170(7) 0.6416(6) 0.6083(5) 0.0200(15) Uani 1 1 d . . . . .
O1P O 0.2445(4) 0.2489(3) 0.3335(3) 0.0196(10) Uani 1 1 d . . . . .
O2P O 0.6004(4) 0.5894(3) 0.5343(3) 0.0201(10) Uani 1 1 d . . . . .
O3P O 0.7911(4) 0.5686(3) 0.6185(3) 0.0193(10) Uani 1 1 d . . . . .
C1M C 0.9061(8) 0.2287(6) 0.2300(6) 0.040(2) Uani 1 1 d . . . . .
H1MA H 0.948752 0.165072 0.225646 0.060 Uiso 1 1 calc R U . . .
H1MB H 0.819201 0.197721 0.177334 0.060 Uiso 1 1 calc R U . . .
H1MC H 0.897639 0.263936 0.299401 0.060 Uiso 1 1 calc R U . . .
O1M O 0.9859(5) 0.3184(5) 0.2112(4) 0.0384(13) Uani 1 1 d . . . . .
H1M H 1.059531 0.345988 0.257058 0.058 Uiso 1 1 calc R U . . .
C2M C 1.0291(8) 0.3420(7) -0.0122(7) 0.051(2) Uani 1 1 d . . . . .
H2MA H 1.016819 0.415742 0.032865 0.076 Uiso 1 1 calc R U . . .
H2MB H 0.995139 0.329983 -0.085068 0.076 Uiso 1 1 calc R U . . .
H2MC H 1.122449 0.344886 0.005879 0.076 Uiso 1 1 calc R U . . .
O2M O 0.9612(6) 0.2487(4) 0.0020(4) 0.0440(14) Uani 1 1 d . . . . .
H2M H 0.961731 0.271731 0.063740 0.066 Uiso 1 1 calc R U . . .
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'
Dy Dy -0.1892 4.4098 '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'
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'
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
_geom_angle_publ_flag
O1P Mn1 O3A 89.31(16) . . ?
O1P Mn1 O2A 93.82(16) . . ?
O3A Mn1 O2A 78.87(15) . . ?
O1P Mn1 N1A 93.09(17) . . ?
O3A Mn1 N1A 166.32(17) . . ?
O2A Mn1 N1A 87.53(17) . . ?
O1P Mn1 N2A 157.02(18) . . ?
O3A Mn1 N2A 105.07(17) . . ?
O2A Mn1 N2A 106.34(17) . . ?
N1A Mn1 N2A 77.21(18) . . ?
O1P Mn1 N3A 89.01(17) . . ?
O3A Mn1 N3A 83.39(17) . . ?
O2A Mn1 N3A 161.98(17) . . ?
N1A Mn1 N3A 110.11(18) . . ?
N2A Mn1 N3A 75.28(18) . . ?
O1P Mn1 Dy1 85.05(12) . . ?
O3A Mn1 Dy1 39.03(11) . . ?
O2A Mn1 Dy1 40.85(10) . . ?
N1A Mn1 Dy1 127.77(13) . . ?
N2A Mn1 Dy1 117.42(14) . . ?
N3A Mn1 Dy1 122.01(13) . . ?
O3A Dy1 O2A 74.52(14) . . ?
O3A Dy1 O3P 140.27(14) . . ?
O2A Dy1 O3P 144.69(14) . . ?
O3A Dy1 O2P 103.79(14) . . ?
O2A Dy1 O2P 137.70(15) . . ?
O3P Dy1 O2P 55.13(14) . . ?
O3A Dy1 O2P 74.31(14) . 2_666 ?
O2A Dy1 O2P 74.92(14) . 2_666 ?
O3P Dy1 O2P 114.24(14) . 2_666 ?
O2P Dy1 O2P 64.41(17) . 2_666 ?
O3A Dy1 O1A 135.77(14) . . ?
O2A Dy1 O1A 69.62(14) . . ?
O3P Dy1 O1A 80.71(14) . . ?
O2P Dy1 O1A 86.70(14) . . ?
O2P Dy1 O1A 72.08(14) 2_666 . ?
O3A Dy1 O1C 79.65(15) . . ?
O2A Dy1 O1C 79.71(15) . . ?
O3P Dy1 O1C 98.19(15) . . ?
O2P Dy1 O1C 142.40(15) . . ?
O2P Dy1 O1C 147.52(15) 2_666 . ?
O1A Dy1 O1C 117.28(14) . . ?
O3A Dy1 O2C 127.24(15) . . ?
O2A Dy1 O2C 79.18(14) . . ?
O3P Dy1 O2C 72.85(14) . . ?
O2P Dy1 O2C 125.88(15) . . ?
O2P Dy1 O2C 139.57(14) 2_666 . ?
O1A Dy1 O2C 70.03(15) . . ?
O1C Dy1 O2C 50.87(15) . . ?
O3A Dy1 O4A 65.12(14) . . ?
O2A Dy1 O4A 131.40(14) . . ?
O3P Dy1 O4A 77.26(14) . . ?
O2P Dy1 O4A 79.68(14) . . ?
O2P Dy1 O4A 116.16(13) 2_666 . ?
O1A Dy1 O4A 157.93(14) . . ?
O1C Dy1 O4A 67.77(14) . . ?
O2C Dy1 O4A 104.26(14) . . ?
O3A Dy1 C1P 125.50(16) . . ?
O2A Dy1 C1P 150.12(16) . . ?
O3P Dy1 C1P 27.60(16) . . ?
O2P Dy1 C1P 27.58(16) . . ?
O2P Dy1 C1P 88.79(17) 2_666 . ?
O1A Dy1 C1P 81.68(15) . . ?
O1C Dy1 C1P 122.52(17) . . ?
O2C Dy1 C1P 99.14(16) . . ?
O4A Dy1 C1P 78.20(15) . . ?
O3A Dy1 N1C 103.19(16) . . ?
O2A Dy1 N1C 77.77(14) . . ?
O3P Dy1 N1C 85.75(15) . . ?
O2P Dy1 N1C 140.33(15) . . ?
O2P Dy1 N1C 152.22(14) 2_666 . ?
O1A Dy1 N1C 93.77(15) . . ?
O1C Dy1 N1C 25.17(15) . . ?
O2C Dy1 N1C 25.71(15) . . ?
O4A Dy1 N1C 85.98(15) . . ?
C1P Dy1 N1C 113.27(17) . . ?
O3A Dy1 Mn1 37.36(10) . . ?
O2A Dy1 Mn1 38.09(10) . . ?
O3P Dy1 Mn1 176.95(10) . . ?
O2P Dy1 Mn1 122.20(11) . . ?
O2P Dy1 Mn1 64.11(10) 2_666 . ?
O1A Dy1 Mn1 100.90(10) . . ?
O1C Dy1 Mn1 83.41(11) . . ?
O2C Dy1 Mn1 110.11(10) . . ?
O4A Dy1 Mn1 101.05(10) . . ?
C1P Dy1 Mn1 149.78(13) . . ?
N1C Dy1 Mn1 96.70(11) . . ?
C7A C2A O1A 120.6(5) . . ?
C7A C2A C3A 122.9(6) . . ?
O1A C2A C3A 116.5(5) . . ?
O2A C3A C4A 122.2(6) . . ?
O2A C3A C2A 120.8(6) . . ?
C4A C3A C2A 117.0(6) . . ?
C3A C4A C5A 120.5(6) . . ?
C3A C4A C9A 119.2(6) . . ?
C5A C4A C9A 120.0(6) . . ?
C6A C5A C4A 121.9(6) . . ?
C5A C6A C7A 117.6(6) . . ?
C5A C6A C8A 121.4(6) . . ?
C7A C6A C8A 120.9(6) . . ?
C2A C7A C6A 119.8(6) . . ?
N1A C9A C4A 115.3(5) . . ?
N1A C11A C12A 112.0(5) . . ?
N2A C12A C11A 110.8(5) . . ?
N2A C14A C15A 110.3(5) . . ?
N3A C15A C14A 111.1(5) . . ?
N3A C17A C18A 115.5(5) . . ?
C19A C18A C23A 119.4(6) . . ?
C19A C18A C17A 120.1(5) . . ?
C23A C18A C17A 120.3(6) . . ?
O3A C19A C18A 124.1(6) . . ?
O3A C19A C20A 117.4(6) . . ?
C18A C19A C20A 118.4(6) . . ?
O4A C20A C21A 124.1(6) . . ?
O4A C20A C19A 114.8(5) . . ?
C21A C20A C19A 121.0(6) . . ?
C22A C21A C20A 119.9(6) . . ?
C23A C22A C21A 118.6(6) . . ?
C23A C22A C24A 121.1(6) . . ?
C21A C22A C24A 120.3(6) . . ?
C22A C23A C18A 122.2(6) . . ?
C10A N1A C11A 110.2(5) . . ?
C10A N1A C9A 108.8(5) . . ?
C11A N1A C9A 106.5(5) . . ?
C10A N1A Mn1 113.5(4) . . ?
C11A N1A Mn1 108.0(4) . . ?
C9A N1A Mn1 109.6(4) . . ?
C13A N2A C14A 110.3(5) . . ?
C13A N2A C12A 110.1(5) . . ?
C14A N2A C12A 108.6(5) . . ?
C13A N2A Mn1 109.3(4) . . ?
C14A N2A Mn1 110.8(4) . . ?
C12A N2A Mn1 107.6(4) . . ?
C16A N3A C15A 111.2(5) . . ?
C16A N3A C17A 107.2(5) . . ?
C15A N3A C17A 109.9(5) . . ?
C16A N3A Mn1 108.4(4) . . ?
C15A N3A Mn1 108.8(4) . . ?
C17A N3A Mn1 111.2(4) . . ?
C2A O1A C1A 114.7(4) . . ?
C2A O1A Dy1 112.8(3) . . ?
C1A O1A Dy1 124.6(4) . . ?
C3A O2A Mn1 116.5(4) . . ?
C3A O2A Dy1 116.0(3) . . ?
Mn1 O2A Dy1 101.06(15) . . ?
C19A O3A Mn1 131.1(4) . . ?
C19A O3A Dy1 125.2(4) . . ?
Mn1 O3A Dy1 103.60(16) . . ?
C20A O4A C25A 116.7(5) . . ?
C20A O4A Dy1 115.1(3) . . ?
C25A O4A Dy1 127.2(4) . . ?
O3C N1C O1C 121.5(6) . . ?
O3C N1C O2C 122.5(6) . . ?
O1C N1C O2C 116.0(5) . . ?
O3C N1C Dy1 177.6(5) . . ?
O1C N1C Dy1 57.0(3) . . ?
O2C N1C Dy1 59.0(3) . . ?
N1C O2C Dy1 95.3(4) . . ?
N1C O1C Dy1 97.8(4) . . ?
O1P C1P O2P 123.9(6) 2_666 . ?
O1P C1P O3P 121.9(6) 2_666 . ?
O2P C1P O3P 114.2(5) . . ?
O1P C1P Dy1 175.2(4) 2_666 . ?
O2P C1P Dy1 57.3(3) . . ?
O3P C1P Dy1 57.0(3) . . ?
C1P O1P Mn1 123.0(4) 2_666 . ?
C1P O2P Dy1 95.1(3) . . ?
C1P O2P Dy1 137.7(4) . 2_666 ?
Dy1 O2P Dy1 115.59(17) . 2_666 ?
C1P O3P Dy1 95.4(4) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mn1 O1P 2.117(4) . ?
Mn1 O3A 2.184(4) . ?
Mn1 O2A 2.199(4) . ?
Mn1 N1A 2.333(5) . ?
Mn1 N2A 2.341(5) . ?
Mn1 N3A 2.362(5) . ?
Mn1 Dy1 3.4979(11) . ?
Dy1 O3A 2.266(4) . ?
Dy1 O2A 2.331(4) . ?
Dy1 O3P 2.375(4) . ?
Dy1 O2P 2.382(4) . ?
Dy1 O2P 2.420(4) 2_666 ?
Dy1 O1A 2.437(4) . ?
Dy1 O1C 2.485(5) . ?
Dy1 O2C 2.528(4) . ?
Dy1 O4A 2.567(4) . ?
Dy1 C1P 2.819(6) . ?
Dy1 N1C 2.936(6) . ?
C1A O1A 1.441(7) . ?
C2A C7A 1.378(9) . ?
C2A O1A 1.400(7) . ?
C2A C3A 1.400(9) . ?
C3A O2A 1.360(7) . ?
C3A C4A 1.385(8) . ?
C4A C5A 1.396(9) . ?
C4A C9A 1.502(8) . ?
C5A C6A 1.389(9) . ?
C6A C7A 1.401(9) . ?
C6A C8A 1.512(9) . ?
C9A N1A 1.484(8) . ?
C10A N1A 1.479(8) . ?
C11A N1A 1.484(8) . ?
C11A C12A 1.505(9) . ?
C12A N2A 1.494(8) . ?
C13A N2A 1.475(8) . ?
C14A N2A 1.476(8) . ?
C14A C15A 1.523(8) . ?
C15A N3A 1.468(8) . ?
C16A N3A 1.467(8) . ?
C17A N3A 1.486(7) . ?
C17A C18A 1.505(9) . ?
C18A C19A 1.387(9) . ?
C18A C23A 1.399(8) . ?
C19A O3A 1.351(7) . ?
C19A C20A 1.407(9) . ?
C20A O4A 1.381(7) . ?
C20A C21A 1.394(9) . ?
C25A O4A 1.444(8) . ?
C21A C22A 1.391(9) . ?
C22A C23A 1.379(9) . ?
C22A C24A 1.513(9) . ?
N1C O3C 1.221(7) . ?
N1C O1C 1.261(7) . ?
N1C O2C 1.279(7) . ?
C1P O1P 1.253(7) 2_666 ?
C1P O2P 1.310(7) . ?
C1P O3P 1.312(7) . ?
C1M O1M 1.452(8) . ?
C2M O2M 1.387(8) . ?
