#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/35/7033557.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_7033557
loop_
_publ_author_name
'Li, Xiao-Lei'
'Min, Fan-Yong'
'Wang, Chao'
'Lin, Shuang-Yan'
'Liu, Zhiliang'
'Tang, Jinkui'
_publ_section_title
;
 [Ln(III)-Mn(II)-Ln(III)] heterometallic compounds: rare linear SMMs with
 divalent manganese ions.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3430
_journal_page_last               3438
_journal_paper_doi               10.1039/c4dt03713h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C28 H20 Dy Mn0.5 O8'
_chemical_formula_weight         674.41
_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
_audit_update_record
;
2014-08-16 deposited with the CCDC.
2015-01-07 downloaded from the CCDC.
;
_cell_angle_alpha                95.808(2)
_cell_angle_beta                 113.305(2)
_cell_angle_gamma                93.734(2)
_cell_formula_units_Z            2
_cell_length_a                   10.0369(11)
_cell_length_b                   11.0999(12)
_cell_length_c                   12.0690(13)
_cell_measurement_reflns_used    2817
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      24.56
_cell_measurement_theta_min      2.22
_cell_volume                     1220.4(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'CCD area detector'
_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     0.71073
_diffrn_reflns_av_R_equivalents  0.0285
_diffrn_reflns_av_sigmaI/netI    0.0633
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6201
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.86
_exptl_absorpt_coefficient_mu    3.360
_exptl_absorpt_correction_T_max  0.7748
_exptl_absorpt_correction_T_min  0.6505
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   crystalclear
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             661
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.799
_refine_diff_density_min         -0.539
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     340
_refine_ls_number_reflns         4244
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0541
_refine_ls_R_factor_gt           0.0393
_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)+(0.0338P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0764
_refine_ls_wR_factor_ref         0.0824
_reflns_number_gt                3436
_reflns_number_total             4244
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt03713h2.cif
_cod_data_source_block           mfy121213_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'multi_scan' changed to
'multi-scan' 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 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 7033555--7033559.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C28 H20 Dy Mn0.50 O8'
_cod_database_code               7033557
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
C1 C 0.9051(6) 0.1163(5) 0.8529(5) 0.0378(14) Uani 1 1 d .
C2 C 1.0484(7) 0.0866(6) 0.9094(6) 0.0534(18) Uani 1 1 d .
H2 H 1.1050 0.1197 0.9898 0.064 Uiso 1 1 calc R
C3 C 1.1057(7) 0.0115(6) 0.8500(7) 0.0544(18) Uani 1 1 d .
H3 H 1.1996 -0.0095 0.8895 0.065 Uiso 1 1 calc R
C4 C 1.0219(7) -0.0346(6) 0.7279(6) 0.0496(17) Uani 1 1 d .
H4 H 1.0618 -0.0846 0.6854 0.060 Uiso 1 1 calc R
C5 C 0.8819(7) -0.0074(5) 0.6698(6) 0.0414(15) Uani 1 1 d .
H5 H 0.8292 -0.0380 0.5880 0.050 Uiso 1 1 calc R
C6 C 0.8161(7) 0.0661(5) 0.7315(5) 0.0369(14) Uani 1 1 d .
C7 C 0.8586(8) 0.2022(6) 0.9226(6) 0.0513(17) Uani 1 1 d .
H7 H 0.9268 0.2324 1.0007 0.062 Uiso 1 1 calc R
C8 C 0.3348(7) 0.3082(6) 0.8892(6) 0.0413(16) Uani 1 1 d .
C9 C 0.3599(8) 0.3896(6) 0.9929(6) 0.0517(18) Uani 1 1 d .
H9 H 0.4481 0.3956 1.0607 0.062 Uiso 1 1 calc R
C10 C 0.2529(9) 0.4613(6) 0.9946(6) 0.0559(19) Uani 1 1 d .
H10 H 0.2734 0.5184 1.0629 0.067 Uiso 1 1 calc R
C11 C 0.1181(8) 0.4522(6) 0.9005(6) 0.0556(19) Uani 1 1 d .
H11 H 0.0470 0.4989 0.9066 0.067 Uiso 1 1 calc R
C12 C 0.0899(8) 0.3728(6) 0.7966(6) 0.0546(18) Uani 1 1 d .
H12 H -0.0009 0.3659 0.7316 0.066 Uiso 1 1 calc R
C13 C 0.1993(7) 0.3011(6) 0.7883(6) 0.0417(15) Uani 1 1 d .
C14 C 0.1632(8) 0.2222(6) 0.6781(6) 0.0524(18) Uani 1 1 d .
H14 H 0.0665 0.2147 0.6220 0.063 Uiso 1 1 calc R
C15 C 0.3429(6) -0.1277(5) 0.6519(5) 0.0339(14) Uani 1 1 d .
C16 C 0.2391(7) -0.2088(6) 0.5583(6) 0.0460(16) Uani 1 1 d .
H16 H 0.2182 -0.1977 0.4780 0.055 Uiso 1 1 calc R
C17 C 0.1660(8) -0.3059(6) 0.5820(7) 0.061(2) Uani 1 1 d .
H17 H 0.0930 -0.3566 0.5176 0.073 Uiso 1 1 calc R
C18 C 0.2001(9) -0.3288(7) 0.7003(8) 0.064(2) Uani 1 1 d .
H18 H 0.1498 -0.3940 0.7153 0.077 Uiso 1 1 calc R
C19 C 0.3066(8) -0.2559(6) 0.7933(7) 0.0544(19) Uani 1 1 d .
H19 H 0.3317 -0.2732 0.8724 0.065 Uiso 1 1 calc R
C20 C 0.3814(7) -0.1533(6) 0.7731(6) 0.0415(15) Uani 1 1 d .
C21 C 0.4962(8) -0.0838(7) 0.8755(6) 0.0490(18) Uani 1 1 d .
H21 H 0.5244 -0.1168 0.9481 0.059 Uiso 1 1 calc R
C22 C 0.3876(6) 0.2627(5) 0.4661(6) 0.0390(15) Uani 1 1 d .
C23 C 0.3382(7) 0.2360(6) 0.3375(6) 0.0444(16) Uani 1 1 d .
H23 H 0.3533 0.1617 0.3040 0.053 Uiso 1 1 calc R
C24 C 0.2692(7) 0.3166(6) 0.2621(6) 0.0535(18) Uani 1 1 d .
H24 H 0.2352 0.2949 0.1783 0.064 Uiso 1 1 calc R
C25 C 0.2485(9) 0.4307(7) 0.3078(8) 0.070(2) Uani 1 1 d .
H25 H 0.2000 0.4844 0.2552 0.084 Uiso 1 1 calc R
C26 C 0.3000(8) 0.4624(7) 0.4296(7) 0.065(2) Uani 1 1 d .
H26 H 0.2887 0.5395 0.4606 0.079 Uiso 1 1 calc R
C27 C 0.3711(8) 0.3804(6) 0.5116(6) 0.0473(17) Uani 1 1 d .
C28 C 0.4343(8) 0.4256(6) 0.6393(7) 0.0564(19) Uani 1 1 d .
H28 H 0.4233 0.5061 0.6604 0.068 Uiso 1 1 calc R
Dy1 Dy 0.50371(3) 0.16232(3) 0.74154(3) 0.03615(11) Uani 1 1 d .
Mn1 Mn 0.5000 0.0000 0.5000 0.0332(3) Uani 1 2 d S
O1 O 0.4079(4) -0.0318(3) 0.6300(3) 0.0356(9) Uani 1 1 d .
O2 O 0.5629(5) 0.0145(4) 0.8798(4) 0.0524(12) Uani 1 1 d .
O3 O 0.6796(4) 0.0846(4) 0.6770(3) 0.0382(10) Uani 1 1 d .
O4 O 0.7388(5) 0.2408(4) 0.8915(4) 0.0542(12) Uani 1 1 d .
O5 O 0.4482(4) 0.1816(3) 0.5358(3) 0.0361(10) Uani 1 1 d .
O6 O 0.5007(5) 0.3708(4) 0.7234(4) 0.0512(12) Uani 1 1 d .
O7 O 0.4352(5) 0.2393(4) 0.8872(4) 0.0459(11) Uani 1 1 d .
O8 O 0.2465(5) 0.1624(4) 0.6486(4) 0.0499(12) Uani 1 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'
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'
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
C2 C1 C6 120.4(6) . .
C2 C1 C7 116.7(6) . .
C6 C1 C7 122.9(6) . .
C3 C2 C1 121.6(6) . .
C3 C2 H2 119.2 . .
C1 C2 H2 119.2 . .
C2 C3 C4 118.9(6) . .
C2 C3 H3 120.6 . .
C4 C3 H3 120.6 . .
C5 C4 C3 121.1(6) . .
C5 C4 H4 119.5 . .
C3 C4 H4 119.5 . .
C4 C5 C6 121.3(6) . .
C4 C5 H5 119.3 . .
C6 C5 H5 119.3 . .
O3 C6 C1 123.0(5) . .
O3 C6 C5 120.5(6) . .
C1 C6 C5 116.5(6) . .
O4 C7 C1 127.6(6) . .
O4 C7 H7 116.2 . .
C1 C7 H7 116.2 . .
O7 C8 C9 120.0(6) . .
O7 C8 C13 121.4(6) . .
C9 C8 C13 118.6(6) . .
C10 C9 C8 119.6(7) . .
C10 C9 H9 120.2 . .
C8 C9 H9 120.2 . .
C11 C10 C9 123.0(7) . .
C11 C10 H10 118.5 . .
C9 C10 H10 118.5 . .
C10 C11 C12 118.7(6) . .
C10 C11 H11 120.6 . .
C12 C11 H11 120.6 . .
C11 C12 C13 120.2(7) . .
C11 C12 H12 119.9 . .
C13 C12 H12 119.9 . .
C8 C13 C14 123.1(6) . .
C8 C13 C12 119.7(6) . .
C14 C13 C12 117.2(6) . .
O8 C14 C13 126.9(6) . .
O8 C14 H14 116.5 . .
C13 C14 H14 116.5 . .
O1 C15 C16 121.4(5) . .
O1 C15 C20 120.6(6) . .
C16 C15 C20 117.9(6) . .
C17 C16 C15 121.2(6) . .
C17 C16 H16 119.4 . .
C15 C16 H16 119.4 . .
C16 C17 C18 120.8(7) . .
C16 C17 H17 119.6 . .
C18 C17 H17 119.6 . .
C19 C18 C17 119.5(7) . .
C19 C18 H18 120.2 . .
C17 C18 H18 120.2 . .
C18 C19 C20 121.3(7) . .
C18 C19 H19 119.3 . .
C20 C19 H19 119.3 . .
C19 C20 C21 117.8(6) . .
C19 C20 C15 119.0(6) . .
C21 C20 C15 123.1(6) . .
O2 C21 C20 127.9(6) . .
O2 C21 H21 116.1 . .
C20 C21 H21 116.1 . .
O5 C22 C27 123.4(6) . .
O5 C22 C23 120.2(5) . .
C27 C22 C23 116.3(6) . .
C24 C23 C22 121.6(6) . .
C24 C23 H23 119.2 . .
C22 C23 H23 119.2 . .
C23 C24 C25 121.4(7) . .
C23 C24 H24 119.3 . .
C25 C24 H24 119.3 . .
C26 C25 C24 119.1(7) . .
C26 C25 H25 120.5 . .
C24 C25 H25 120.5 . .
C25 C26 C27 121.3(7) . .
C25 C26 H26 119.3 . .
C27 C26 H26 119.3 . .
C22 C27 C26 120.1(6) . .
C22 C27 C28 122.2(6) . .
C26 C27 C28 117.5(6) . .
O6 C28 C27 127.6(6) . .
O6 C28 H28 116.2 . .
C27 C28 H28 116.2 . .
O7 Dy1 O1 122.03(14) . .
O7 Dy1 O6 75.84(15) . .
O1 Dy1 O6 142.27(14) . .
O7 Dy1 O5 137.15(14) . .
O1 Dy1 O5 73.17(13) . .
O6 Dy1 O5 72.66(14) . .
O7 Dy1 O3 151.69(14) . .
O1 Dy1 O3 71.53(13) . .
O6 Dy1 O3 109.32(15) . .
O5 Dy1 O3 68.20(13) . .
O7 Dy1 O8 73.21(15) . .
O1 Dy1 O8 73.49(14) . .
O6 Dy1 O8 82.35(16) . .
O5 Dy1 O8 74.44(14) . .
O3 Dy1 O8 134.47(14) . .
O7 Dy1 O4 81.91(15) . .
O1 Dy1 O4 132.18(15) . .
O6 Dy1 O4 79.50(16) . .
O5 Dy1 O4 119.15(14) . .
O3 Dy1 O4 72.12(14) . .
O8 Dy1 O4 152.13(15) . .
O7 Dy1 O2 77.03(15) . .
O1 Dy1 O2 71.38(14) . .
O6 Dy1 O2 145.51(15) . .
O5 Dy1 O2 141.12(14) . .
O3 Dy1 O2 85.74(14) . .
O8 Dy1 O2 109.55(16) . .
O4 Dy1 O2 75.95(16) . .
O5 Mn1 O5 180.000(1) 2_656 .
O5 Mn1 O1 99.04(14) 2_656 .
O5 Mn1 O1 80.96(14) . .
O5 Mn1 O1 80.96(14) 2_656 2_656
O5 Mn1 O1 99.04(14) . 2_656
O1 Mn1 O1 180.000(1) . 2_656
O5 Mn1 O3 105.93(14) 2_656 .
O5 Mn1 O3 74.07(14) . .
O1 Mn1 O3 77.57(14) . .
O1 Mn1 O3 102.43(14) 2_656 .
O5 Mn1 O3 74.07(14) 2_656 2_656
O5 Mn1 O3 105.93(14) . 2_656
O1 Mn1 O3 102.43(14) . 2_656
O1 Mn1 O3 77.57(14) 2_656 2_656
O3 Mn1 O3 180.0 . 2_656
O5 Mn1 Dy1 46.35(10) 2_656 2_656
O5 Mn1 Dy1 133.65(10) . 2_656
O1 Mn1 Dy1 133.95(10) . 2_656
O1 Mn1 Dy1 46.05(10) 2_656 2_656
O3 Mn1 Dy1 133.23(9) . 2_656
O3 Mn1 Dy1 46.77(9) 2_656 2_656
C15 O1 Mn1 134.6(3) . .
C15 O1 Dy1 132.2(3) . .
Mn1 O1 Dy1 92.44(14) . .
C21 O2 Dy1 130.5(4) . .
C6 O3 Mn1 132.6(4) . .
C6 O3 Dy1 135.0(4) . .
Mn1 O3 Dy1 89.71(13) . .
C7 O4 Dy1 132.6(4) . .
C22 O5 Mn1 133.5(4) . .
C22 O5 Dy1 133.6(4) . .
Mn1 O5 Dy1 92.15(13) . .
C28 O6 Dy1 132.5(4) . .
C8 O7 Dy1 134.3(4) . .
C14 O8 Dy1 131.4(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.405(8) .
C1 C6 1.410(8) .
C1 C7 1.429(8) .
C2 C3 1.345(9) .
C2 H2 0.9300 .
C3 C4 1.397(9) .
C3 H3 0.9300 .
C4 C5 1.369(8) .
C4 H4 0.9300 .
C5 C6 1.412(8) .
C5 H5 0.9300 .
C6 O3 1.305(7) .
C7 O4 1.229(7) .
C7 H7 0.9300 .
C8 O7 1.310(7) .
C8 C9 1.392(8) .
C8 C13 1.412(9) .
C9 C10 1.384(9) .
C9 H9 0.9300 .
C10 C11 1.369(9) .
C10 H10 0.9300 .
C11 C12 1.375(9) .
C11 H11 0.9300 .
C12 C13 1.427(9) .
C12 H12 0.9300 .
C13 C14 1.418(9) .
C14 O8 1.235(7) .
C14 H14 0.9300 .
C15 O1 1.316(6) .
C15 C16 1.382(8) .
C15 C20 1.421(8) .
C16 C17 1.381(9) .
C16 H16 0.9300 .
C17 C18 1.385(9) .
C17 H17 0.9300 .
C18 C19 1.346(10) .
C18 H18 0.9300 .
C19 C20 1.418(9) .
C19 H19 0.9300 .
C20 C21 1.419(9) .
C21 O2 1.228(7) .
C21 H21 0.9300 .
C22 O5 1.307(7) .
C22 C27 1.411(8) .
C22 C23 1.422(8) .
C23 C24 1.362(8) .
C23 H23 0.9300 .
C24 C25 1.391(10) .
C24 H24 0.9300 .
C25 C26 1.350(10) .
C25 H25 0.9300 .
C26 C27 1.423(9) .
C26 H26 0.9300 .
C27 C28 1.435(9) .
C28 O6 1.219(8) .
C28 H28 0.9300 .
Dy1 O7 2.241(4) .
Dy1 O1 2.345(4) .
Dy1 O6 2.348(4) .
Dy1 O5 2.356(4) .
Dy1 O3 2.371(4) .
Dy1 O8 2.374(4) .
Dy1 O4 2.374(5) .
Dy1 O2 2.393(4) .
Mn1 O5 2.158(4) 2_656
Mn1 O5 2.158(4) .
Mn1 O1 2.158(3) .
Mn1 O1 2.158(3) 2_656
Mn1 O3 2.241(4) .
Mn1 O3 2.241(4) 2_656
Mn1 Dy1 3.2540(4) 2_656
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
C6 C1 C2 C3 0.9(10) .
C7 C1 C2 C3 -176.7(6) .
C1 C2 C3 C4 2.1(10) .
C2 C3 C4 C5 -2.0(10) .
C3 C4 C5 C6 -1.3(10) .
C2 C1 C6 O3 175.7(5) .
C7 C1 C6 O3 -6.9(9) .
C2 C1 C6 C5 -3.9(8) .
C7 C1 C6 C5 173.5(6) .
C4 C5 C6 O3 -175.5(5) .
C4 C5 C6 C1 4.1(9) .
C2 C1 C7 O4 -180.0(7) .
C6 C1 C7 O4 2.5(11) .
O7 C8 C9 C10 -179.5(6) .
C13 C8 C9 C10 -0.3(9) .
C8 C9 C10 C11 3.5(10) .
C9 C10 C11 C12 -3.5(11) .
C10 C11 C12 C13 0.4(10) .
O7 C8 C13 C14 -1.3(9) .
C9 C8 C13 C14 179.4(6) .
O7 C8 C13 C12 176.5(5) .
C9 C8 C13 C12 -2.7(9) .
C11 C12 C13 C8 2.7(10) .
C11 C12 C13 C14 -179.3(6) .
C8 C13 C14 O8 -9.8(11) .
C12 C13 C14 O8 172.3(6) .
O1 C15 C16 C17 -176.8(6) .
C20 C15 C16 C17 5.4(9) .
C15 C16 C17 C18 -3.5(10) .
C16 C17 C18 C19 -0.5(11) .
C17 C18 C19 C20 2.3(11) .
C18 C19 C20 C21 -177.5(7) .
C18 C19 C20 C15 -0.3(10) .
O1 C15 C20 C19 178.6(5) .
C16 C15 C20 C19 -3.6(8) .
O1 C15 C20 C21 -4.3(9) .
C16 C15 C20 C21 173.6(6) .
C19 C20 C21 O2 -171.2(6) .
C15 C20 C21 O2 11.6(10) .
O5 C22 C23 C24 177.3(6) .
C27 C22 C23 C24 -4.6(9) .
C22 C23 C24 C25 2.3(11) .
C23 C24 C25 C26 0.9(12) .
C24 C25 C26 C27 -1.7(12) .
O5 C22 C27 C26 -178.2(6) .
C23 C22 C27 C26 3.8(9) .
O5 C22 C27 C28 7.0(10) .
C23 C22 C27 C28 -171.0(6) .
C25 C26 C27 C22 -0.8(11) .
C25 C26 C27 C28 174.3(7) .
C22 C27 C28 O6 -4.2(12) .
C26 C27 C28 O6 -179.2(7) .
C16 C15 O1 Mn1 -42.9(8) .
C20 C15 O1 Mn1 134.8(5) .
C16 C15 O1 Dy1 149.7(4) .
C20 C15 O1 Dy1 -32.5(7) .
O5 Mn1 O1 C15 -25.8(5) 2_656
O5 Mn1 O1 C15 154.2(5) .
O1 Mn1 O1 C15 116(100) 2_656
O3 Mn1 O1 C15 -130.3(5) .
O3 Mn1 O1 C15 49.7(5) 2_656
Dy1 Mn1 O1 C15 9.3(6) 2_656
O5 Mn1 O1 Dy1 144.83(14) 2_656
O5 Mn1 O1 Dy1 -35.17(14) .
O1 Mn1 O1 Dy1 -73(100) 2_656
O3 Mn1 O1 Dy1 40.38(13) .
O3 Mn1 O1 Dy1 -139.62(13) 2_656
Dy1 Mn1 O1 Dy1 180.0 2_656
O7 Dy1 O1 C15 -20.4(5) .
O6 Dy1 O1 C15 -130.1(5) .
O5 Dy1 O1 C15 -156.0(5) .
O3 Dy1 O1 C15 131.9(5) .
O8 Dy1 O1 C15 -77.7(5) .
O4 Dy1 O1 C15 89.6(5) .
O2 Dy1 O1 C15 40.2(5) .
O7 Dy1 O1 Mn1 168.55(13) .
O6 Dy1 O1 Mn1 58.9(3) .
O5 Dy1 O1 Mn1 32.97(13) .
O3 Dy1 O1 Mn1 -39.09(13) .
O8 Dy1 O1 Mn1 111.29(16) .
O4 Dy1 O1 Mn1 -81.4(2) .
O2 Dy1 O1 Mn1 -130.80(17) .
C20 C21 O2 Dy1 16.8(10) .
O7 Dy1 O2 C21 99.2(5) .
O1 Dy1 O2 C21 -31.5(5) .
O6 Dy1 O2 C21 138.1(5) .
O5 Dy1 O2 C21 -56.7(6) .
O3 Dy1 O2 C21 -103.4(5) .
O8 Dy1 O2 C21 32.6(6) .
O4 Dy1 O2 C21 -176.0(6) .
C1 C6 O3 Mn1 -169.5(4) .
C5 C6 O3 Mn1 10.1(8) .
C1 C6 O3 Dy1 -14.0(9) .
C5 C6 O3 Dy1 165.6(4) .
O5 Mn1 O3 C6 27.2(5) 2_656
O5 Mn1 O3 C6 -152.8(5) .
O1 Mn1 O3 C6 123.1(5) .
O1 Mn1 O3 C6 -56.9(5) 2_656
O3 Mn1 O3 C6 -91(100) 2_656
Dy1 Mn1 O3 C6 -17.0(5) 2_656
O5 Mn1 O3 Dy1 -135.80(13) 2_656
O5 Mn1 O3 Dy1 44.20(13) .
O1 Mn1 O3 Dy1 -39.81(13) .
O1 Mn1 O3 Dy1 140.19(13) 2_656
O3 Mn1 O3 Dy1 106(100) 2_656
Dy1 Mn1 O3 Dy1 180.0 2_656
O7 Dy1 O3 C6 -0.9(7) .
O1 Dy1 O3 C6 -124.9(5) .
O6 Dy1 O3 C6 95.1(5) .
O5 Dy1 O3 C6 156.4(5) .
O8 Dy1 O3 C6 -166.5(5) .
O4 Dy1 O3 C6 23.5(5) .
O2 Dy1 O3 C6 -53.1(5) .
O7 Dy1 O3 Mn1 161.3(2) .
O1 Dy1 O3 Mn1 37.35(12) .
O6 Dy1 O3 Mn1 -102.69(15) .
O5 Dy1 O3 Mn1 -41.40(12) .
O8 Dy1 O3 Mn1 -4.3(2) .
O4 Dy1 O3 Mn1 -174.27(17) .
O2 Dy1 O3 Mn1 109.13(15) .
C1 C7 O4 Dy1 22.4(11) .
O7 Dy1 O4 C7 141.4(6) .
O1 Dy1 O4 C7 14.9(7) .
O6 Dy1 O4 C7 -141.6(6) .
O5 Dy1 O4 C7 -78.4(6) .
O3 Dy1 O4 C7 -27.2(6) .
O8 Dy1 O4 C7 168.2(5) .
O2 Dy1 O4 C7 62.8(6) .
C27 C22 O5 Mn1 -176.7(4) .
C23 C22 O5 Mn1 1.3(8) .
C27 C22 O5 Dy1 16.4(9) .
C23 C22 O5 Dy1 -165.6(4) .
O5 Mn1 O5 C22 25(100) 2_656
O1 Mn1 O5 C22 -135.5(5) .
O1 Mn1 O5 C22 44.5(5) 2_656
O3 Mn1 O5 C22 144.9(5) .
O3 Mn1 O5 C22 -35.1(5) 2_656
Dy1 Mn1 O5 C22 9.5(6) 2_656
O5 Mn1 O5 Dy1 -165(100) 2_656
O1 Mn1 O5 Dy1 34.97(14) .
O1 Mn1 O5 Dy1 -145.03(14) 2_656
O3 Mn1 O5 Dy1 -44.59(13) .
O3 Mn1 O5 Dy1 135.41(13) 2_656
Dy1 Mn1 O5 Dy1 180.000(1) 2_656
O7 Dy1 O5 C22 18.3(6) .
O1 Dy1 O5 C22 137.5(5) .
O6 Dy1 O5 C22 -26.2(5) .
O3 Dy1 O5 C22 -146.1(5) .
O8 Dy1 O5 C22 60.5(5) .
O4 Dy1 O5 C22 -93.1(5) .
O2 Dy1 O5 C22 162.5(5) .
O7 Dy1 O5 Mn1 -152.22(17) .
O1 Dy1 O5 Mn1 -32.97(13) .
O6 Dy1 O5 Mn1 163.29(19) .
O3 Dy1 O5 Mn1 43.41(13) .
O8 Dy1 O5 Mn1 -110.03(16) .
O4 Dy1 O5 Mn1 96.41(17) .
O2 Dy1 O5 Mn1 -8.0(3) .
C27 C28 O6 Dy1 -22.2(11) .
O7 Dy1 O6 C28 -121.7(7) .
O1 Dy1 O6 C28 2.9(8) .
O5 Dy1 O6 C28 28.9(6) .
O3 Dy1 O6 C28 87.4(6) .
O8 Dy1 O6 C28 -47.2(6) .
O4 Dy1 O6 C28 154.1(7) .
O2 Dy1 O6 C28 -160.8(6) .
C9 C8 O7 Dy1 -147.6(5) .
C13 C8 O7 Dy1 33.2(9) .
O1 Dy1 O7 C8 -92.7(6) .
O6 Dy1 O7 C8 50.9(5) .
O5 Dy1 O7 C8 7.3(6) .
O3 Dy1 O7 C8 155.4(5) .
O8 Dy1 O7 C8 -35.3(5) .
O4 Dy1 O7 C8 132.0(6) .
O2 Dy1 O7 C8 -150.6(6) .
C13 C14 O8 Dy1 -8.0(10) .
O7 Dy1 O8 C14 21.9(5) .
O1 Dy1 O8 C14 153.7(6) .
O6 Dy1 O8 C14 -55.6(6) .
O5 Dy1 O8 C14 -129.6(6) .
O3 Dy1 O8 C14 -165.2(5) .
O4 Dy1 O8 C14 -5.9(7) .
O2 Dy1 O8 C14 91.0(6) .
