#------------------------------------------------------------------------------
#$Date: 2015-12-01 09:43:54 +0200 (Tue, 01 Dec 2015) $
#$Revision: 170630 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/33/7223382.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_7223382
loop_
_publ_author_name
'Liu, Cai-Ming'
'Xiong, Jin'
'Zhang, Deqing'
'Wang, Bing-Wu'
'Zhu, Daoben'
_publ_section_title
;
 Multiple thermal magnetic relaxation in a two-dimensional ferromagnetic
 dysprosium(III) metal-organic framework
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C5RA23638J
_journal_year                    2015
_chemical_formula_sum            'C21 H21 Dy2 N3 O21'
_chemical_formula_weight         976.41
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-06-26 deposited with the CCDC.
2015-11-27 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 111.54(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.0067(18)
_cell_length_b                   14.524(3)
_cell_length_c                   23.390(6)
_cell_measurement_reflns_used    9441
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4839
_cell_measurement_theta_min      1.4020
_cell_volume                     2846.0(12)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean '15x15 microns'
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area dtetector'
_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  0.0298
_diffrn_reflns_av_sigmaI/netI    0.0270
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            19849
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    5.312
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5478
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.279
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1872
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.745
_refine_diff_density_min         -1.072
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.176
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     428
_refine_ls_number_reflns         6473
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.176
_refine_ls_R_factor_all          0.0284
_refine_ls_R_factor_gt           0.0271
_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)+(0.0167P)²+7.2183P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0566
_refine_ls_wR_factor_ref         0.0572
_reflns_number_gt                6319
_reflns_number_total             6473
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ra23638j2.cif
_cod_data_source_block           1
_cod_original_cell_volume        2846.0(11)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7223382
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Dy1 Dy 0.082442(18) 0.261873(11) 0.344914(7) 0.01352(5) Uani 1 1 d .
Dy2 Dy -0.506905(18) 0.499333(11) 0.233826(7) 0.01230(5) Uani 1 1 d .
C1 C 0.2740(4) 0.4439(3) 0.32007(17) 0.0177(7) Uani 1 1 d .
C2 C 0.2528(4) 0.4717(3) 0.37851(18) 0.0183(7) Uani 1 1 d .
C3 C 0.3299(5) 0.5456(3) 0.41381(19) 0.0229(8) Uani 1 1 d .
H3 H 0.3883 0.5863 0.3996 0.028 Uiso 1 1 calc R
C4 C 0.3189(5) 0.5582(3) 0.4710(2) 0.0241(8) Uani 1 1 d .
C5 C 0.2285(5) 0.4954(3) 0.4902(2) 0.0261(9) Uani 1 1 d .
H5 H 0.2213 0.5006 0.5287 0.031 Uiso 1 1 calc R
C6 C 0.1506(5) 0.4260(3) 0.45050(18) 0.0196(8) Uani 1 1 d .
C7 C 0.0495(5) 0.3544(3) 0.46594(18) 0.0224(8) Uani 1 1 d .
C8 C 0.3746(4) 0.2078(3) 0.47183(18) 0.0202(8) Uani 1 1 d .
C9 C 0.2707(4) 0.1236(3) 0.46540(17) 0.0191(7) Uani 1 1 d .
C10 C 0.3105(5) 0.0491(3) 0.50452(18) 0.0220(8) Uani 1 1 d .
H10 H 0.4033 0.0492 0.5394 0.026 Uiso 1 1 calc R
C11 C 0.2083(5) -0.0261(3) 0.49045(18) 0.0222(8) Uani 1 1 d .
C12 C 0.0643(4) -0.0211(3) 0.44035(18) 0.0205(8) Uani 1 1 d .
H12 H -0.0085 -0.0694 0.4313 0.025 Uiso 1 1 calc R
C13 C 0.0327(4) 0.0572(3) 0.40468(17) 0.0170(7) Uani 1 1 d .
C14 C -0.1205(4) 0.0742(3) 0.35073(17) 0.0177(7) Uani 1 1 d .
C15 C -0.2130(4) 0.3566(2) 0.23177(18) 0.0172(7) Uani 1 1 d .
C16 C -0.1381(4) 0.2984(2) 0.19615(17) 0.0149(7) Uani 1 1 d .
C17 C -0.1783(4) 0.3032(3) 0.13356(17) 0.0187(7) Uani 1 1 d .
H17 H -0.2604 0.3415 0.1097 0.022 Uiso 1 1 calc R
C18 C -0.0929(5) 0.2490(3) 0.10619(17) 0.0195(7) Uani 1 1 d .
C19 C 0.0220(4) 0.1886(3) 0.14377(18) 0.0200(8) Uani 1 1 d .
H19 H 0.0759 0.1487 0.1270 0.024 Uiso 1 1 calc R
C20 C 0.0543(4) 0.1887(2) 0.20563(17) 0.0159(7) Uani 1 1 d .
C21 C 0.1870(4) 0.1341(2) 0.25055(17) 0.0165(7) Uani 1 1 d .
N1 N 0.1617(4) 0.4131(2) 0.39560(14) 0.0173(6) Uani 1 1 d .
N2 N 0.1356(3) 0.1276(2) 0.41556(14) 0.0159(6) Uani 1 1 d .
N3 N -0.0222(3) 0.2431(2) 0.23234(14) 0.0152(6) Uani 1 1 d .
O1 O 0.2233(3) 0.36461(19) 0.29947(13) 0.0240(6) Uani 1 1 d .
O1W O -0.3440(3) 0.4403(2) 0.33190(13) 0.0252(6) Uani 1 1 d .
H1WA H -0.3236 0.4831 0.3597 0.038 Uiso 1 1 d R
H1WB H -0.2543 0.4200 0.3310 0.038 Uiso 1 1 d R
O2W O -0.4948(3) 0.5609(2) 0.14162(13) 0.0249(6) Uani 1 1 d .
O2 O 0.3432(3) 0.49821(18) 0.29710(14) 0.0237(6) Uani 1 1 d .
O3 O -0.0193(3) 0.29609(19) 0.42538(13) 0.0238(6) Uani 1 1 d .
O3W O -0.6126(3) 0.3459(2) 0.22265(15) 0.0288(7) Uani 1 1 d .
O4W O -0.5644(3) 0.65802(19) 0.24902(15) 0.0287(7) Uani 1 1 d .
O4 O 0.0423(5) 0.3583(2) 0.51811(15) 0.0451(10) Uani 1 1 d .
O5 O 0.3941(4) 0.6245(2) 0.51044(15) 0.0364(8) Uani 1 1 d .
O5W O -0.6318(13) 0.2419(7) 0.1204(4) 0.180(5) Uani 1 1 d G
H5WA H -0.5581 0.2423 0.1058 0.269 Uiso 1 1 d G
H5WB H -0.6793 0.1902 0.1130 0.269 Uiso 1 1 d G
O6 O 0.3442(3) 0.25420(19) 0.42304(13) 0.0244(6) Uani 1 1 d .
O6W O -0.3862(5) 0.2711(3) 0.37808(19) 0.0523(10) Uani 1 1 d .
O7 O 0.4793(4) 0.2264(2) 0.52268(14) 0.0319(7) Uani 1 1 d .
O8 O -0.1274(3) 0.14911(19) 0.32238(13) 0.0240(6) Uani 1 1 d .
O9 O -0.2289(3) 0.01489(19) 0.33846(13) 0.0221(6) Uani 1 1 d .
O10 O 0.2504(4) -0.1010(2) 0.52686(15) 0.0360(8) Uani 1 1 d .
O11 O -0.1421(3) 0.35495(19) 0.28937(12) 0.0225(6) Uani 1 1 d .
O12 O -0.3357(3) 0.40216(19) 0.20328(12) 0.0205(6) Uani 1 1 d .
O13 O 0.2153(3) 0.1489(2) 0.30697(13) 0.0247(6) Uani 1 1 d .
O14 O 0.2635(3) 0.08000(18) 0.23034(13) 0.0215(6) Uani 1 1 d .
O15 O -0.1229(4) 0.2568(2) 0.04641(12) 0.0291(7) Uani 1 1 d .
H15 H -0.0505 0.2196 0.0416 0.035 Uiso 1 1 d R
H10A H 0.2143 -0.1507 0.5058 0.035 Uiso 1 1 d R
H5A H 0.4175 0.6745 0.4892 0.035 Uiso 1 1 d R
H3WA H -0.6915 0.3234 0.2301 0.035 Uiso 1 1 d R
H2WA H -0.5763 0.5825 0.1126 0.035 Uiso 1 1 d R
H6WA H -0.4318 0.2665 0.4042 0.035 Uiso 1 1 d R
H2WB H -0.4090 0.5888 0.1471 0.035 Uiso 1 1 d R
H4WA H -0.5079 0.6647 0.2870 0.035 Uiso 1 1 d R
H4WB H -0.6602 0.6775 0.2351 0.035 Uiso 1 1 d R
H6WB H -0.2910 0.2917 0.3938 0.035 Uiso 1 1 d R
H3WB H -0.6738 0.3561 0.1853 0.035 Uiso 1 1 d R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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 -0.1890 4.4100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 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
O11 Dy1 O13 128.95(9) . .
O11 Dy1 O6 147.39(10) . .
O13 Dy1 O6 76.38(10) . .
O11 Dy1 O8 79.97(10) . .
O13 Dy1 O8 84.91(10) . .
O6 Dy1 O8 127.47(9) . .
O11 Dy1 O3 79.65(10) . .
O13 Dy1 O3 144.35(10) . .
O6 Dy1 O3 87.93(10) . .
O8 Dy1 O3 79.61(10) . .
O11 Dy1 O1 83.60(10) . .
O13 Dy1 O1 81.18(10) . .
O6 Dy1 O1 80.64(10) . .
O8 Dy1 O1 144.30(10) . .
O3 Dy1 O1 128.10(9) . .
O11 Dy1 N3 64.22(9) . .
O13 Dy1 N3 64.77(9) . .
O6 Dy1 N3 133.85(10) . .
O8 Dy1 N3 74.29(10) . .
O3 Dy1 N3 138.22(10) . .
O1 Dy1 N3 70.04(10) . .
O11 Dy1 N1 78.20(10) . .
O13 Dy1 N1 133.88(10) . .
O6 Dy1 N1 69.25(10) . .
O8 Dy1 N1 140.71(10) . .
O3 Dy1 N1 64.62(9) . .
O1 Dy1 N1 63.97(10) . .
N3 Dy1 N1 122.71(10) . .
O11 Dy1 N2 136.50(10) . .
O13 Dy1 N2 72.97(10) . .
O6 Dy1 N2 63.97(9) . .
O8 Dy1 N2 63.66(10) . .
O3 Dy1 N2 71.38(10) . .
O1 Dy1 N2 139.89(10) . .
N3 Dy1 N2 121.87(10) . .
N1 Dy1 N2 115.25(10) . .
O2 Dy2 O14 117.17(10) 1_455 2
O2 Dy2 O9 77.91(10) 1_455 2_455
O14 Dy2 O9 140.09(10) 2 2_455
O2 Dy2 O2W 143.75(10) 1_455 .
O14 Dy2 O2W 77.78(10) 2 .
O9 Dy2 O2W 71.64(10) 2_455 .
O2 Dy2 O1W 71.52(10) 1_455 .
O14 Dy2 O1W 70.87(10) 2 .
O9 Dy2 O1W 145.39(10) 2_455 .
O2W Dy2 O1W 142.44(9) . .
O2 Dy2 O12 140.50(9) 1_455 .
O14 Dy2 O12 77.34(10) 2 .
O9 Dy2 O12 115.65(9) 2_455 .
O2W Dy2 O12 72.56(10) . .
O1W Dy2 O12 80.70(10) . .
O2 Dy2 O3W 76.38(10) 1_455 .
O14 Dy2 O3W 141.45(10) 2 .
O9 Dy2 O3W 75.91(10) 2_455 .
O2W Dy2 O3W 113.55(10) . .
O1W Dy2 O3W 81.39(11) . .
O12 Dy2 O3W 72.08(10) . .
O2 Dy2 O4W 73.09(10) 1_455 .
O14 Dy2 O4W 72.22(10) 2 .
O9 Dy2 O4W 78.51(9) 2_455 .
O2W Dy2 O4W 81.86(11) . .
O1W Dy2 O4W 106.91(11) . .
O12 Dy2 O4W 143.64(10) . .
O3W Dy2 O4W 143.48(10) . .
O2 C1 O1 125.5(4) . .
O2 C1 C2 118.2(3) . .
O1 C1 C2 116.2(3) . .
N1 C2 C3 123.1(4) . .
N1 C2 C1 113.3(3) . .
C3 C2 C1 123.4(3) . .
C2 C3 C4 118.8(4) . .
C2 C3 H3 120.6 . .
C4 C3 H3 120.6 . .
O5 C4 C3 124.3(4) . .
O5 C4 C5 117.1(4) . .
C3 C4 C5 118.6(4) . .
C6 C5 C4 118.2(4) . .
C6 C5 H5 120.9 . .
C4 C5 H5 120.9 . .
N1 C6 C5 123.5(3) . .
N1 C6 C7 113.4(3) . .
C5 C6 C7 123.1(3) . .
O4 C7 O3 125.6(4) . .
O4 C7 C6 117.1(3) . .
O3 C7 C6 117.3(3) . .
O7 C8 O6 125.6(4) . .
O7 C8 C9 119.6(3) . .
O6 C8 C9 114.8(3) . .
N2 C9 C10 122.9(3) . .
N2 C9 C8 112.4(3) . .
C10 C9 C8 124.6(3) . .
C9 C10 C11 118.2(3) . .
C9 C10 H10 120.9 . .
C11 C10 H10 120.9 . .
O10 C11 C10 118.5(3) . .
O10 C11 C12 122.2(4) . .
C10 C11 C12 119.3(4) . .
C13 C12 C11 118.3(3) . .
C13 C12 H12 120.8 . .
C11 C12 H12 120.8 . .
N2 C13 C12 122.7(3) . .
N2 C13 C14 112.9(3) . .
C12 C13 C14 124.4(3) . .
O9 C14 O8 126.0(3) . .
O9 C14 C13 118.3(3) . .
O8 C14 C13 115.7(3) . .
O12 C15 O11 125.5(3) . .
O12 C15 C16 119.3(3) . .
O11 C15 C16 115.2(3) . .
N3 C16 C17 122.8(3) . .
N3 C16 C15 112.9(3) . .
C17 C16 C15 124.3(3) . .
C16 C17 C18 118.8(3) . .
C16 C17 H17 120.6 . .
C18 C17 H17 120.6 . .
O15 C18 C19 122.3(3) . .
O15 C18 C17 119.8(3) . .
C19 C18 C17 117.9(3) . .
C20 C19 C18 119.1(3) . .
C20 C19 H19 120.4 . .
C18 C19 H19 120.4 . .
N3 C20 C19 123.1(3) . .
N3 C20 C21 113.5(3) . .
C19 C20 C21 123.2(3) . .
O14 C21 O13 125.0(3) . .
O14 C21 C20 118.6(3) . .
O13 C21 C20 116.4(3) . .
C6 N1 C2 117.8(3) . .
C6 N1 Dy1 118.4(2) . .
C2 N1 Dy1 121.5(2) . .
C13 N2 C9 118.3(3) . .
C13 N2 Dy1 121.4(2) . .
C9 N2 Dy1 120.2(2) . .
C16 N3 C20 118.1(3) . .
C16 N3 Dy1 120.7(2) . .
C20 N3 Dy1 120.1(2) . .
C1 O1 Dy1 124.2(2) . .
Dy2 O1W H1WA 110.4 . .
Dy2 O1W H1WB 110.4 . .
H1WA O1W H1WB 108.5 . .
Dy2 O2W H2WA 123.1 . .
Dy2 O2W H2WB 112.9 . .
H2WA O2W H2WB 114.7 . .
C1 O2 Dy2 140.7(3) . 1_655
C7 O3 Dy1 120.2(2) . .
Dy2 O3W H3WA 131.2 . .
Dy2 O3W H3WB 91.8 . .
H3WA O3W H3WB 90.1 . .
Dy2 O4W H4WA 100.6 . .
Dy2 O4W H4WB 120.2 . .
H4WA O4W H4WB 119.7 . .
C4 O5 H5A 110.2 . .
H5WA O5W H5WB 109.5 . .
C8 O6 Dy1 122.6(2) . .
H6WA O6W H6WB 113.0 . .
C14 O8 Dy1 126.0(2) . .
C14 O9 Dy2 136.2(2) . 2_445
C11 O10 H10A 110.7 . .
C15 O11 Dy1 126.1(2) . .
C15 O12 Dy2 134.1(2) . .
C21 O13 Dy1 124.6(2) . .
C21 O14 Dy2 138.7(2) . 2_545
C18 O15 H15 102.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O11 2.382(3) .
Dy1 O13 2.386(3) .
Dy1 O6 2.397(3) .
Dy1 O8 2.408(3) .
Dy1 O3 2.428(3) .
Dy1 O1 2.441(3) .
Dy1 N3 2.465(3) .
Dy1 N1 2.473(3) .
Dy1 N2 2.486(3) .
Dy2 O2 2.341(3) 1_455
Dy2 O14 2.352(3) 2
Dy2 O9 2.370(3) 2_455
Dy2 O2W 2.374(3) .
Dy2 O1W 2.383(3) .
Dy2 O12 2.385(3) .
Dy2 O3W 2.400(3) .
Dy2 O4W 2.417(3) .
C1 O2 1.243(4) .
C1 O1 1.266(5) .
C1 C2 1.504(5) .
C2 N1 1.342(5) .
C2 C3 1.376(5) .
C3 C4 1.389(6) .
C3 H3 0.9300 .
C4 O5 1.334(5) .
C4 C5 1.401(5) .
C5 C6 1.375(5) .
C5 H5 0.9300 .
C6 N1 1.338(5) .
C6 C7 1.511(5) .
C7 O4 1.247(5) .
C7 O3 1.253(5) .
C8 O7 1.246(5) .
C8 O6 1.266(5) .
C8 C9 1.513(5) .
C9 N2 1.342(5) .
C9 C10 1.376(5) .
C10 C11 1.388(5) .
C10 H10 0.9300 .
C11 O10 1.347(5) .
C11 C12 1.395(5) .
C12 C13 1.376(5) .
C12 H12 0.9300 .
C13 N2 1.341(5) .
C13 C14 1.510(5) .
C14 O9 1.254(4) .
C14 O8 1.263(5) .
C15 O12 1.250(4) .
C15 O11 1.262(5) .
C15 C16 1.509(5) .
C16 N3 1.343(4) .
C16 C17 1.375(5) .
C17 C18 1.408(5) .
C17 H17 0.9300 .
C18 O15 1.328(5) .
C18 C19 1.395(5) .
C19 C20 1.367(5) .
C19 H19 0.9300 .
C20 N3 1.343(4) .
C20 C21 1.496(5) .
C21 O14 1.247(4) .
C21 O13 1.267(5) .
O1W H1WA 0.8682 .
O1W H1WB 0.8683 .
O2W H2WA 0.8560 .
O2W H2WB 0.8397 .
O2 Dy2 2.341(3) 1_655
O3W H3WA 0.8549 .
O3W H3WB 0.8579 .
O4W H4WA 0.8512 .
O4W H4WB 0.8507 .
O5 H5A 0.9462 .
O5W H5WA 0.8498 .
O5W H5WB 0.8500 .
O6W H6WA 0.8548 .
O6W H6WB 0.8535 .
O9 Dy2 2.370(3) 2_445
O10 H10A 0.8667 .
O14 Dy2 2.352(3) 2_545
O15 H15 0.8845 .
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
_geom_torsion_site_symmetry_4
O2 C1 C2 N1 173.0(3) . .
O1 C1 C2 N1 -9.1(5) . .
O2 C1 C2 C3 -12.3(6) . .
O1 C1 C2 C3 165.6(4) . .
N1 C2 C3 C4 2.8(6) . .
C1 C2 C3 C4 -171.4(4) . .
C2 C3 C4 O5 176.8(4) . .
C2 C3 C4 C5 -0.5(6) . .
O5 C4 C5 C6 -179.6(4) . .
C3 C4 C5 C6 -2.1(6) . .
C4 C5 C6 N1 2.8(6) . .
C4 C5 C6 C7 -180.0(4) . .
N1 C6 C7 O4 175.3(4) . .
C5 C6 C7 O4 -2.2(6) . .
N1 C6 C7 O3 -4.5(5) . .
C5 C6 C7 O3 178.0(4) . .
O7 C8 C9 N2 160.6(4) . .
O6 C8 C9 N2 -19.0(5) . .
O7 C8 C9 C10 -21.5(6) . .
O6 C8 C9 C10 158.9(4) . .
N2 C9 C10 C11 2.1(6) . .
C8 C9 C10 C11 -175.6(4) . .
C9 C10 C11 O10 176.8(4) . .
C9 C10 C11 C12 -4.8(6) . .
O10 C11 C12 C13 -178.4(4) . .
C10 C11 C12 C13 3.3(6) . .
C11 C12 C13 N2 1.2(6) . .
C11 C12 C13 C14 -177.3(4) . .
N2 C13 C14 O9 -176.3(3) . .
C12 C13 C14 O9 2.4(6) . .
N2 C13 C14 O8 2.9(5) . .
C12 C13 C14 O8 -178.5(4) . .
O12 C15 C16 N3 -170.7(3) . .
O11 C15 C16 N3 9.8(5) . .
O12 C15 C16 C17 11.7(6) . .
O11 C15 C16 C17 -167.7(4) . .
N3 C16 C17 C18 -1.1(6) . .
C15 C16 C17 C18 176.3(3) . .
C16 C17 C18 O15 -175.8(4) . .
C16 C17 C18 C19 4.0(6) . .
O15 C18 C19 C20 175.6(4) . .
C17 C18 C19 C20 -4.3(6) . .
C18 C19 C20 N3 1.6(6) . .
C18 C19 C20 C21 -173.2(3) . .
N3 C20 C21 O14 178.5(3) . .
C19 C20 C21 O14 -6.2(6) . .
N3 C20 C21 O13 -3.2(5) . .
C19 C20 C21 O13 172.0(4) . .
C5 C6 N1 C2 -0.7(6) . .
C7 C6 N1 C2 -178.2(3) . .
C5 C6 N1 Dy1 162.0(3) . .
C7 C6 N1 Dy1 -15.5(4) . .
C3 C2 N1 C6 -2.2(6) . .
C1 C2 N1 C6 172.5(3) . .
C3 C2 N1 Dy1 -164.3(3) . .
C1 C2 N1 Dy1 10.4(4) . .
O11 Dy1 N1 C6 102.9(3) . .
O13 Dy1 N1 C6 -123.4(3) . .
O6 Dy1 N1 C6 -79.0(3) . .
O8 Dy1 N1 C6 45.4(3) . .
O3 Dy1 N1 C6 18.9(3) . .
O1 Dy1 N1 C6 -168.5(3) . .
N3 Dy1 N1 C6 151.5(3) . .
N2 Dy1 N1 C6 -33.2(3) . .
O11 Dy1 N1 C2 -95.0(3) . .
O13 Dy1 N1 C2 38.6(3) . .
O6 Dy1 N1 C2 83.1(3) . .
O8 Dy1 N1 C2 -152.6(3) . .
O3 Dy1 N1 C2 -179.0(3) . .
O1 Dy1 N1 C2 -6.4(3) . .
N3 Dy1 N1 C2 -46.5(3) . .
N2 Dy1 N1 C2 128.9(3) . .
C12 C13 N2 C9 -4.0(6) . .
C14 C13 N2 C9 174.7(3) . .
C12 C13 N2 Dy1 175.0(3) . .
C14 C13 N2 Dy1 -6.3(4) . .
C10 C9 N2 C13 2.3(6) . .
C8 C9 N2 C13 -179.8(3) . .
C10 C9 N2 Dy1 -176.7(3) . .
C8 C9 N2 Dy1 1.2(4) . .
O11 Dy1 N2 C13 41.8(3) . .
O13 Dy1 N2 C13 -87.4(3) . .
O6 Dy1 N2 C13 -170.3(3) . .
O8 Dy1 N2 C13 5.3(3) . .
O3 Dy1 N2 C13 92.7(3) . .
O1 Dy1 N2 C13 -139.7(3) . .
N3 Dy1 N2 C13 -43.1(3) . .
N1 Dy1 N2 C13 141.5(3) . .
O11 Dy1 N2 C9 -139.2(3) . .
O13 Dy1 N2 C9 91.5(3) . .
O6 Dy1 N2 C9 8.7(3) . .
O8 Dy1 N2 C9 -175.7(3) . .
O3 Dy1 N2 C9 -88.3(3) . .
O1 Dy1 N2 C9 39.3(3) . .
N3 Dy1 N2 C9 135.9(3) . .
N1 Dy1 N2 C9 -39.5(3) . .
C17 C16 N3 C20 -1.7(5) . .
C15 C16 N3 C20 -179.3(3) . .
C17 C16 N3 Dy1 166.7(3) . .
C15 C16 N3 Dy1 -10.9(4) . .
C19 C20 N3 C16 1.4(5) . .
C21 C20 N3 C16 176.7(3) . .
C19 C20 N3 Dy1 -167.0(3) . .
C21 C20 N3 Dy1 8.2(4) . .
O11 Dy1 N3 C16 6.6(2) . .
O13 Dy1 N3 C16 -175.4(3) . .
O6 Dy1 N3 C16 -139.8(2) . .
O8 Dy1 N3 C16 92.9(3) . .
O3 Dy1 N3 C16 39.5(3) . .
O1 Dy1 N3 C16 -85.9(3) . .
N1 Dy1 N3 C16 -47.9(3) . .
N2 Dy1 N3 C16 137.0(3) . .
O11 Dy1 N3 C20 174.8(3) . .
O13 Dy1 N3 C20 -7.2(2) . .
O6 Dy1 N3 C20 28.3(3) . .
O8 Dy1 N3 C20 -99.0(3) . .
O3 Dy1 N3 C20 -152.4(2) . .
O1 Dy1 N3 C20 82.3(3) . .
N1 Dy1 N3 C20 120.3(3) . .
N2 Dy1 N3 C20 -54.8(3) . .
O2 C1 O1 Dy1 -178.5(3) . .
C2 C1 O1 Dy1 3.9(4) . .
O11 Dy1 O1 C1 80.9(3) . .
O13 Dy1 O1 C1 -148.0(3) . .
O6 Dy1 O1 C1 -70.5(3) . .
O8 Dy1 O1 C1 143.7(3) . .
O3 Dy1 O1 C1 9.4(3) . .
N3 Dy1 O1 C1 145.7(3) . .
N1 Dy1 O1 C1 0.9(3) . .
N2 Dy1 O1 C1 -98.1(3) . .
O1 C1 O2 Dy2 -23.5(7) . 1_655
C2 C1 O2 Dy2 154.2(3) . 1_655
O4 C7 O3 Dy1 -156.7(4) . .
C6 C7 O3 Dy1 23.1(5) . .
O11 Dy1 O3 C7 -103.9(3) . .
O13 Dy1 O3 C7 108.8(3) . .
O6 Dy1 O3 C7 45.8(3) . .
O8 Dy1 O3 C7 174.5(3) . .
O1 Dy1 O3 C7 -30.6(3) . .
N3 Dy1 O3 C7 -133.7(3) . .
N1 Dy1 O3 C7 -22.2(3) . .
N2 Dy1 O3 C7 109.0(3) . .
O7 C8 O6 Dy1 -149.7(3) . .
C9 C8 O6 Dy1 29.8(5) . .
O11 Dy1 O6 C8 116.1(3) . .
O13 Dy1 O6 C8 -98.7(3) . .
O8 Dy1 O6 C8 -26.2(4) . .
O3 Dy1 O6 C8 49.0(3) . .
O1 Dy1 O6 C8 178.2(3) . .
N3 Dy1 O6 C8 -131.4(3) . .
N1 Dy1 O6 C8 112.6(3) . .
N2 Dy1 O6 C8 -21.2(3) . .
O9 C14 O8 Dy1 -178.9(3) . .
C13 C14 O8 Dy1 2.1(5) . .
O11 Dy1 O8 C14 -159.2(3) . .
O13 Dy1 O8 C14 69.7(3) . .
O6 Dy1 O8 C14 1.2(4) . .
O3 Dy1 O8 C14 -78.0(3) . .
O1 Dy1 O8 C14 136.9(3) . .
N3 Dy1 O8 C14 134.9(3) . .
N1 Dy1 O8 C14 -102.2(3) . .
N2 Dy1 O8 C14 -3.8(3) . .
O8 C14 O9 Dy2 -1.9(6) . 2_445
C13 C14 O9 Dy2 177.1(2) . 2_445
O12 C15 O11 Dy1 176.1(3) . .
C16 C15 O11 Dy1 -4.6(5) . .
O13 Dy1 O11 C15 -2.9(4) . .
O6 Dy1 O11 C15 131.7(3) . .
O8 Dy1 O11 C15 -77.9(3) . .
O3 Dy1 O11 C15 -159.0(3) . .
O1 Dy1 O11 C15 70.3(3) . .
N3 Dy1 O11 C15 -0.6(3) . .
N1 Dy1 O11 C15 135.0(3) . .
N2 Dy1 O11 C15 -110.6(3) . .
O11 C15 O12 Dy2 -3.2(6) . .
C16 C15 O12 Dy2 177.5(2) . .
O2 Dy2 O12 C15 -53.0(4) 1_455 .
O14 Dy2 O12 C15 64.7(3) 2 .
O9 Dy2 O12 C15 -155.5(3) 2_455 .
O2W Dy2 O12 C15 145.6(4) . .
O1W Dy2 O12 C15 -7.7(3) . .
O3W Dy2 O12 C15 -91.6(3) . .
O4W Dy2 O12 C15 98.3(4) . .
O14 C21 O13 Dy1 174.5(3) . .
C20 C21 O13 Dy1 -3.6(5) . .
O11 Dy1 O13 C21 7.9(4) . .
O6 Dy1 O13 C21 -148.8(3) . .
O8 Dy1 O13 C21 80.6(3) . .
O3 Dy1 O13 C21 144.8(3) . .
O1 Dy1 O13 C21 -66.4(3) . .
N3 Dy1 O13 C21 5.6(3) . .
N1 Dy1 O13 C21 -106.5(3) . .
N2 Dy1 O13 C21 144.6(3) . .
O13 C21 O14 Dy2 -14.9(6) . 2_545
C20 C21 O14 Dy2 163.2(3) . 2_545
