#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/19/2231926.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2231926
loop_
_publ_author_name
'Zhang, Yan-Lin'
_publ_section_title
;
 Poly[[diaquabis(2,2'-bipyridine-κ²N,N')(μ₃-5-hydroxyisophthalato-κ⁵O¹,O^1'^:O³,O^3'^:O^3'^)(μ₃-5-hydroxyisophthalato-κ⁴O¹,O^1'^:O³:O^3'^)(μ₂-5-hydroxyisophthalato-κ³O¹,O^1'^:O³)didysprosium(III)]
 dihydrate]
;
_journal_coeditor_code           HY2467
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1473
_journal_page_last               m1474
_journal_paper_doi               10.1107/S1600536811039080
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac
'[Dy2 (C8 H4 O5)3 (C10 H8 N2)2 (H2 O)2] , 2H2 O'
_chemical_formula_moiety         'C44 H32 Dy2 N4 O17, 2(H2 O)'
_chemical_formula_sum            'C44 H36 Dy2 N4 O19'
_chemical_formula_weight         1249.77
_chemical_name_systematic
;
Poly[[diaquabis(2,2'-bipyridine-κ²N,N')(μ₃-5-
hydroxyisophthalato-
κ⁵O¹,O^1'^:O³,O^3'^:O^3'^)(μ₃-
5-hydroxyisophthalato-
κ⁴O¹,O^1'^:O³:O^3'^)(μ₂-5-
hydroxyisophthalato-κ³O¹,O^1'^:O³)didysprosium(III)]
dihydrate]
;
_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                91.3100(10)
_cell_angle_beta                 103.1870(10)
_cell_angle_gamma                106.5050(10)
_cell_formula_units_Z            2
_cell_length_a                   11.3736(5)
_cell_length_b                   12.0349(6)
_cell_length_c                   17.8360(8)
_cell_measurement_reflns_used    7036
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.2
_cell_measurement_theta_min      2.34
_cell_volume                     2269.00(18)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics
'DIAMOND (Brandenburg, 1999) and SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and 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  0.0201
_diffrn_reflns_av_sigmaI/netI    0.0371
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            11732
_diffrn_reflns_theta_full        25.20
_diffrn_reflns_theta_max         25.20
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    3.352
_exptl_absorpt_correction_T_max  0.5396
_exptl_absorpt_correction_T_min  0.4879
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.829
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1224
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.21
_refine_diff_density_max         2.647
_refine_diff_density_min         -1.248
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     624
_refine_ls_number_reflns         8024
_refine_ls_number_restraints     252
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0398
_refine_ls_R_factor_gt           0.0347
_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)+(0.0438P)²+9.6294P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0910
_refine_ls_wR_factor_ref         0.0944
_reflns_number_gt                7052
_reflns_number_total             8024
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            hy2467.cif
_cod_data_source_block           I
_cod_database_code               2231926
_cod_database_fobs_code          2231926
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
C C1 0.4251(5) 0.8899(5) 0.7503(3) 0.0251(8) Uani d U 1 1
C C2 0.3246(5) 0.8628(5) 0.6840(3) 0.0239(8) Uani d U 1 1
H H2 0.3093 0.7969 0.6508 0.029 Uiso calc R 1 1
C C3 0.2482(5) 0.9350(5) 0.6685(3) 0.0244(8) Uani d U 1 1
C C4 0.2704(5) 1.0328(5) 0.7175(3) 0.0293(9) Uani d U 1 1
H H4 0.2188 1.0809 0.7064 0.035 Uiso calc R 1 1
C C5 0.3692(6) 1.0599(6) 0.7831(4) 0.0322(9) Uani d U 1 1
C C6 0.4462(6) 0.9871(5) 0.7995(4) 0.0302(9) Uani d U 1 1
H H6 0.5120 1.0043 0.8440 0.036 Uiso calc R 1 1
C C7 0.5145(5) 0.8182(5) 0.7643(3) 0.0238(10) Uani d U 1 1
C C8 0.1446(5) 0.9091(5) 0.5952(3) 0.0234(9) Uani d U 1 1
C C9 0.0136(5) 0.8915(5) 0.1828(3) 0.0245(8) Uani d U 1 1
C C10 0.1249(5) 0.9454(5) 0.1611(3) 0.0249(8) Uani d U 1 1
H H10 0.1973 0.9860 0.1983 0.030 Uiso calc R 1 1
C C11 0.1270(5) 0.9381(5) 0.0836(3) 0.0249(8) Uani d U 1 1
C C12 0.0188(5) 0.8775(5) 0.0280(3) 0.0249(8) Uani d U 1 1
H H12 0.0204 0.8723 -0.0238 0.030 Uiso calc R 1 1
C C13 -0.0921(5) 0.8246(5) 0.0506(3) 0.0259(8) Uani d U 1 1
C C14 -0.0937(5) 0.8305(5) 0.1277(3) 0.0258(8) Uani d U 1 1
H H14 -0.1673 0.7932 0.1425 0.031 Uiso calc R 1 1
C C15 0.0150(5) 0.9011(5) 0.2669(3) 0.0241(10) Uani d U 1 1
C C16 -0.2103(5) 0.7609(5) -0.0104(3) 0.0274(10) Uani d U 1 1
C C17 0.5160(5) 0.4159(5) 0.6023(3) 0.0211(7) Uani d U 1 1
C C18 0.3978(5) 0.3324(5) 0.5900(3) 0.0212(8) Uani d U 1 1
H H18 0.3485 0.3307 0.6253 0.025 Uiso calc R 1 1
C C19 0.3540(5) 0.2526(5) 0.5257(3) 0.0201(7) Uani d U 1 1
C C20 0.4278(5) 0.2559(5) 0.4717(3) 0.0216(8) Uani d U 1 1
H H20 0.4007 0.1998 0.4297 0.026 Uiso calc R 1 1
C C21 0.5417(5) 0.3438(5) 0.4819(3) 0.0222(8) Uani d U 1 1
C C22 0.5862(5) 0.4218(5) 0.5472(3) 0.0229(8) Uani d U 1 1
H H22 0.6638 0.4788 0.5544 0.028 Uiso calc R 1 1
C C23 0.2276(5) 0.1624(5) 0.5137(3) 0.0203(9) Uani d U 1 1
C C24 0.5688(5) 0.4978(5) 0.6744(3) 0.0220(9) Uani d U 1 1
C C25 1.0000(8) 0.7669(10) 0.8074(5) 0.0683(16) Uani d U 1 1
H H25 0.9747 0.8291 0.7869 0.082 Uiso calc R 1 1
C C26 1.1267(8) 0.7756(10) 0.8224(6) 0.0719(14) Uani d U 1 1
H H26 1.1856 0.8417 0.8129 0.086 Uiso calc R 1 1
C C27 1.1621(9) 0.6827(10) 0.8517(6) 0.0729(13) Uani d U 1 1
H H27 1.2463 0.6840 0.8608 0.087 Uiso calc R 1 1
C C28 1.0729(8) 0.5862(9) 0.8679(5) 0.0685(13) Uani d U 1 1
H H28 1.0970 0.5233 0.8883 0.082 Uiso calc R 1 1
C C29 0.9474(8) 0.5858(8) 0.8531(5) 0.0610(12) Uani d U 1 1
C C30 0.8518(8) 0.4909(8) 0.8756(5) 0.0602(12) Uani d U 1 1
C C31 0.8801(9) 0.3964(8) 0.9129(5) 0.0648(12) Uani d U 1 1
H H31 0.9610 0.3886 0.9213 0.078 Uiso calc R 1 1
C C32 0.7869(9) 0.3161(8) 0.9366(6) 0.0685(13) Uani d U 1 1
H H32 0.8057 0.2552 0.9631 0.082 Uiso calc R 1 1
C C33 0.6694(9) 0.3243(8) 0.9220(5) 0.0684(14) Uani d U 1 1
H H33 0.6055 0.2697 0.9375 0.082 Uiso calc R 1 1
C C34 0.6460(9) 0.4171(8) 0.8831(5) 0.0661(16) Uani d U 1 1
H H34 0.5638 0.4221 0.8719 0.079 Uiso calc R 1 1
C C35 0.3302(6) 0.9129(6) 0.3933(4) 0.0425(12) Uani d U 1 1
H H35 0.3510 0.9844 0.4219 0.051 Uiso calc R 1 1
C C36 0.4133(7) 0.8951(6) 0.3514(4) 0.0439(11) Uani d U 1 1
H H36 0.4897 0.9515 0.3535 0.053 Uiso calc R 1 1
C C37 0.3786(7) 0.7913(6) 0.3068(4) 0.0416(10) Uani d U 1 1
H H37 0.4285 0.7779 0.2750 0.050 Uiso calc R 1 1
C C38 0.2695(6) 0.7073(6) 0.3096(4) 0.0380(10) Uani d U 1 1
H H38 0.2461 0.6358 0.2807 0.046 Uiso calc R 1 1
C C39 0.1949(6) 0.7292(5) 0.3553(4) 0.0339(9) Uani d U 1 1
C C40 0.0846(6) 0.6358(6) 0.3694(4) 0.0356(9) Uani d U 1 1
C C41 0.0697(7) 0.5191(6) 0.3519(4) 0.0409(10) Uani d U 1 1
H H41 0.1247 0.4972 0.3274 0.049 Uiso calc R 1 1
C C42 -0.0277(7) 0.4353(6) 0.3710(5) 0.0464(11) Uani d U 1 1
H H42 -0.0391 0.3565 0.3601 0.056 Uiso calc R 1 1
C C43 -0.1078(7) 0.4720(6) 0.4069(5) 0.0460(11) Uani d U 1 1
H H43 -0.1743 0.4182 0.4206 0.055 Uiso calc R 1 1
C C44 -0.0871(6) 0.5902(6) 0.4219(4) 0.0422(12) Uani d U 1 1
H H44 -0.1419 0.6141 0.4457 0.051 Uiso calc R 1 1
Dy Dy1 0.04319(2) 0.89445(2) 0.429009(13) 0.01643(8) Uani d . 1 1
Dy Dy2 0.67367(2) 0.67220(2) 0.800601(14) 0.01969(8) Uani d . 1 1
N N1 0.9105(5) 0.6742(5) 0.8207(3) 0.0390(13) Uani d . 1 1
N N2 0.7338(6) 0.4996(5) 0.8606(3) 0.0407(13) Uani d . 1 1
N N3 0.0070(4) 0.6719(4) 0.4043(3) 0.0238(10) Uani d . 1 1
N N4 0.2227(5) 0.8338(4) 0.3947(3) 0.0298(11) Uani d . 1 1
O O1 0.4947(4) 0.7273(4) 0.7207(2) 0.0282(9) Uani d . 1 1
O O2 0.6118(4) 0.8495(3) 0.8205(2) 0.0267(9) Uani d . 1 1
O O3 0.0652(4) 0.9668(4) 0.5843(3) 0.0312(10) Uani d . 1 1
O O4 0.1422(4) 0.8342(4) 0.5450(2) 0.0324(10) Uani d . 1 1
O O5 0.3955(6) 1.1574(5) 0.8318(3) 0.072(2) Uani d . 1 1
H H5 0.3461 1.1943 0.8150 0.108 Uiso calc R 1 1
O O6 -0.0618(4) 0.8244(4) 0.2938(2) 0.0256(9) Uani d . 1 1
O O7 0.0951(4) 0.9848(4) 0.3114(2) 0.0307(9) Uani d . 1 1
O O8 -0.3077(5) 0.7129(6) 0.0117(3) 0.0632(18) Uani d . 1 1
O O9 -0.2044(4) 0.7600(4) -0.0800(2) 0.0281(9) Uani d . 1 1
O O10 0.2343(4) 0.9872(4) 0.0599(2) 0.0352(10) Uani d . 1 1
H H10A 0.2877 1.0299 0.0958 0.053 Uiso calc R 1 1
O O11 0.6748(4) 0.5741(4) 0.6827(2) 0.0324(10) Uani d . 1 1
O O12 0.5103(4) 0.4909(4) 0.7272(2) 0.0283(9) Uani d . 1 1
O O13 0.1492(3) 0.1884(3) 0.5452(2) 0.0263(9) Uani d . 1 1
O O14 0.2080(3) 0.0689(3) 0.4735(2) 0.0247(8) Uani d . 1 1
O O15 0.6135(4) 0.3572(4) 0.4296(2) 0.0368(11) Uani d . 1 1
H H15 0.5706 0.3213 0.3881 0.055 Uiso calc R 1 1
O O1W 0.5317(4) 0.6243(4) 0.8801(2) 0.0377(11) Uani d . 1 1
H H1WA 0.5604 0.6566 0.9261 0.057 Uiso d R 1 1
H H1WB 0.4515 0.6014 0.8712 0.057 Uiso d R 1 1
O O2W 0.7608(4) 0.8059(4) 0.7123(2) 0.0337(10) Uani d . 1 1
H H2WA 0.7579 0.7565 0.6765 0.051 Uiso d R 1 1
H H2WB 0.7932 0.8733 0.6996 0.051 Uiso d R 1 1
O O3W 0.6892(5) 0.5249(5) 0.1047(4) 0.0671(17) Uani d . 1 1
H H3WA 0.7242 0.5719 0.1452 0.101 Uiso d R 1 1
H H3WB 0.6780 0.5651 0.0666 0.101 Uiso d R 1 1
O O4W 0.2982(7) 0.3417(7) 0.7652(4) 0.106(3) Uani d . 1 1
H H4WA 0.2287 0.2884 0.7480 0.160 Uiso d R 1 1
H H4WB 0.3365 0.3533 0.7291 0.160 Uiso d R 1 1
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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
C6 C1 C2 . . 119.8(5)
C6 C1 C7 . . 120.1(5)
C2 C1 C7 . . 120.0(5)
C3 C2 C1 . . 119.5(5)
C3 C2 H2 . . 120.2
C1 C2 H2 . . 120.2
C4 C3 C2 . . 120.5(5)
C4 C3 C8 . . 120.1(5)
C2 C3 C8 . . 119.3(5)
C3 C4 C5 . . 120.4(6)
C3 C4 H4 . . 119.8
C5 C4 H4 . . 119.8
O5 C5 C4 . . 121.8(6)
O5 C5 C6 . . 118.7(5)
C4 C5 C6 . . 119.5(6)
C1 C6 C5 . . 120.3(6)
C1 C6 H6 . . 119.8
C5 C6 H6 . . 119.8
O1 C7 O2 . . 119.7(5)
O1 C7 C1 . . 120.7(5)
O2 C7 C1 . . 119.6(5)
O4 C8 O3 . . 121.5(5)
O4 C8 C3 . . 118.6(5)
O3 C8 C3 . . 119.8(5)
C14 C9 C10 . . 120.3(5)
C14 C9 C15 . . 121.7(5)
C10 C9 C15 . . 118.1(5)
C11 C10 C9 . . 119.6(5)
C11 C10 H10 . . 120.2
C9 C10 H10 . . 120.2
O10 C11 C12 . . 118.2(5)
O10 C11 C10 . . 121.6(5)
C12 C11 C10 . . 120.3(5)
C11 C12 C13 . . 119.5(5)
C11 C12 H12 . . 120.2
C13 C12 H12 . . 120.2
C14 C13 C12 . . 120.2(5)
C14 C13 C16 . . 120.5(5)
C12 C13 C16 . . 119.3(5)
C13 C14 C9 . . 120.2(5)
C13 C14 H14 . . 119.9
C9 C14 H14 . . 119.9
O7 C15 O6 . . 119.7(5)
O7 C15 C9 . . 119.8(5)
O6 C15 C9 . . 120.4(5)
O8 C16 O9 . . 124.3(5)
O8 C16 C13 . . 117.8(5)
O9 C16 C13 . . 118.0(5)
C22 C17 C18 . . 119.5(5)
C22 C17 C24 . . 119.6(5)
C18 C17 C24 . . 120.9(5)
C19 C18 C17 . . 120.2(5)
C19 C18 H18 . . 119.9
C17 C18 H18 . . 119.9
C18 C19 C20 . . 120.1(5)
C18 C19 C23 . . 119.6(5)
C20 C19 C23 . . 120.3(5)
C21 C20 C19 . . 119.3(5)
C21 C20 H20 . . 120.4
C19 C20 H20 . . 120.4
O15 C21 C22 . . 117.2(5)
O15 C21 C20 . . 122.6(5)
C22 C21 C20 . . 120.3(5)
C21 C22 C17 . . 120.5(5)
C21 C22 H22 . . 119.8
C17 C22 H22 . . 119.8
O14 C23 O13 . . 125.5(5)
O14 C23 C19 . . 118.4(5)
O13 C23 C19 . . 116.1(5)
O12 C24 O11 . . 119.8(5)
O12 C24 C17 . . 121.1(5)
O11 C24 C17 . . 119.1(5)
N1 C25 C26 . . 124.2(10)
N1 C25 H25 . . 117.9
C26 C25 H25 . . 117.9
C27 C26 C25 . . 117.1(10)
C27 C26 H26 . . 121.5
C25 C26 H26 . . 121.5
C26 C27 C28 . . 120.5(9)
C26 C27 H27 . . 119.7
C28 C27 H27 . . 119.7
C29 C28 C27 . . 118.7(9)
C29 C28 H28 . . 120.6
C27 C28 H28 . . 120.6
N1 C29 C28 . . 121.2(9)
N1 C29 C30 . . 118.0(7)
C28 C29 C30 . . 120.8(8)
N2 C30 C31 . . 120.4(9)
N2 C30 C29 . . 116.4(7)
C31 C30 C29 . . 123.1(8)
C32 C31 C30 . . 119.2(9)
C32 C31 H31 . . 120.4
C30 C31 H31 . . 120.4
C33 C32 C31 . . 120.7(9)
C33 C32 H32 . . 119.7
C31 C32 H32 . . 119.7
C32 C33 C34 . . 117.7(10)
C32 C33 H33 . . 121.1
C34 C33 H33 . . 121.1
N2 C34 C33 . . 124.2(9)
N2 C34 H34 . . 117.9
C33 C34 H34 . . 117.9
N4 C35 C36 . . 123.6(7)
N4 C35 H35 . . 118.2
C36 C35 H35 . . 118.2
C37 C36 C35 . . 117.5(6)
C37 C36 H36 . . 121.3
C35 C36 H36 . . 121.3
C36 C37 C38 . . 119.3(6)
C36 C37 H37 . . 120.4
C38 C37 H37 . . 120.4
C39 C38 C37 . . 119.8(7)
C39 C38 H38 . . 120.1
C37 C38 H38 . . 120.1
N4 C39 C38 . . 121.5(6)
N4 C39 C40 . . 116.2(5)
C38 C39 C40 . . 122.2(6)
N3 C40 C41 . . 122.5(6)
N3 C40 C39 . . 116.2(5)
C41 C40 C39 . . 121.2(6)
C42 C41 C40 . . 119.5(6)
C42 C41 H41 . . 120.2
C40 C41 H41 . . 120.2
C43 C42 C41 . . 118.2(7)
C43 C42 H42 . . 120.9
C41 C42 H42 . . 120.9
C42 C43 C44 . . 118.8(7)
C42 C43 H43 . . 120.6
C44 C43 H43 . . 120.6
N3 C44 C43 . . 123.6(6)
N3 C44 H44 . . 118.2
C43 C44 H44 . . 118.2
O13 Dy1 O3 2_566 2_576 72.52(14)
O13 Dy1 O4 2_566 . 89.48(15)
O3 Dy1 O4 2_576 . 127.26(15)
O13 Dy1 O14 2_566 1_565 134.77(13)
O3 Dy1 O14 2_576 1_565 77.83(14)
O4 Dy1 O14 . 1_565 82.03(15)
O13 Dy1 O6 2_566 . 86.34(13)
O3 Dy1 O6 2_576 . 87.44(14)
O4 Dy1 O6 . . 141.71(14)
O14 Dy1 O6 1_565 . 125.92(13)
O13 Dy1 O7 2_566 . 129.91(14)
O3 Dy1 O7 2_576 . 77.91(15)
O4 Dy1 O7 . . 140.19(15)
O14 Dy1 O7 1_565 . 73.56(13)
O6 Dy1 O7 . . 52.45(13)
O13 Dy1 N4 2_566 . 139.44(15)
O3 Dy1 N4 2_576 . 145.09(16)
O4 Dy1 N4 . . 76.16(16)
O14 Dy1 N4 1_565 . 81.22(15)
O6 Dy1 N4 . . 82.61(15)
O7 Dy1 N4 . . 69.50(16)
O13 Dy1 N3 2_566 . 76.12(14)
O3 Dy1 N3 2_576 . 141.60(15)
O4 Dy1 N3 . . 73.24(15)
O14 Dy1 N3 1_565 . 140.54(14)
O6 Dy1 N3 . . 68.80(14)
O7 Dy1 N3 . . 107.11(14)
N4 Dy1 N3 . . 63.48(15)
O13 Dy1 O3 2_566 . 73.04(13)
O3 Dy1 O3 2_576 . 78.01(14)
O4 Dy1 O3 . . 49.26(13)
O14 Dy1 O3 1_565 . 67.89(13)
O6 Dy1 O3 . . 157.51(12)
O7 Dy1 O3 . . 137.87(13)
N4 Dy1 O3 . . 118.94(14)
N3 Dy1 O3 . . 113.26(13)
O9 Dy2 O1W 1_656 . 76.99(14)
O9 Dy2 O11 1_656 . 144.48(14)
O1W Dy2 O11 . . 130.31(14)
O9 Dy2 O2W 1_656 . 102.70(15)
O1W Dy2 O2W . . 147.49(16)
O11 Dy2 O2W . . 67.17(14)
O9 Dy2 O1 1_656 . 126.34(14)
O1W Dy2 O1 . . 80.60(15)
O11 Dy2 O1 . . 84.89(14)
O2W Dy2 O1 . . 73.59(14)
O9 Dy2 O2 1_656 . 74.47(14)
O1W Dy2 O2 . . 74.31(15)
O11 Dy2 O2 . . 129.29(14)
O2W Dy2 O2 . . 74.37(14)
O1 Dy2 O2 . . 52.60(12)
O9 Dy2 O12 1_656 . 145.62(14)
O1W Dy2 O12 . . 77.65(14)
O11 Dy2 O12 . . 52.71(13)
O2W Dy2 O12 . . 111.16(13)
O1 Dy2 O12 . . 71.06(14)
O2 Dy2 O12 . . 119.80(13)
O9 Dy2 N2 1_656 . 79.69(17)
O1W Dy2 N2 . . 80.15(18)
O11 Dy2 N2 . . 83.40(17)
O2W Dy2 N2 . . 132.21(18)
O1 Dy2 N2 . . 142.38(17)
O2 Dy2 N2 . . 146.97(16)
O12 Dy2 N2 . . 73.40(16)
O9 Dy2 N1 1_656 . 67.91(15)
O1W Dy2 N1 . . 132.17(17)
O11 Dy2 N1 . . 76.59(15)
O2W Dy2 N1 . . 73.89(17)
O1 Dy2 N1 . . 146.81(16)
O2 Dy2 N1 . . 122.85(16)
O12 Dy2 N1 . . 115.59(16)
N2 Dy2 N1 . . 62.81(19)
C25 N1 C29 . . 118.1(7)
C25 N1 Dy2 . . 122.0(5)
C29 N1 Dy2 . . 119.5(5)
C34 N2 C30 . . 117.7(7)
C34 N2 Dy2 . . 118.8(5)
C30 N2 Dy2 . . 123.3(5)
C44 N3 C40 . . 117.4(5)
C44 N3 Dy1 . . 123.9(4)
C40 N3 Dy1 . . 118.7(4)
C35 N4 C39 . . 118.0(5)
C35 N4 Dy1 . . 120.5(4)
C39 N4 Dy1 . . 118.3(4)
C7 O1 Dy2 . . 93.8(3)
C7 O2 Dy2 . . 93.6(3)
C8 O3 Dy1 . 2_576 168.2(4)
C8 O3 Dy1 . . 81.1(3)
Dy1 O3 Dy1 2_576 . 101.99(14)
C8 O4 Dy1 . . 103.3(3)
C5 O5 H5 . . 109.5
C15 O6 Dy1 . . 94.6(3)
C15 O7 Dy1 . . 92.3(3)
C16 O9 Dy2 . 1_454 139.1(4)
C11 O10 H10A . . 109.5
C24 O11 Dy2 . . 96.7(3)
C24 O12 Dy2 . . 90.5(3)
C23 O13 Dy1 . 2_566 140.5(4)
C23 O14 Dy1 . 1_545 138.4(3)
C21 O15 H15 . . 109.5
Dy2 O1W H1WA . . 115.0
Dy2 O1W H1WB . . 133.5
H1WA O1W H1WB . . 107.7
Dy2 O2W H2WA . . 99.2
Dy2 O2W H2WB . . 153.0
H2WA O2W H2WB . . 107.7
H3WA O3W H3WB . . 107.7
H4WA O4W H4WB . . 107.7
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
C1 C6 . 1.377(8)
C1 C2 . 1.401(8)
C1 C7 . 1.494(8)
C2 C3 . 1.383(8)
C2 H2 . 0.9300
C3 C4 . 1.377(8)
C3 C8 . 1.505(8)
C4 C5 . 1.383(8)
C4 H4 . 0.9300
C5 O5 . 1.362(8)
C5 C6 . 1.397(9)
C6 H6 . 0.9300
C7 O1 . 1.263(7)
C7 O2 . 1.269(7)
C8 O4 . 1.246(7)
C8 O3 . 1.272(7)
C9 C14 . 1.381(8)
C9 C10 . 1.393(8)
C9 C15 . 1.499(7)
C10 C11 . 1.390(8)
C10 H10 . 0.9300
C11 O10 . 1.362(7)
C11 C12 . 1.388(8)
C12 C13 . 1.396(8)
C12 H12 . 0.9300
C13 C14 . 1.380(8)
C13 C16 . 1.511(8)
C14 H14 . 0.9300
C15 O7 . 1.260(7)
C15 O6 . 1.265(7)
C16 O8 . 1.249(7)
C16 O9 . 1.260(7)
C17 C22 . 1.392(7)
C17 C18 . 1.397(7)
C17 C24 . 1.497(8)
C18 C19 . 1.380(7)
C18 H18 . 0.9300
C19 C20 . 1.409(7)
C19 C23 . 1.502(7)
C20 C21 . 1.391(7)
C20 H20 . 0.9300
C21 O15 . 1.359(7)
C21 C22 . 1.380(8)
C22 H22 . 0.9300
C23 O14 . 1.257(6)
C23 O13 . 1.260(6)
C24 O12 . 1.262(7)
C24 O11 . 1.266(7)
C25 N1 . 1.346(11)
C25 C26 . 1.377(12)
C25 H25 . 0.9300
C26 C27 . 1.367(14)
C26 H26 . 0.9300
C27 C28 . 1.394(14)
C27 H27 . 0.9300
C28 C29 . 1.390(11)
C28 H28 . 0.9300
C29 N1 . 1.347(10)
C29 C30 . 1.470(13)
C30 N2 . 1.343(10)
C30 C31 . 1.409(12)
C31 C32 . 1.371(13)
C31 H31 . 0.9300
C32 C33 . 1.334(13)
C32 H32 . 0.9300
C33 C34 . 1.385(12)
C33 H33 . 0.9300
C34 N2 . 1.336(11)
C34 H34 . 0.9300
C35 N4 . 1.325(8)
C35 C36 . 1.389(9)
C35 H35 . 0.9300
C36 C37 . 1.371(10)
C36 H36 . 0.9300
C37 C38 . 1.372(9)
C37 H37 . 0.9300
C38 C39 . 1.372(9)
C38 H38 . 0.9300
C39 N4 . 1.345(8)
C39 C40 . 1.502(9)
C40 N3 . 1.346(7)
C40 C41 . 1.386(9)
C41 C42 . 1.384(10)
C41 H41 . 0.9300
C42 C43 . 1.383(10)
C42 H42 . 0.9300
C43 C44 . 1.384(9)
C43 H43 . 0.9300
C44 N3 . 1.335(8)
C44 H44 . 0.9300
Dy1 O13 2_566 2.287(4)
Dy1 O3 2_576 2.328(4)
Dy1 O4 . 2.355(4)
Dy1 O14 1_565 2.358(4)
Dy1 O6 . 2.444(4)
Dy1 O7 . 2.496(4)
Dy1 N4 . 2.545(5)
Dy1 N3 . 2.603(5)
Dy1 O3 . 2.818(4)
Dy2 O9 1_656 2.300(4)
Dy2 O1W . 2.346(4)
Dy2 O11 . 2.393(4)
Dy2 O2W . 2.444(4)
Dy2 O1 . 2.470(4)
Dy2 O2 . 2.472(4)
Dy2 O12 . 2.527(4)
Dy2 N2 . 2.549(6)
Dy2 N1 . 2.628(5)
O5 H5 . 0.8200
O10 H10A . 0.8200
O15 H15 . 0.8200
O1W H1WA . 0.8500
O1W H1WB . 0.8500
O2W H2WA . 0.8501
O2W H2WB . 0.8500
O3W H3WA . 0.8500
O3W H3WB . 0.8501
O4W H4WA . 0.8500
O4W H4WB . 0.8500
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O5 H5 O4W 1_565 0.82 2.15 2.910(11) 154
O10 H10A O2 2_676 0.82 1.95 2.761(6) 168
O15 H15 O1 2_666 0.82 1.92 2.718(6) 163
O1W H1WA O8 1_656 0.85 1.84 2.609(6) 150
O1W H1WB O3W 2_666 0.85 2.01 2.717(7) 141
O2W H2WA O11 . 0.85 2.15 2.676(6) 120
O2W H2WB O7 2_676 0.85 1.86 2.689(6) 164
O3W H3WA O4W 2_666 0.85 1.99 2.744(9) 147
O3W H3WB O8 1_655 0.85 2.03 2.832(9) 156
O4W H4WA O6 2_566 0.85 1.96 2.809(8) 175
O4W H4WB O12 . 0.85 2.20 2.801(8) 128
