#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/15/2231512.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_2231512
loop_
_publ_author_name
'Shen, Jin-Bei'
'Liu, Jia-Lu'
'Zhao, Guo-Liang'
_publ_section_title
;
 Tetrakis(μ-2-phenoxypropionato)-κ³O,O':O';κ³O:O,O',κ⁴O:O'-bis[(1,10-phenanthroline-κ²N,N')(2-phenoxypropionato-κ²O,O')dysprosium(III)]
;
_journal_coeditor_code           HB6365
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1320
_journal_paper_doi               10.1107/S1600536811034696
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Dy2 (C9 H9 O3)6 (C12 H8 N2)2]'
_chemical_formula_moiety         'C78 H70 Dy2 N4 O18'
_chemical_formula_sum            'C78 H70 Dy2 N4 O18'
_chemical_formula_weight         1676.38
_chemical_name_systematic
;
Tetrakis(μ-2-phenoxypropionato)-κ³O,O':O';
κ³O:O,O',κ⁴O:O'-
bis[(1,10-phenanthroline-κ²N,N')(2-
phenoxypropionato-κ²O,O')dysprosium(III)]
;
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 120.6570(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.47380(10)
_cell_length_b                   25.8057(3)
_cell_length_c                   13.8525(2)
_cell_measurement_reflns_used    9890
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.58
_cell_volume                     3528.32(8)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 2006)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and ω'
_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  0.0427
_diffrn_reflns_av_sigmaI/netI    0.0256
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            47810
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    2.177
_exptl_absorpt_correction_T_max  0.840
_exptl_absorpt_correction_T_min  0.710
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.578
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1684
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.756
_refine_diff_density_min         -0.494
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     463
_refine_ls_number_reflns         6224
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0357
_refine_ls_R_factor_gt           0.0245
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0204P)²+2.0937P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0503
_refine_ls_wR_factor_ref         0.0534
_reflns_number_gt                5057
_reflns_number_total             6224
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hb6365.cif
_cod_data_source_block           I
_cod_original_cell_volume        3528.32(7)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2231512
_cod_database_fobs_code          2231512
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_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
Dy Dy1 0.453434(12) 0.502684(5) 0.840438(10) 0.02670(5) Uani d . 1 1
O O1 0.6186(2) 0.51253(8) 0.78321(18) 0.0434(5) Uani d . 1 1
O O2 0.5317(2) 0.58487(8) 0.80244(17) 0.0396(5) Uani d . 1 1
O O3 0.5945(2) 0.63358(8) 0.65590(18) 0.0525(6) Uani d . 1 1
O O4 0.5818(2) 0.43014(7) 0.93621(16) 0.0378(5) Uani d . 1 1
O O6 0.8286(2) 0.34859(9) 1.15437(19) 0.0545(6) Uani d . 1 1
O O7 0.24603(19) 0.45817(7) 0.80147(15) 0.0351(5) Uani d . 1 1
O O8 0.38341(19) 0.46859(7) 0.98205(15) 0.0347(5) Uani d . 1 1
O O9 0.0919(2) 0.38935(8) 0.84166(18) 0.0428(5) Uani d . 1 1
N N1 0.3810(2) 0.43228(9) 0.68656(19) 0.0324(6) Uani d . 1 1
N N2 0.2821(2) 0.53041(9) 0.64369(19) 0.0327(6) Uani d . 1 1
C C1 0.6015(3) 0.56069(13) 0.7717(2) 0.0366(7) Uani d . 1 1
C C2 0.6729(3) 0.59088(13) 0.7208(3) 0.0461(8) Uani d . 1 1
H H2A 0.6912 0.5677 0.6741 0.055 Uiso calc R 1 1
C C3 0.8052(4) 0.61361(16) 0.8136(3) 0.0701(12) Uani d . 1 1
H H3A 0.8499 0.6317 0.7810 0.105 Uiso calc R 1 1
H H3B 0.8626 0.5862 0.8607 0.105 Uiso calc R 1 1
H H3C 0.7867 0.6373 0.8576 0.105 Uiso calc R 1 1
C C4 0.4858(3) 0.62449(13) 0.5497(3) 0.0445(8) Uani d . 1 1
C C5 0.4495(4) 0.57701(14) 0.4988(3) 0.0523(9) Uani d . 1 1
H H5A 0.4959 0.5473 0.5373 0.063 Uiso calc R 1 1
C C6 0.3424(4) 0.57372(17) 0.3886(3) 0.0648(11) Uani d . 1 1
H H6A 0.3185 0.5417 0.3527 0.078 Uiso calc R 1 1
C C7 0.2717(4) 0.6172(2) 0.3327(3) 0.0696(12) Uani d . 1 1
H H7A 0.1996 0.6148 0.2593 0.084 Uiso calc R 1 1
C C8 0.3082(4) 0.66421(18) 0.3855(4) 0.0695(12) Uani d . 1 1
H H8A 0.2607 0.6938 0.3474 0.083 Uiso calc R 1 1
C C9 0.4138(4) 0.66828(14) 0.4940(3) 0.0570(10) Uani d . 1 1
H H9A 0.4369 0.7003 0.5297 0.068 Uiso calc R 1 1
C C10 0.6565(3) 0.41422(10) 1.0358(2) 0.0310(7) Uani d . 1 1
C C11 0.7397(3) 0.36640(12) 1.0443(3) 0.0409(8) Uani d . 1 1
H H11A 0.6765 0.3383 1.0024 0.049 Uiso calc R 1 1
C C12 0.8235(4) 0.37670(15) 0.9910(3) 0.0615(10) Uani d . 1 1
H H12A 0.8721 0.3458 0.9941 0.092 Uiso calc R 1 1
H H12B 0.8868 0.4041 1.0309 0.092 Uiso calc R 1 1
H H12C 0.7653 0.3867 0.9142 0.092 Uiso calc R 1 1
C C13 0.7780(4) 0.31777(12) 1.2062(3) 0.0483(9) Uani d . 1 1
C C14 0.6469(4) 0.31529(13) 1.1806(3) 0.0580(10) Uani d . 1 1
H H14A 0.5802 0.3334 1.1192 0.070 Uiso calc R 1 1
C C15 0.6133(5) 0.28599(16) 1.2454(5) 0.0848(14) Uani d . 1 1
H H15A 0.5238 0.2845 1.2282 0.102 Uiso calc R 1 1
C C16 0.7106(8) 0.25915(19) 1.3345(5) 0.1028(19) Uani d . 1 1
H H16A 0.6872 0.2396 1.3785 0.123 Uiso calc R 1 1
C C17 0.8423(7) 0.26066(17) 1.3603(4) 0.0971(18) Uani d . 1 1
H H17A 0.9079 0.2415 1.4204 0.117 Uiso calc R 1 1
C C18 0.8778(4) 0.29032(14) 1.2974(3) 0.0677(12) Uani d . 1 1
H H18A 0.9677 0.2921 1.3155 0.081 Uiso calc R 1 1
C C19 0.2736(3) 0.45226(10) 0.9000(2) 0.0284(6) Uani d . 1 1
C C20 0.1737(3) 0.42670(11) 0.9256(2) 0.0351(7) Uani d . 1 1
H H20A 0.2227 0.4098 0.9992 0.042 Uiso calc R 1 1
C C21 0.0777(3) 0.46674(14) 0.9259(3) 0.0513(9) Uani d . 1 1
H H21A 0.0140 0.4502 0.9412 0.077 Uiso calc R 1 1
H H21B 0.0300 0.4833 0.8538 0.077 Uiso calc R 1 1
H H21C 0.1283 0.4922 0.9827 0.077 Uiso calc R 1 1
C C22 0.1558(3) 0.34625(12) 0.8335(3) 0.0464(9) Uani d . 1 1
C C23 0.0787(4) 0.31532(14) 0.7417(3) 0.0624(11) Uani d . 1 1
H H23A -0.0101 0.3246 0.6897 0.075 Uiso calc R 1 1
C C24 0.1336(5) 0.27023(16) 0.7269(4) 0.0831(14) Uani d . 1 1
H H24A 0.0814 0.2494 0.6645 0.100 Uiso calc R 1 1
C C25 0.2633(5) 0.25611(16) 0.8029(4) 0.0919(16) Uani d . 1 1
H H25A 0.3003 0.2260 0.7925 0.110 Uiso calc R 1 1
C C26 0.3375(5) 0.28667(17) 0.8938(5) 0.1056(19) Uani d . 1 1
H H26A 0.4250 0.2766 0.9472 0.127 Uiso calc R 1 1
C C27 0.2861(4) 0.33248(15) 0.9089(4) 0.0812(15) Uani d . 1 1
H H27A 0.3400 0.3537 0.9700 0.097 Uiso calc R 1 1
C C28 0.4289(3) 0.38448(12) 0.7054(3) 0.0426(8) Uani d . 1 1
H H28A 0.5034 0.3769 0.7756 0.051 Uiso calc R 1 1
C C29 0.3745(4) 0.34462(13) 0.6264(3) 0.0553(10) Uani d . 1 1
H H29A 0.4127 0.3117 0.6436 0.066 Uiso calc R 1 1
C C30 0.2646(3) 0.35470(13) 0.5238(3) 0.0503(9) Uani d . 1 1
H H30A 0.2263 0.3285 0.4704 0.060 Uiso calc R 1 1
C C31 0.0942(3) 0.41847(14) 0.3935(3) 0.0485(9) Uani d . 1 1
H H31A 0.0510 0.3931 0.3388 0.058 Uiso calc R 1 1
C C32 0.0467(3) 0.46716(14) 0.3716(3) 0.0454(8) Uani d . 1 1
H H32A -0.0284 0.4749 0.3020 0.055 Uiso calc R 1 1
C C33 0.0656(3) 0.55867(13) 0.4337(3) 0.0433(8) Uani d . 1 1
H H33A -0.0074 0.5684 0.3645 0.052 Uiso calc R 1 1
C C34 0.1306(3) 0.59444(13) 0.5165(3) 0.0447(8) Uani d . 1 1
H H34A 0.1040 0.6290 0.5040 0.054 Uiso calc R 1 1
C C35 0.2374(3) 0.57857(12) 0.6203(2) 0.0383(7) Uani d . 1 1
H H35A 0.2798 0.6034 0.6765 0.046 Uiso calc R 1 1
C C36 0.2097(3) 0.40457(12) 0.4990(3) 0.0398(8) Uani d . 1 1
C C37 0.2721(3) 0.44260(11) 0.5833(2) 0.0313(7) Uani d . 1 1
C C38 0.1095(3) 0.50737(12) 0.4535(2) 0.0368(7) Uani d . 1 1
C C39 0.2203(3) 0.49463(11) 0.5605(2) 0.0316(7) Uani d . 1 1
O O5 0.66605(19) 0.43284(7) 1.12245(15) 0.0339(5) Uani d . 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'
Dy Dy -0.1892 4.4098 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O8 Dy1 O4 3_667 . 73.74(7)
O8 Dy1 O5 3_667 3_667 77.87(7)
O4 Dy1 O5 . 3_667 134.95(7)
O8 Dy1 O1 3_667 . 88.29(7)
O4 Dy1 O1 . . 84.10(7)
O5 Dy1 O1 3_667 . 129.42(7)
O8 Dy1 O7 3_667 . 123.51(7)
O4 Dy1 O7 . . 90.56(7)
O5 Dy1 O7 3_667 . 76.83(7)
O1 Dy1 O7 . . 144.82(7)
O8 Dy1 O2 3_667 . 76.51(7)
O4 Dy1 O2 . . 128.28(7)
O5 Dy1 O2 3_667 . 75.89(7)
O1 Dy1 O2 . . 53.54(7)
O7 Dy1 O2 . . 141.10(7)
O8 Dy1 N2 3_667 . 144.82(7)
O4 Dy1 N2 . . 139.62(7)
O5 Dy1 N2 3_667 . 79.44(7)
O1 Dy1 N2 . . 85.71(8)
O7 Dy1 N2 . . 76.07(7)
O2 Dy1 N2 . . 72.09(7)
O8 Dy1 N1 3_667 . 147.16(7)
O4 Dy1 N1 . . 75.53(7)
O5 Dy1 N1 3_667 . 133.69(7)
O1 Dy1 N1 . . 77.28(7)
O7 Dy1 N1 . . 67.74(7)
O2 Dy1 N1 . . 115.25(7)
N2 Dy1 N1 . . 64.11(7)
O8 Dy1 O8 3_667 . 72.80(7)
O4 Dy1 O8 . . 69.56(7)
O5 Dy1 O8 3_667 . 69.02(6)
O1 Dy1 O8 . . 150.83(7)
O7 Dy1 O8 . . 51.08(6)
O2 Dy1 O8 . . 137.15(7)
N2 Dy1 O8 . . 122.48(7)
N1 Dy1 O8 . . 106.73(7)
O8 Dy1 C1 3_667 . 83.52(8)
O4 Dy1 C1 . . 107.99(9)
O5 Dy1 C1 3_667 . 102.64(9)
O1 Dy1 C1 . . 26.90(8)
O7 Dy1 C1 . . 151.28(7)
O2 Dy1 C1 . . 26.79(8)
N2 Dy1 C1 . . 75.64(8)
N1 Dy1 C1 . . 95.25(9)
O8 Dy1 C1 . . 155.99(7)
O8 Dy1 C19 3_667 . 98.53(7)
O4 Dy1 C19 . . 79.17(7)
O5 Dy1 C19 3_667 . 71.26(7)
O1 Dy1 C19 . . 159.31(7)
O7 Dy1 C19 . . 25.19(7)
O2 Dy1 C19 . . 147.06(7)
N2 Dy1 C19 . . 99.19(8)
N1 Dy1 C19 . . 86.74(8)
O8 Dy1 C19 . . 25.89(6)
C1 Dy1 C19 . . 172.83(9)
O8 Dy1 Dy1 3_667 3_667 38.94(5)
O4 Dy1 Dy1 . 3_667 66.85(5)
O5 Dy1 Dy1 3_667 3_667 69.01(4)
O1 Dy1 Dy1 . 3_667 123.85(5)
O7 Dy1 Dy1 . 3_667 84.77(4)
O2 Dy1 Dy1 . 3_667 110.26(5)
N2 Dy1 Dy1 . 3_667 146.11(6)
N1 Dy1 Dy1 . 3_667 132.80(5)
O8 Dy1 Dy1 . 3_667 33.87(4)
C1 Dy1 Dy1 . 3_667 122.35(6)
C19 Dy1 Dy1 . 3_667 59.65(5)
C1 O1 Dy1 . . 92.75(19)
C1 O2 Dy1 . . 90.56(18)
C4 O3 C2 . . 118.7(3)
C10 O4 Dy1 . . 139.55(18)
C13 O6 C11 . . 119.1(3)
C19 O7 Dy1 . . 98.10(16)
C19 O8 Dy1 . 3_667 162.47(19)
C19 O8 Dy1 . . 89.09(16)
Dy1 O8 Dy1 3_667 . 107.20(7)
C22 O9 C20 . . 117.3(2)
C28 N1 C37 . . 117.2(3)
C28 N1 Dy1 . . 124.38(19)
C37 N1 Dy1 . . 117.64(18)
C35 N2 C39 . . 117.5(2)
C35 N2 Dy1 . . 121.60(19)
C39 N2 Dy1 . . 120.41(18)
O2 C1 O1 . . 122.5(3)
O2 C1 C2 . . 119.2(3)
O1 C1 C2 . . 118.3(3)
O2 C1 Dy1 . . 62.65(16)
O1 C1 Dy1 . . 60.35(16)
C2 C1 Dy1 . . 173.9(2)
O3 C2 C3 . . 105.9(3)
O3 C2 C1 . . 111.8(3)
C3 C2 C1 . . 110.1(3)
O3 C2 H2A . . 109.7
C3 C2 H2A . . 109.7
C1 C2 H2A . . 109.7
C2 C3 H3A . . 109.5
C2 C3 H3B . . 109.5
H3A C3 H3B . . 109.5
C2 C3 H3C . . 109.5
H3A C3 H3C . . 109.5
H3B C3 H3C . . 109.5
C5 C4 O3 . . 125.0(3)
C5 C4 C9 . . 120.4(3)
O3 C4 C9 . . 114.5(3)
C4 C5 C6 . . 119.1(3)
C4 C5 H5A . . 120.4
C6 C5 H5A . . 120.4
C7 C6 C5 . . 120.5(4)
C7 C6 H6A . . 119.7
C5 C6 H6A . . 119.7
C8 C7 C6 . . 119.5(4)
C8 C7 H7A . . 120.3
C6 C7 H7A . . 120.3
C7 C8 C9 . . 120.9(4)
C7 C8 H8A . . 119.6
C9 C8 H8A . . 119.6
C8 C9 C4 . . 119.5(4)
C8 C9 H9A . . 120.2
C4 C9 H9A . . 120.2
O5 C10 O4 . . 127.1(3)
O5 C10 C11 . . 119.5(2)
O4 C10 C11 . . 113.3(3)
O6 C11 C12 . . 107.3(3)
O6 C11 C10 . . 115.2(3)
C12 C11 C10 . . 110.5(3)
O6 C11 H11A . . 107.9
C12 C11 H11A . . 107.9
C10 C11 H11A . . 107.9
C11 C12 H12A . . 109.5
C11 C12 H12B . . 109.5
H12A C12 H12B . . 109.5
C11 C12 H12C . . 109.5
H12A C12 H12C . . 109.5
H12B C12 H12C . . 109.5
C14 C13 O6 . . 126.4(3)
C14 C13 C18 . . 120.1(4)
O6 C13 C18 . . 113.3(4)
C13 C14 C15 . . 119.9(4)
C13 C14 H14A . . 120.1
C15 C14 H14A . . 120.1
C16 C15 C14 . . 120.1(5)
C16 C15 H15A . . 119.9
C14 C15 H15A . . 119.9
C15 C16 C17 . . 120.6(5)
C15 C16 H16A . . 119.7
C17 C16 H16A . . 119.7
C16 C17 C18 . . 119.9(5)
C16 C17 H17A . . 120.0
C18 C17 H17A . . 120.0
C17 C18 C13 . . 119.3(5)
C17 C18 H18A . . 120.4
C13 C18 H18A . . 120.4
O7 C19 O8 . . 121.7(3)
O7 C19 C20 . . 120.8(2)
O8 C19 C20 . . 117.5(2)
O7 C19 Dy1 . . 56.71(14)
O8 C19 Dy1 . . 65.02(15)
C20 C19 Dy1 . . 177.16(19)
O9 C20 C21 . . 106.6(2)
O9 C20 C19 . . 111.3(2)
C21 C20 C19 . . 110.0(2)
O9 C20 H20A . . 109.6
C21 C20 H20A . . 109.6
C19 C20 H20A . . 109.6
C20 C21 H21A . . 109.5
C20 C21 H21B . . 109.5
H21A C21 H21B . . 109.5
C20 C21 H21C . . 109.5
H21A C21 H21C . . 109.5
H21B C21 H21C . . 109.5
C27 C22 O9 . . 125.0(3)
C27 C22 C23 . . 119.6(3)
O9 C22 C23 . . 115.4(3)
C22 C23 C24 . . 119.8(4)
C22 C23 H23A . . 120.1
C24 C23 H23A . . 120.1
C25 C24 C23 . . 120.6(4)
C25 C24 H24A . . 119.7
C23 C24 H24A . . 119.7
C26 C25 C24 . . 118.9(4)
C26 C25 H25A . . 120.6
C24 C25 H25A . . 120.6
C25 C26 C27 . . 121.5(4)
C25 C26 H26A . . 119.2
C27 C26 H26A . . 119.2
C22 C27 C26 . . 119.5(4)
C22 C27 H27A . . 120.3
C26 C27 H27A . . 120.3
N1 C28 C29 . . 123.9(3)
N1 C28 H28A . . 118.0
C29 C28 H28A . . 118.0
C30 C29 C28 . . 119.0(3)
C30 C29 H29A . . 120.5
C28 C29 H29A . . 120.5
C29 C30 C36 . . 119.7(3)
C29 C30 H30A . . 120.2
C36 C30 H30A . . 120.2
C32 C31 C36 . . 121.6(3)
C32 C31 H31A . . 119.2
C36 C31 H31A . . 119.2
C31 C32 C38 . . 121.1(3)
C31 C32 H32A . . 119.4
C38 C32 H32A . . 119.4
C34 C33 C38 . . 119.4(3)
C34 C33 H33A . . 120.3
C38 C33 H33A . . 120.3
C33 C34 C35 . . 119.1(3)
C33 C34 H34A . . 120.5
C35 C34 H34A . . 120.5
N2 C35 C34 . . 123.9(3)
N2 C35 H35A . . 118.1
C34 C35 H35A . . 118.1
C30 C36 C37 . . 117.6(3)
C30 C36 C31 . . 123.3(3)
C37 C36 C31 . . 119.1(3)
N1 C37 C36 . . 122.7(3)
N1 C37 C39 . . 117.9(2)
C36 C37 C39 . . 119.4(3)
C33 C38 C39 . . 118.0(3)
C33 C38 C32 . . 123.2(3)
C39 C38 C32 . . 118.9(3)
N2 C39 C38 . . 122.1(3)
N2 C39 C37 . . 118.0(2)
C38 C39 C37 . . 119.8(3)
C10 O5 Dy1 . 3_667 134.66(18)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Dy1 O8 3_667 2.3252(18) y
Dy1 O4 . 2.3328(18) y
Dy1 O5 3_667 2.3731(19) y
Dy1 O1 . 2.412(2) y
Dy1 O7 . 2.4421(19) y
Dy1 O2 . 2.462(2) y
Dy1 N2 . 2.518(2) y
Dy1 N1 . 2.594(2) y
Dy1 O8 . 2.622(2) y
Dy1 Dy1 3_667 3.9857(3) ?
O1 C1 . 1.256(4) ?
O2 C1 . 1.249(4) ?
O3 C4 . 1.379(4) ?
O3 C2 . 1.417(4) ?
O4 C10 . 1.265(3) ?
O6 C13 . 1.382(4) ?
O6 C11 . 1.411(4) ?
O7 C19 . 1.243(3) ?
O8 C19 . 1.263(3) ?
O8 Dy1 3_667 2.3252(18) ?
O9 C22 . 1.368(4) ?
O9 C20 . 1.431(3) ?
N1 C28 . 1.321(4) ?
N1 C37 . 1.362(3) ?
N2 C35 . 1.320(4) ?
N2 C39 . 1.360(4) ?
C1 C2 . 1.537(4) ?
C2 C3 . 1.520(5) ?
C2 H2A . 0.9800 ?
C3 H3A . 0.9600 ?
C3 H3B . 0.9600 ?
C3 H3C . 0.9600 ?
C4 C5 . 1.369(5) ?
C4 C9 . 1.380(5) ?
C5 C6 . 1.391(5) ?
C5 H5A . 0.9300 ?
C6 C7 . 1.370(5) ?
C6 H6A . 0.9300 ?
C7 C8 . 1.368(6) ?
C7 H7A . 0.9300 ?
C8 C9 . 1.371(5) ?
C8 H8A . 0.9300 ?
C9 H9A . 0.9300 ?
C10 O5 . 1.245(3) ?
C10 C11 . 1.528(4) ?
C11 C12 . 1.504(5) ?
C11 H11A . 0.9800 ?
C12 H12A . 0.9600 ?
C12 H12B . 0.9600 ?
C12 H12C . 0.9600 ?
C13 C14 . 1.359(5) ?
C13 C18 . 1.391(5) ?
C14 C15 . 1.370(5) ?
C14 H14A . 0.9300 ?
C15 C16 . 1.358(7) ?
C15 H15A . 0.9300 ?
C16 C17 . 1.365(7) ?
C16 H16A . 0.9300 ?
C17 C18 . 1.368(6) ?
C17 H17A . 0.9300 ?
C18 H18A . 0.9300 ?
C19 C20 . 1.514(4) ?
C20 C21 . 1.511(4) ?
C20 H20A . 0.9800 ?
C21 H21A . 0.9600 ?
C21 H21B . 0.9600 ?
C21 H21C . 0.9600 ?
C22 C27 . 1.364(5) ?
C22 C23 . 1.375(5) ?
C23 C24 . 1.388(5) ?
C23 H23A . 0.9300 ?
C24 C25 . 1.364(6) ?
C24 H24A . 0.9300 ?
C25 C26 . 1.356(6) ?
C25 H25A . 0.9300 ?
C26 C27 . 1.384(5) ?
C26 H26A . 0.9300 ?
C27 H27A . 0.9300 ?
C28 C29 . 1.396(4) ?
C28 H28A . 0.9300 ?
C29 C30 . 1.360(5) ?
C29 H29A . 0.9300 ?
C30 C36 . 1.397(4) ?
C30 H30A . 0.9300 ?
C31 C32 . 1.341(5) ?
C31 C36 . 1.430(4) ?
C31 H31A . 0.9300 ?
C32 C38 . 1.432(4) ?
C32 H32A . 0.9300 ?
C33 C34 . 1.361(4) ?
C33 C38 . 1.393(4) ?
C33 H33A . 0.9300 ?
C34 C35 . 1.393(4) ?
C34 H34A . 0.9300 ?
C35 H35A . 0.9300 ?
C36 C37 . 1.410(4) ?
C37 C39 . 1.437(4) ?
C38 C39 . 1.414(4) ?
O5 Dy1 3_667 2.3731(19) ?
