#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/84/2228405.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_2228405
loop_
_publ_author_name
'Dong, Weiqin'
'Cai, Yaling'
'Hong, Bo'
'Jin, Hongxiao'
_publ_section_title
;
 Bis(2,6-dihydroxybenzoato-κ²O¹,O^1'^)(nitrato-κ²O,O')bis(1,10-phenanthroline-κ²N,N')dysprosium(III)
;
_journal_coeditor_code           HY2381
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1653
_journal_page_last               m1654
_journal_paper_doi               10.1107/S1600536810048348
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Dy (C7 H5 O4)2 (N O3) (C12 H8 N2)2]'
_chemical_formula_moiety         'C38 H26 Dy N5 O11'
_chemical_formula_sum            'C38 H26 Dy N5 O11'
_chemical_formula_weight         891.14
_chemical_name_systematic
;
Bis(2,6-dihydroxybenzoato-κ²O¹,O^1'^)(nitrato-
κ²O,O')bis(1,10-phenanthroline-
κ²N,N')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                 127.280(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.1268(3)
_cell_length_b                   26.7587(4)
_cell_length_c                   14.2703(5)
_cell_measurement_reflns_used    5391
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      67.52
_cell_measurement_theta_min      3.30
_cell_volume                     3380.72(18)
_computing_cell_refinement       'CrysAlis PRO (Oxford Diffraction, 2006)'
_computing_data_collection       'CrysAlis PRO (Oxford Diffraction, 2006)'
_computing_data_reduction        'CrysAlis PRO (Oxford Diffraction, 2006)'
_computing_molecular_graphics
;
DIAMOND (Brandenburg & Berndt, 1999)
;
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 15.9149
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Oxford Diffraction Gemini S Ultra CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0434
_diffrn_reflns_av_sigmaI/netI    0.0609
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11595
_diffrn_reflns_theta_full        67.08
_diffrn_reflns_theta_max         67.08
_diffrn_reflns_theta_min         3.30
_exptl_absorpt_coefficient_mu    12.464
_exptl_absorpt_correction_T_max  0.1177
_exptl_absorpt_correction_T_min  0.0973
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis PRO; Oxford Diffraction, 2006)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.751
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1772
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.676
_refine_diff_density_min         -1.157
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         5923
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.0657
_refine_ls_R_factor_gt           0.0508
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0774P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1257
_refine_ls_wR_factor_ref         0.1366
_reflns_number_gt                4674
_reflns_number_total             5923
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hy2381.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2228405
_cod_database_fobs_code          2228405
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_disorder_assembly
_atom_site_disorder_group
Dy Dy1 0.92866(4) 0.862990(11) 0.22227(3) 0.03846(13) Uani d . 1 . .
O O1 0.8450(5) 0.83886(15) 0.0261(4) 0.0522(11) Uani d . 1 . .
O O2 0.8884(5) 0.91905(15) 0.0604(4) 0.0499(10) Uani d . 1 . .
O O3 0.7499(6) 0.80195(16) -0.1748(4) 0.0702(15) Uani d . 1 . .
H H27 0.7912 0.8015 -0.1039 0.105 Uiso d R 1 . .
O O4 0.8352(8) 0.97830(17) -0.1043(5) 0.087(2) Uani d . 1 . .
H H31 0.8578 0.9702 -0.0400 0.131 Uiso d R 1 . .
O O5 0.6975(5) 0.81369(15) 0.1368(4) 0.0505(10) Uani d . 1 . .
O O6 0.6691(5) 0.89410(16) 0.1017(4) 0.0584(12) Uani d . 1 . .
O O7 0.4806(6) 0.76073(17) 0.1052(4) 0.0624(12) Uani d . 1 . .
H H34 0.5706 0.7671 0.1414 0.094 Uiso d R 1 . .
O O8 0.4205(7) 0.93749(19) 0.0292(6) 0.0822(17) Uani d . 1 . .
H H38 0.5048 0.9344 0.0461 0.123 Uiso d R 1 . .
O O9 0.9472(5) 0.80198(15) 0.3727(4) 0.0583(12) Uani d . 1 . .
O O10 0.8436(6) 0.87351(16) 0.3467(4) 0.0556(11) Uani d . 1 . .
O O11 0.8566(7) 0.8210(3) 0.4675(5) 0.0883(19) Uani d . 1 . .
N N1 1.1603(6) 0.87915(17) 0.4391(4) 0.0408(11) Uani d . 1 . .
N N2 0.9734(6) 0.95380(16) 0.2914(4) 0.0442(12) Uani d . 1 . .
N N3 1.1761(6) 0.86887(16) 0.2491(4) 0.0406(11) Uani d . 1 . .
N N4 1.0506(6) 0.78088(18) 0.2394(4) 0.0435(11) Uani d . 1 . .
N N5 0.8816(6) 0.8312(2) 0.3985(5) 0.0527(13) Uani d . 1 . .
C C1 1.2533(8) 0.8434(2) 0.5122(6) 0.0483(14) Uani d . 1 . .
H H1 1.2385 0.8112 0.4820 0.058 Uiso calc R 1 . .
C C2 1.3706(8) 0.8506(3) 0.6301(6) 0.0560(16) Uani d . 1 . .
H H2 1.4331 0.8242 0.6768 0.067 Uiso calc R 1 . .
C C3 1.3928(8) 0.8974(3) 0.6766(6) 0.0569(17) Uani d . 1 . .
H H3 1.4692 0.9030 0.7561 0.068 Uiso calc R 1 . .
C C4 1.2998(7) 0.9369(2) 0.6037(5) 0.0463(14) Uani d . 1 . .
C C5 1.1836(7) 0.9259(2) 0.4851(5) 0.0400(12) Uani d . 1 . .
C C6 1.0847(7) 0.9650(2) 0.4065(5) 0.0416(13) Uani d . 1 . .
C C7 1.1054(8) 1.0142(2) 0.4516(6) 0.0478(15) Uani d . 1 . .
C C8 1.2255(8) 1.0234(2) 0.5743(7) 0.0583(18) Uani d . 1 . .
H H8 1.2388 1.0555 0.6044 0.070 Uiso calc R 1 . .
C C9 1.3175(9) 0.9870(3) 0.6454(7) 0.0618(19) Uani d . 1 . .
H H9 1.3950 0.9943 0.7238 0.074 Uiso calc R 1 . .
C C10 1.0063(9) 1.0512(2) 0.3732(6) 0.0554(17) Uani d . 1 . .
H H10 1.0169 1.0839 0.3991 0.066 Uiso calc R 1 . .
C C11 0.8959(9) 1.0395(2) 0.2603(7) 0.0590(18) Uani d . 1 . .
H H11 0.8283 1.0638 0.2082 0.071 Uiso calc R 1 . .
C C12 0.8835(8) 0.9907(2) 0.2220(6) 0.0521(15) Uani d . 1 . .
H H12 0.8078 0.9836 0.1432 0.063 Uiso calc R 1 . .
C C13 1.2359(8) 0.9120(2) 0.2500(6) 0.0528(15) Uani d . 1 . .
H H13 1.1765 0.9406 0.2248 0.063 Uiso calc R 1 . .
C C14 1.3846(8) 0.9163(3) 0.2873(6) 0.0563(17) Uani d . 1 . .
H H14 1.4228 0.9473 0.2875 0.068 Uiso calc R 1 . .
C C15 1.4723(8) 0.8747(3) 0.3231(6) 0.0594(18) Uani d . 1 . .
H H15 1.5715 0.8772 0.3488 0.071 Uiso calc R 1 . .
C C16 1.4132(7) 0.8282(3) 0.3211(5) 0.0489(15) Uani d . 1 . .
C C17 1.2625(7) 0.8270(2) 0.2827(5) 0.0429(13) Uani d . 1 . .
C C18 1.1934(7) 0.7804(2) 0.2724(5) 0.0413(13) Uani d . 1 . .
C C19 1.2765(7) 0.7358(2) 0.2975(5) 0.0475(14) Uani d . 1 . .
C C20 1.4291(8) 0.7381(3) 0.3411(6) 0.0588(18) Uani d . 1 . .
H H20 1.4846 0.7087 0.3620 0.071 Uiso calc R 1 . .
C C21 1.4956(8) 0.7820(3) 0.3529(6) 0.0595(18) Uani d . 1 . .
H H21 1.5963 0.7826 0.3820 0.071 Uiso calc R 1 . .
C C22 1.1985(8) 0.6906(2) 0.2765(6) 0.0545(17) Uani d . 1 . .
H H22 1.2462 0.6603 0.2879 0.065 Uiso calc R 1 . .
C C23 1.0545(8) 0.6914(2) 0.2399(6) 0.0535(17) Uani d . 1 . .
H H23 1.0027 0.6617 0.2261 0.064 Uiso calc R 1 . .
C C24 0.9842(8) 0.7374(2) 0.2232(5) 0.0491(15) Uani d . 1 . .
H H24 0.8857 0.7373 0.1994 0.059 Uiso calc R 1 . .
C C25 0.8441(7) 0.8824(2) -0.0106(5) 0.0425(13) Uani d . 1 . .
C C26 0.7959(7) 0.8895(2) -0.1304(5) 0.0416(13) Uani d . 1 . .
C C27 0.7498(7) 0.8487(2) -0.2084(5) 0.0482(15) Uani d . 1 . .
C C28 0.7019(8) 0.8562(3) -0.3224(6) 0.0608(19) Uani d . 1 . .
H H28 0.6718 0.8292 -0.3732 0.073 Uiso calc R 1 . .
C C29 0.6992(9) 0.9035(3) -0.3599(6) 0.069(2) Uani d . 1 . .
H H29 0.6661 0.9082 -0.4367 0.083 Uiso calc R 1 . .
C C30 0.7440(10) 0.9440(3) -0.2870(6) 0.068(2) Uani d . 1 . .
H H30 0.7418 0.9758 -0.3144 0.082 Uiso calc R 1 . .
C C31 0.7926(9) 0.9375(2) -0.1728(6) 0.0582(18) Uani d . 1 . .
C C32 0.6131(7) 0.8522(2) 0.1013(5) 0.0474(15) Uani d . 1 . .
C C33 0.4611(7) 0.8492(2) 0.0671(5) 0.0460(14) Uani d . 1 . .
C C34 0.4014(7) 0.8037(3) 0.0719(5) 0.0504(15) Uani d . 1 . .
C C35 0.2580(7) 0.8010(3) 0.0423(5) 0.0555(17) Uani d . 1 . .
H H35 0.2199 0.7707 0.0459 0.067 Uiso calc R 1 . .
C C36 0.1724(8) 0.8441(3) 0.0071(6) 0.067(2) Uani d . 1 . .
H H36 0.0754 0.8422 -0.0139 0.080 Uiso calc R 1 . .
C C37 0.2255(9) 0.8898(3) 0.0021(6) 0.067(2) Uani d . 1 . .
H H37 0.1658 0.9183 -0.0214 0.081 Uiso calc R 1 . .
C C38 0.3692(8) 0.8923(3) 0.0329(6) 0.0594(18) Uani d . 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
_geom_angle_publ_flag
O1 Dy1 O6 . . 79.39(17) ?
O1 Dy1 O5 . . 74.42(15) ?
O6 Dy1 O5 . . 53.02(13) ?
O1 Dy1 O10 . . 143.53(17) ?
O6 Dy1 O10 . . 70.42(17) ?
O5 Dy1 O10 . . 71.23(16) ?
O1 Dy1 N4 . . 71.90(15) ?
O6 Dy1 N4 . . 134.73(16) ?
O5 Dy1 N4 . . 85.41(15) ?
O10 Dy1 N4 . . 116.50(15) ?
O1 Dy1 N3 . . 79.34(16) ?
O6 Dy1 N3 . . 142.59(16) ?
O5 Dy1 N3 . . 145.01(14) ?
O10 Dy1 N3 . . 137.05(16) ?
N4 Dy1 N3 . . 64.45(15) ?
O1 Dy1 N2 . . 122.95(14) ?
O6 Dy1 N2 . . 79.54(16) ?
O5 Dy1 N2 . . 127.03(16) ?
O10 Dy1 N2 . . 71.66(16) ?
N4 Dy1 N2 . . 145.66(16) ?
N3 Dy1 N2 . . 86.76(16) ?
O1 Dy1 O2 . . 51.87(12) ?
O6 Dy1 O2 . . 71.26(16) ?
O5 Dy1 O2 . . 107.97(14) ?
O10 Dy1 O2 . . 130.24(14) ?
N4 Dy1 O2 . . 112.92(15) ?
N3 Dy1 O2 . . 71.39(15) ?
N2 Dy1 O2 . . 71.20(14) ?
O1 Dy1 N1 . . 145.48(16) ?
O6 Dy1 N1 . . 132.75(16) ?
O5 Dy1 N1 . . 131.74(15) ?
O10 Dy1 N1 . . 70.26(16) ?
N4 Dy1 N1 . . 86.66(15) ?
N3 Dy1 N1 . . 66.91(16) ?
N2 Dy1 N1 . . 63.96(15) ?
O2 Dy1 N1 . . 118.90(14) ?
O1 Dy1 O9 . . 124.35(14) ?
O6 Dy1 O9 . . 105.28(16) ?
O5 Dy1 O9 . . 67.00(15) ?
O10 Dy1 O9 . . 49.88(15) ?
N4 Dy1 O9 . . 66.62(16) ?
N3 Dy1 O9 . . 112.12(16) ?
N2 Dy1 O9 . . 112.21(15) ?
O2 Dy1 O9 . . 174.91(14) ?
N1 Dy1 O9 . . 66.19(15) ?
C25 O1 Dy1 . . 97.6(4) ?
C25 O2 Dy1 . . 92.2(3) ?
C27 O3 H27 . . 109.5 ?
C31 O4 H31 . . 109.4 ?
C32 O5 Dy1 . . 93.5(4) ?
C32 O6 Dy1 . . 94.0(4) ?
C34 O7 H34 . . 109.5 ?
C38 O8 H38 . . 109.5 ?
N5 O9 Dy1 . . 94.6(3) ?
N5 O10 Dy1 . . 100.3(4) ?
C1 N1 C5 . . 116.9(5) ?
C1 N1 Dy1 . . 123.6(4) ?
C5 N1 Dy1 . . 119.2(4) ?
C12 N2 C6 . . 117.3(5) ?
C12 N2 Dy1 . . 122.6(4) ?
C6 N2 Dy1 . . 119.8(3) ?
C13 N3 C17 . . 118.1(6) ?
C13 N3 Dy1 . . 123.0(4) ?
C17 N3 Dy1 . . 118.1(4) ?
C24 N4 C18 . . 117.7(5) ?
C24 N4 Dy1 . . 122.8(4) ?
C18 N4 Dy1 . . 119.4(4) ?
O11 N5 O9 . . 123.8(6) ?
O11 N5 O10 . . 121.0(6) ?
O9 N5 O10 . . 115.2(5) ?
N1 C1 C2 . . 124.5(6) ?
N1 C1 H1 . . 117.8 ?
C2 C1 H1 . . 117.8 ?
C3 C2 C1 . . 118.6(6) ?
C3 C2 H2 . . 120.7 ?
C1 C2 H2 . . 120.7 ?
C2 C3 C4 . . 119.6(6) ?
C2 C3 H3 . . 120.2 ?
C4 C3 H3 . . 120.2 ?
C3 C4 C5 . . 117.7(6) ?
C3 C4 C9 . . 123.0(6) ?
C5 C4 C9 . . 119.4(6) ?
N1 C5 C4 . . 122.7(5) ?
N1 C5 C6 . . 117.4(5) ?
C4 C5 C6 . . 119.9(5) ?
N2 C6 C7 . . 122.0(5) ?
N2 C6 C5 . . 119.1(5) ?
C7 C6 C5 . . 118.9(5) ?
C10 C7 C6 . . 117.5(6) ?
C10 C7 C8 . . 123.5(6) ?
C6 C7 C8 . . 119.1(6) ?
C9 C8 C7 . . 121.3(6) ?
C9 C8 H8 . . 119.4 ?
C7 C8 H8 . . 119.4 ?
C8 C9 C4 . . 121.4(6) ?
C8 C9 H9 . . 119.3 ?
C4 C9 H9 . . 119.3 ?
C11 C10 C7 . . 120.0(6) ?
C11 C10 H10 . . 120.0 ?
C7 C10 H10 . . 120.0 ?
C10 C11 C12 . . 119.4(6) ?
C10 C11 H11 . . 120.3 ?
C12 C11 H11 . . 120.3 ?
N2 C12 C11 . . 123.8(6) ?
N2 C12 H12 . . 118.1 ?
C11 C12 H12 . . 118.1 ?
N3 C13 C14 . . 122.9(6) ?
N3 C13 H13 . . 118.5 ?
C14 C13 H13 . . 118.5 ?
C15 C14 C13 . . 119.2(6) ?
C15 C14 H14 . . 120.4 ?
C13 C14 H14 . . 120.4 ?
C14 C15 C16 . . 119.9(7) ?
C14 C15 H15 . . 120.0 ?
C16 C15 H15 . . 120.0 ?
C15 C16 C17 . . 117.4(6) ?
C15 C16 C21 . . 123.7(7) ?
C17 C16 C21 . . 118.9(6) ?
N3 C17 C16 . . 122.5(6) ?
N3 C17 C18 . . 117.6(5) ?
C16 C17 C18 . . 119.9(6) ?
N4 C18 C19 . . 122.9(6) ?
N4 C18 C17 . . 118.2(5) ?
C19 C18 C17 . . 118.8(6) ?
C22 C19 C20 . . 123.5(6) ?
C22 C19 C18 . . 116.4(6) ?
C20 C19 C18 . . 120.1(6) ?
C21 C20 C19 . . 121.2(6) ?
C21 C20 H20 . . 119.4 ?
C19 C20 H20 . . 119.4 ?
C20 C21 C16 . . 120.9(7) ?
C20 C21 H21 . . 119.5 ?
C16 C21 H21 . . 119.5 ?
C23 C22 C19 . . 120.2(6) ?
C23 C22 H22 . . 119.9 ?
C19 C22 H22 . . 119.9 ?
C22 C23 C24 . . 119.2(6) ?
C22 C23 H23 . . 120.4 ?
C24 C23 H23 . . 120.4 ?
N4 C24 C23 . . 123.4(7) ?
N4 C24 H24 . . 118.3 ?
C23 C24 H24 . . 118.3 ?
O1 C25 O2 . . 118.3(5) ?
O1 C25 C26 . . 120.4(5) ?
O2 C25 C26 . . 121.3(5) ?
C31 C26 C27 . . 117.5(6) ?
C31 C26 C25 . . 121.1(5) ?
C27 C26 C25 . . 121.4(5) ?
O3 C27 C28 . . 118.1(6) ?
O3 C27 C26 . . 121.2(6) ?
C28 C27 C26 . . 120.7(6) ?
C29 C28 C27 . . 119.7(6) ?
C29 C28 H28 . . 120.2 ?
C27 C28 H28 . . 120.2 ?
C28 C29 C30 . . 121.6(7) ?
C28 C29 H29 . . 119.2 ?
C30 C29 H29 . . 119.2 ?
C29 C30 C31 . . 119.8(7) ?
C29 C30 H30 . . 120.1 ?
C31 C30 H30 . . 120.1 ?
O4 C31 C30 . . 117.9(6) ?
O4 C31 C26 . . 121.4(6) ?
C30 C31 C26 . . 120.7(6) ?
O5 C32 O6 . . 117.8(6) ?
O5 C32 C33 . . 121.1(6) ?
O6 C32 C33 . . 121.0(6) ?
C34 C33 C38 . . 117.3(6) ?
C34 C33 C32 . . 121.3(6) ?
C38 C33 C32 . . 121.3(6) ?
O7 C34 C35 . . 116.8(6) ?
O7 C34 C33 . . 121.8(6) ?
C35 C34 C33 . . 121.4(6) ?
C34 C35 C36 . . 118.7(7) ?
C34 C35 H35 . . 120.6 ?
C36 C35 H35 . . 120.6 ?
C37 C36 C35 . . 122.4(7) ?
C37 C36 H36 . . 118.8 ?
C35 C36 H36 . . 118.8 ?
C36 C37 C38 . . 118.5(7) ?
C36 C37 H37 . . 120.8 ?
C38 C37 H37 . . 120.8 ?
O8 C38 C37 . . 117.8(7) ?
O8 C38 C33 . . 120.6(7) ?
C37 C38 C33 . . 121.7(7) ?
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 N1 . 2.597(5) y
Dy1 N2 . 2.556(4) y
Dy1 N3 . 2.545(5) y
Dy1 N4 . 2.515(5) y
Dy1 O1 . 2.442(4) y
Dy1 O2 . 2.557(4) y
Dy1 O5 . 2.458(4) y
Dy1 O6 . 2.444(5) y
Dy1 O9 . 2.604(5) y
Dy1 O10 . 2.482(5) y
O1 C25 . 1.274(7) ?
O2 C25 . 1.275(7) ?
O3 C27 . 1.340(8) ?
O3 H27 . 0.8196 ?
O4 C31 . 1.345(8) ?
O4 H31 . 0.8201 ?
O5 C32 . 1.275(7) ?
O6 C32 . 1.281(8) ?
O7 C34 . 1.348(8) ?
O7 H34 . 0.8198 ?
O8 C38 . 1.352(9) ?
O8 H38 . 0.8190 ?
O9 N5 . 1.267(7) ?
O10 N5 . 1.277(7) ?
O11 N5 . 1.205(7) ?
N1 C1 . 1.330(8) ?
N1 C5 . 1.363(7) ?
N2 C12 . 1.326(8) ?
N2 C6 . 1.363(8) ?
N3 C13 . 1.328(8) ?
N3 C17 . 1.360(8) ?
N4 C24 . 1.322(8) ?
N4 C18 . 1.356(8) ?
C1 C2 . 1.382(9) ?
C1 H1 . 0.9300 ?
C2 C3 . 1.367(10) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.402(10) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.404(8) ?
C4 C9 . 1.433(9) ?
C5 C6 . 1.439(8) ?
C6 C7 . 1.420(8) ?
C7 C10 . 1.398(9) ?
C7 C8 . 1.442(10) ?
C8 C9 . 1.329(11) ?
C8 H8 . 0.9300 ?
C9 H9 . 0.9300 ?
C10 C11 . 1.344(10) ?
C10 H10 . 0.9300 ?
C11 C12 . 1.389(9) ?
C11 H11 . 0.9300 ?
C12 H12 . 0.9300 ?
C13 C14 . 1.403(9) ?
C13 H13 . 0.9300 ?
C14 C15 . 1.360(11) ?
C14 H14 . 0.9300 ?
C15 C16 . 1.401(10) ?
C15 H15 . 0.9300 ?
C16 C17 . 1.414(8) ?
C16 C21 . 1.439(10) ?
C17 C18 . 1.425(8) ?
C18 C19 . 1.417(8) ?
C19 C22 . 1.410(10) ?
C19 C20 . 1.413(10) ?
C20 C21 . 1.344(11) ?
C20 H20 . 0.9300 ?
C21 H21 . 0.9300 ?
C22 C23 . 1.352(10) ?
C22 H22 . 0.9300 ?
C23 C24 . 1.398(9) ?
C23 H23 . 0.9300 ?
C24 H24 . 0.9300 ?
C25 C26 . 1.462(8) ?
C26 C31 . 1.411(9) ?
C26 C27 . 1.415(8) ?
C27 C28 . 1.386(10) ?
C28 C29 . 1.365(11) ?
C28 H28 . 0.9300 ?
C29 C30 . 1.371(11) ?
C29 H29 . 0.9300 ?
C30 C31 . 1.383(10) ?
C30 H30 . 0.9300 ?
C32 C33 . 1.452(9) ?
C33 C34 . 1.407(9) ?
C33 C38 . 1.418(9) ?
C34 C35 . 1.383(9) ?
C35 C36 . 1.384(11) ?
C35 H35 . 0.9300 ?
C36 C37 . 1.379(12) ?
C36 H36 . 0.9300 ?
C37 C38 . 1.380(10) ?
C37 H37 . 0.9300 ?
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
_geom_hbond_publ_flag
O3 H27 O1 . 0.82 1.86 2.577(7) 146 y
O4 H31 O2 . 0.82 1.86 2.588(6) 148 y
O7 H34 O5 . 0.82 1.91 2.592(7) 139 y
O8 H38 O6 . 0.82 1.84 2.570(7) 148 y
