#------------------------------------------------------------------------------
#$Date: 2019-02-03 22:57:48 +0200 (Sun, 03 Feb 2019) $
#$Revision: 213464 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/14/2021419.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_2021419
loop_
_publ_author_name
'Xiang, Zheng'
'Shan, Yue-Bin'
'Li, Tao'
'Huang, Chang-Cang'
'Huang, Xi-He'
'Lin, Mei-Jin'
_publ_section_title
;
 Four isostructural lanthanide(III) coordination compounds based on a new
 N-oxydic pyridyl naphthalenediimide ligand: synthesis and
 characterization
;
_journal_coeditor_code           QF3018
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              38
_journal_page_last               45
_journal_paper_doi               10.1107/S2053229618017357
_journal_volume                  75
_journal_year                    2019
_chemical_formula_iupac          '[Dy (C26 H16 N4 O4)1.5 (N O3)3], C H4 O'
_chemical_formula_moiety         'C39 H24 Dy N9 O18, C H4 O'
_chemical_formula_sum            'C40 H28 Dy N9 O19'
_chemical_formula_weight         1100.20
_chemical_name_systematic
'catena-poly[[[tris(nitrato-κ²O,O')dysprosium(III)]-bis{μ-N,N'-bis[(1-oxidopyridin-1-ium-3-yl)methyl]-1,8:4,5-naphthalenetetracarboxdiimide-κ²O:O'}-[tris(nitrato-κ²O,O')dysprosium(III)]-μ-N,N'-bis[(1-oxidopyridin-1-ium-3-yl)methyl]-1,8:4,5-naphthalenetetracarboxdiimide-κ²O:O'] methanol disolvate]'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_method
;
Olex2 1.2-alpha
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_cell_angle_alpha                109.461(4)
_cell_angle_beta                 103.600(4)
_cell_angle_gamma                106.050(4)
_cell_formula_units_Z            2
_cell_length_a                   9.8244(5)
_cell_length_b                   15.2522(7)
_cell_length_c                   15.9247(7)
_cell_measurement_reflns_used    5987
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.9540
_cell_measurement_theta_min      2.7810
_cell_volume                     2016.2(2)
_computing_cell_refinement
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_data_collection
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_data_reduction
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      173.15
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0488
_diffrn_reflns_av_unetI/netI     0.0753
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14386
_diffrn_reflns_theta_full        24.711
_diffrn_reflns_theta_max         24.711
_diffrn_reflns_theta_min         2.783
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.951
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.954
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Rigaku OD, 2015)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.812
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1096
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.337
_refine_diff_density_min         -0.828
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     624
_refine_ls_number_reflns         6647
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0553
_refine_ls_R_factor_gt           0.0411
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0371P)²+1.0370P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0863
_refine_ls_wR_factor_ref         0.0909
_reflns_number_gt                5554
_reflns_number_total             6647
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            qf3018sup1.cif
_cod_data_source_block           Dy
_cod_depositor_comments
'Adding full bibliography for 2021417--2021420.cif.'
_cod_original_cell_volume        2016.25(18)
_cod_database_code               2021419
_cod_database_fobs_code          2021419
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.720
_shelx_estimated_absorpt_t_max   0.800
loop_
_space_group_symop_operation_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_occupancy
Dy Dy1 0.76935(3) 0.82379(2) 0.63607(2) 0.02135(10) Uani d 1
O O1 0.0059(4) 0.1539(3) 0.2559(2) 0.0260(8) Uani d 1
O O2 -0.0601(4) 0.4254(3) 0.0713(3) 0.0522(12) Uani d 1
O O3 0.1757(4) 0.2205(3) -0.0385(2) 0.0298(9) Uani d 1
O O4 0.6327(4) 0.8479(3) 0.2729(3) 0.0347(9) Uani d 1
O O5 0.8742(4) 0.6404(3) 0.1764(3) 0.0376(10) Uani d 1
O O6 0.9351(4) 0.9223(3) 0.5956(2) 0.0269(8) Uani d 1
O O7 0.8239(4) 0.6929(3) 0.5445(2) 0.0284(9) Uani d 1
O O8 1.3053(4) 0.6844(3) 0.8694(3) 0.0351(9) Uani d 1
O O9 1.3646(4) 0.8709(3) 0.7012(3) 0.0309(9) Uani d 1
O O10 0.5024(4) 0.7124(3) 0.5470(3) 0.0362(10) Uani d 1
O O11 0.6224(4) 0.7748(3) 0.4690(2) 0.0337(9) Uani d 1
O O12 0.3740(4) 0.7020(3) 0.4085(3) 0.0493(12) Uani d 1
O O13 0.8452(4) 1.0010(3) 0.7477(3) 0.0280(9) Uani d 1
O O14 0.6313(4) 0.9343(3) 0.6309(3) 0.0336(9) Uani d 1
O O15 0.7002(5) 1.0857(3) 0.7419(3) 0.0423(10) Uani d 1
O O16 0.7035(4) 0.6946(3) 0.7013(3) 0.0330(9) Uani d 1
O O17 0.6825(4) 0.8368(3) 0.7698(3) 0.0287(9) Uani d 1
O O18 0.6438(4) 0.7259(3) 0.8291(3) 0.0334(9) Uani d 1
N N1 -0.0460(4) 0.1211(3) 0.1608(3) 0.0220(10) Uani d 1
N N2 0.0623(4) 0.3219(3) 0.0269(3) 0.0242(10) Uani d 1
N N3 1.0002(5) 0.8986(3) 0.5304(3) 0.0240(10) Uani d 1
N N4 0.7532(5) 0.7430(3) 0.2257(3) 0.0234(10) Uani d 1
N N5 0.8957(5) 0.6424(3) 0.5797(3) 0.0274(11) Uani d 1
N N6 1.3516(5) 0.7776(3) 0.7867(3) 0.0260(10) Uani d 1
N N7 0.4950(6) 0.7290(4) 0.4722(3) 0.0346(12) Uani d 1
N N8 0.7251(6) 1.0095(4) 0.7083(3) 0.0301(11) Uani d 1
N N9 0.6754(5) 0.7517(4) 0.7682(3) 0.0271(11) Uani d 1
C C1 -0.1117(5) 0.0210(4) 0.1050(4) 0.0223(12) Uani d 1
H H1 -0.1188 -0.0256 0.1328 0.027 Uiso calc 1
C C2 -0.1681(5) -0.0129(4) 0.0077(4) 0.0224(12) Uani d 1
H H2 -0.2164 -0.0832 -0.0322 0.027 Uiso calc 1
C C3 -0.1547(5) 0.0555(4) -0.0321(4) 0.0247(12) Uani d 1
H H3 -0.1935 0.0319 -0.0995 0.030 Uiso calc 1
C C4 -0.0855(5) 0.1579(4) 0.0253(3) 0.0214(12) Uani d 1
C C5 -0.0320(5) 0.1899(4) 0.1232(4) 0.0224(12) Uani d 1
H H5 0.0147 0.2600 0.1643 0.027 Uiso calc 1
C C6 -0.0806(6) 0.2328(4) -0.0183(4) 0.0320(14) Uani d 1
H H6A -0.0977 0.1980 -0.0869 0.038 Uiso calc 1
H H6B -0.1651 0.2554 -0.0141 0.038 Uiso calc 1
C C7 0.0576(6) 0.4174(4) 0.0694(4) 0.0307(13) Uani d 1
C C8 0.2039(5) 0.5060(4) 0.1111(4) 0.0220(12) Uani d 1
C C9 0.2102(6) 0.6014(4) 0.1576(4) 0.0328(14) Uani d 1
H H9 0.1202 0.6106 0.1627 0.039 Uiso calc 1
C C10 0.3471(6) 0.6853(4) 0.1975(4) 0.0273(13) Uani d 1
H H10 0.3499 0.7509 0.2297 0.033 Uiso calc 1
C C11 0.4785(5) 0.6726(4) 0.1900(3) 0.0220(12) Uani d 1
C C12 0.6239(6) 0.7616(4) 0.2328(4) 0.0263(12) Uani d 1
C C13 0.7554(6) 0.6485(4) 0.1800(4) 0.0262(12) Uani d 1
C C14 0.6083(5) 0.5600(4) 0.1352(3) 0.0196(11) Uani d 1
C C15 0.6029(5) 0.4656(4) 0.0879(3) 0.0198(11) Uani d 1
H H15 0.6930 0.4561 0.0838 0.024 Uiso calc 1
C C16 0.4632(5) 0.3822(4) 0.0454(3) 0.0210(11) Uani d 1
H H16 0.4591 0.3167 0.0111 0.025 Uiso calc 1
C C17 0.3332(5) 0.3948(4) 0.0530(3) 0.0191(11) Uani d 1
C C18 0.1887(6) 0.3054(4) 0.0092(4) 0.0241(12) Uani d 1
C C19 0.3365(5) 0.4912(4) 0.1018(3) 0.0186(11) Uani d 1
C C20 0.4752(6) 0.5760(4) 0.1428(3) 0.0201(11) Uani d 1
C C21 1.1432(6) 0.9040(4) 0.5585(4) 0.0329(14) Uani d 1
H H21 1.1974 0.9245 0.6242 0.039 Uiso calc 1
C C22 1.2118(7) 0.8803(5) 0.4937(4) 0.0385(15) Uani d 1
H H22 1.3126 0.8831 0.5137 0.046 Uiso calc 1
C C23 1.1326(6) 0.8522(4) 0.3988(4) 0.0337(14) Uani d 1
H H23 1.1782 0.8341 0.3527 0.040 Uiso calc 1
C C24 0.9876(6) 0.8504(4) 0.3706(4) 0.0241(12) Uani d 1
C C25 0.9211(6) 0.8730(4) 0.4382(4) 0.0228(12) Uani d 1
H H25 0.8203 0.8705 0.4199 0.027 Uiso calc 1
C C26 0.8997(6) 0.8294(4) 0.2691(4) 0.0287(13) Uani d 1
H H26A 0.8814 0.8901 0.2694 0.034 Uiso calc 1
H H26B 0.9622 0.8162 0.2295 0.034 Uiso calc 1
C C27 0.8158(7) 0.5545(4) 0.5769(4) 0.0374(15) Uani d 1
H H27 0.7080 0.5276 0.5504 0.045 Uiso calc 1
C C28 0.8897(7) 0.5026(5) 0.6126(5) 0.0489(17) Uani d 1
H H28 0.8325 0.4395 0.6098 0.059 Uiso calc 1
C C29 1.0474(7) 0.5421(5) 0.6529(5) 0.0436(16) Uani d 1
H H29 1.0991 0.5072 0.6785 0.052 Uiso calc 1
C C30 1.1276(6) 0.6337(4) 0.6548(4) 0.0279(13) Uani d 1
C C31 1.0492(6) 0.6819(4) 0.6161(4) 0.0266(13) Uani d 1
H H31 1.1036 0.7434 0.6151 0.032 Uiso calc 1
C C32 1.2987(6) 0.6837(4) 0.6992(4) 0.0317(13) Uani d 1
H H32A 1.3393 0.6362 0.7150 0.038 Uiso calc 1
H H32B 1.3393 0.6992 0.6522 0.038 Uiso calc 1
C C33 1.3575(6) 0.7677(4) 0.8713(4) 0.0268(13) Uani d 1
C C34 1.4299(5) 0.8605(4) 0.9616(4) 0.0228(12) Uani d 1
C C35 1.4686(5) 0.9552(4) 0.9570(4) 0.0235(12) Uani d 1
C C36 1.4469(5) 0.9622(4) 0.8684(4) 0.0231(12) Uani d 1
C C37 1.3850(6) 0.8689(4) 0.7785(4) 0.0269(13) Uani d 1
C C38 1.4556(6) 0.8576(4) 1.0485(4) 0.0277(13) Uani d 1
H H38 1.4313 0.7940 1.0510 0.033 Uiso calc 1
C C39 1.4837(5) 1.0554(4) 0.8663(4) 0.0249(12) Uani d 1
H H39 1.4677 1.0601 0.8071 0.030 Uiso calc 1
O O19 0.7050(5) 0.5802(4) 0.3450(3) 0.0541(12) Uani d 1
H H19 0.7509 0.6231 0.4020 0.081 Uiso calc 1
C C40 0.5541(7) 0.5245(5) 0.3320(4) 0.0495(18) Uani d 1
H H40A 0.5549 0.5022 0.3831 0.074 Uiso calc 1
H H40B 0.5076 0.4655 0.2700 0.074 Uiso calc 1
H H40C 0.4954 0.5672 0.3339 0.074 Uiso calc 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
O1 Dy1 O7 2_666 . 79.16(12)
O1 Dy1 O10 2_666 . 144.36(13)
O1 Dy1 O11 2_666 . 146.61(12)
O1 Dy1 O13 2_666 . 80.66(12)
O1 Dy1 O14 2_666 . 132.53(13)
O1 Dy1 O16 2_666 . 73.18(12)
O1 Dy1 O17 2_666 . 82.97(12)
O1 Dy1 N7 2_666 . 160.05(13)
O1 Dy1 N8 2_666 . 106.40(14)
O1 Dy1 N9 2_666 . 75.82(12)
O6 Dy1 O1 . 2_666 81.05(12)
O6 Dy1 O7 . . 85.31(13)
O6 Dy1 O10 . . 130.24(12)
O6 Dy1 O11 . . 78.02(12)
O6 Dy1 O13 . . 71.96(12)
O6 Dy1 O14 . . 85.75(13)
O6 Dy1 O16 . . 150.62(12)
O6 Dy1 O17 . . 138.97(12)
O6 Dy1 N7 . . 103.64(13)
O6 Dy1 N8 . . 79.04(12)
O6 Dy1 N9 . . 153.69(12)
O7 Dy1 O10 . . 86.27(13)
O7 Dy1 O11 . . 73.47(13)
O7 Dy1 O13 . . 151.62(12)
O7 Dy1 O14 . . 144.88(13)
O7 Dy1 O16 . . 76.33(12)
O7 Dy1 O17 . . 128.08(12)
O7 Dy1 N7 . . 81.89(13)
O7 Dy1 N8 . . 162.21(12)
O7 Dy1 N9 . . 102.26(13)
O10 Dy1 O11 . . 52.62(12)
O10 Dy1 O13 . . 121.32(13)
O10 Dy1 O14 . . 74.04(13)
O10 Dy1 O16 . . 71.83(12)
O10 Dy1 O17 . . 80.82(12)
O10 Dy1 N7 . . 26.61(12)
O10 Dy1 N8 . . 97.36(14)
O10 Dy1 N9 . . 75.79(12)
O11 Dy1 O13 . . 116.40(12)
O11 Dy1 O16 . . 117.17(12)
O11 Dy1 N7 . . 26.39(12)
O11 Dy1 N8 . . 94.85(13)
O11 Dy1 N9 . . 128.26(12)
O13 Dy1 O16 . . 116.27(12)
O13 Dy1 N7 . . 119.29(13)
O13 Dy1 N8 . . 25.88(12)
O13 Dy1 N9 . . 91.85(12)
O14 Dy1 O11 . . 71.46(13)
O14 Dy1 O13 . . 51.93(12)
O14 Dy1 O16 . . 122.17(12)
O14 Dy1 N7 . . 67.42(13)
O14 Dy1 N8 . . 26.13(13)
O14 Dy1 N9 . . 100.70(13)
O16 Dy1 N7 . . 96.34(13)
O16 Dy1 N8 . . 121.38(12)
O16 Dy1 N9 . . 26.04(12)
O17 Dy1 O11 . . 129.26(12)
O17 Dy1 O13 . . 68.28(12)
O17 Dy1 O14 . . 77.83(12)
O17 Dy1 O16 . . 51.83(12)
O17 Dy1 N7 . . 104.16(13)
O17 Dy1 N8 . . 69.70(12)
O17 Dy1 N9 . . 25.83(12)
N7 Dy1 N8 . . 93.55(14)
N7 Dy1 N9 . . 102.37(13)
N8 Dy1 N9 . . 95.51(13)
N1 O1 Dy1 . 2_666 132.6(3)
N3 O6 Dy1 . . 131.2(3)
N5 O7 Dy1 . . 124.5(3)
N7 O10 Dy1 . . 95.3(3)
N7 O11 Dy1 . . 95.2(3)
N8 O13 Dy1 . . 95.6(3)
N8 O14 Dy1 . . 96.1(3)
N9 O16 Dy1 . . 93.6(3)
N9 O17 Dy1 . . 97.3(3)
O1 N1 C1 . . 119.2(4)
O1 N1 C5 . . 119.0(4)
C1 N1 C5 . . 121.8(4)
C7 N2 C6 . . 118.5(4)
C7 N2 C18 . . 124.7(4)
C18 N2 C6 . . 115.9(4)
O6 N3 C25 . . 118.9(4)
C21 N3 O6 . . 119.5(4)
C21 N3 C25 . . 121.5(4)
C12 N4 C26 . . 118.3(4)
C13 N4 C12 . . 125.3(4)
C13 N4 C26 . . 116.5(4)
O7 N5 C31 . . 118.6(4)
C27 N5 O7 . . 120.1(4)
C27 N5 C31 . . 121.3(5)
C33 N6 C32 . . 116.9(4)
C33 N6 C37 . . 124.7(5)
C37 N6 C32 . . 118.3(4)
O10 N7 Dy1 . . 58.1(2)
O11 N7 Dy1 . . 58.4(2)
O11 N7 O10 . . 115.4(4)
O12 N7 Dy1 . . 169.9(4)
O12 N7 O10 . . 122.2(5)
O12 N7 O11 . . 122.5(5)
O13 N8 Dy1 . . 58.5(2)
O13 N8 O14 . . 116.0(4)
O14 N8 Dy1 . . 57.8(3)
O15 N8 Dy1 . . 175.7(3)
O15 N8 O13 . . 122.2(5)
O15 N8 O14 . . 121.7(5)
O16 N9 Dy1 . . 60.3(2)
O17 N9 Dy1 . . 56.9(2)
O17 N9 O16 . . 117.1(4)
O18 N9 Dy1 . . 175.9(4)
O18 N9 O16 . . 121.5(5)
O18 N9 O17 . . 121.4(4)
N1 C1 H1 . . 120.3
N1 C1 C2 . . 119.3(5)
C2 C1 H1 . . 120.3
C1 C2 H2 . . 120.1
C1 C2 C3 . . 119.8(5)
C3 C2 H2 . . 120.1
C2 C3 H3 . . 119.7
C4 C3 C2 . . 120.6(5)
C4 C3 H3 . . 119.7
C3 C4 C5 . . 118.3(5)
C3 C4 C6 . . 120.4(4)
C5 C4 C6 . . 121.1(5)
N1 C5 C4 . . 120.1(5)
N1 C5 H5 . . 120.0
C4 C5 H5 . . 120.0
N2 C6 C4 . . 114.4(4)
N2 C6 H6A . . 108.7
N2 C6 H6B . . 108.7
C4 C6 H6A . . 108.7
C4 C6 H6B . . 108.7
H6A C6 H6B . . 107.6
O2 C7 N2 . . 120.6(5)
O2 C7 C8 . . 122.7(5)
N2 C7 C8 . . 116.8(4)
C9 C8 C7 . . 120.3(5)
C9 C8 C19 . . 120.2(5)
C19 C8 C7 . . 119.5(5)
C8 C9 H9 . . 119.6
C8 C9 C10 . . 120.9(5)
C10 C9 H9 . . 119.6
C9 C10 H10 . . 120.0
C11 C10 C9 . . 120.0(5)
C11 C10 H10 . . 120.0
C10 C11 C12 . . 119.9(5)
C10 C11 C20 . . 120.3(5)
C20 C11 C12 . . 119.8(4)
O4 C12 N4 . . 120.5(5)
O4 C12 C11 . . 122.5(5)
N4 C12 C11 . . 116.9(5)
O5 C13 N4 . . 120.3(5)
O5 C13 C14 . . 122.4(5)
N4 C13 C14 . . 117.4(4)
C15 C14 C13 . . 120.1(4)
C15 C14 C20 . . 121.1(4)
C20 C14 C13 . . 118.8(5)
C14 C15 H15 . . 120.1
C14 C15 C16 . . 119.8(4)
C16 C15 H15 . . 120.1
C15 C16 H16 . . 119.7
C17 C16 C15 . . 120.5(5)
C17 C16 H16 . . 119.7
C16 C17 C18 . . 119.3(5)
C16 C17 C19 . . 120.5(4)
C19 C17 C18 . . 120.2(4)
O3 C18 N2 . . 119.7(5)
O3 C18 C17 . . 123.7(5)
N2 C18 C17 . . 116.6(5)
C17 C19 C8 . . 121.6(4)
C17 C19 C20 . . 119.6(4)
C20 C19 C8 . . 118.9(5)
C11 C20 C14 . . 121.8(4)
C11 C20 C19 . . 119.8(4)
C19 C20 C14 . . 118.4(5)
N3 C21 H21 . . 119.7
N3 C21 C22 . . 120.6(5)
C22 C21 H21 . . 119.7
C21 C22 H22 . . 120.5
C21 C22 C23 . . 119.0(5)
C23 C22 H22 . . 120.5
C22 C23 H23 . . 119.9
C24 C23 C22 . . 120.2(5)
C24 C23 H23 . . 119.9
C23 C24 C25 . . 119.0(5)
C23 C24 C26 . . 122.8(5)
C25 C24 C26 . . 118.1(5)
N3 C25 C24 . . 119.6(5)
N3 C25 H25 . . 120.2
C24 C25 H25 . . 120.2
N4 C26 C24 . . 112.9(4)
N4 C26 H26A . . 109.0
N4 C26 H26B . . 109.0
C24 C26 H26A . . 109.0
C24 C26 H26B . . 109.0
H26A C26 H26B . . 107.8
N5 C27 H27 . . 120.0
N5 C27 C28 . . 120.0(5)
C28 C27 H27 . . 120.0
C27 C28 H28 . . 119.8
C27 C28 C29 . . 120.3(6)
C29 C28 H28 . . 119.8
C28 C29 H29 . . 120.8
C30 C29 C28 . . 118.4(5)
C30 C29 H29 . . 120.8
C29 C30 C32 . . 122.1(5)
C31 C30 C29 . . 119.3(5)
C31 C30 C32 . . 118.6(5)
N5 C31 C30 . . 120.6(5)
N5 C31 H31 . . 119.7
C30 C31 H31 . . 119.7
N6 C32 C30 . . 112.3(4)
N6 C32 H32A . . 109.1
N6 C32 H32B . . 109.1
C30 C32 H32A . . 109.1
C30 C32 H32B . . 109.1
H32A C32 H32B . . 107.9
O8 C33 N6 . . 120.1(5)
O8 C33 C34 . . 122.1(5)
N6 C33 C34 . . 117.9(5)
C35 C34 C33 . . 118.6(5)
C38 C34 C33 . . 122.0(5)
C38 C34 C35 . . 119.4(5)
C34 C35 C36 . . 121.5(5)
C35 C35 C34 2_877 . 119.1(6)
C35 C35 C36 2_877 . 119.4(6)
C35 C36 C37 . . 119.5(5)
C39 C36 C35 . . 120.1(5)
C39 C36 C37 . . 120.4(5)
O9 C37 N6 . . 121.0(5)
O9 C37 C36 . . 122.1(5)
N6 C37 C36 . . 116.9(5)
C34 C38 H38 . . 118.8
C34 C38 C39 . 2_877 122.3(5)
C39 C38 H38 2_877 . 118.8
C36 C39 C38 . 2_877 119.7(5)
C36 C39 H39 . . 120.1
C38 C39 H39 2_877 . 120.1
C40 O19 H19 . . 109.5
O19 C40 H40A . . 109.5
O19 C40 H40B . . 109.5
O19 C40 H40C . . 109.5
H40A C40 H40B . . 109.5
H40A C40 H40C . . 109.5
H40B C40 H40C . . 109.5
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 O1 2_666 2.315(3) y
Dy1 O6 . 2.260(3) y
Dy1 O7 . 2.328(3) y
Dy1 O10 . 2.440(4) y
Dy1 O11 . 2.448(4) y
Dy1 O13 . 2.466(4) y
Dy1 O14 . 2.448(4) y
Dy1 O16 . 2.521(4) y
Dy1 O17 . 2.444(3) y
Dy1 N7 . 2.861(5) ?
Dy1 N8 . 2.878(5) ?
Dy1 N9 . 2.895(4) ?
O1 Dy1 2_666 2.315(3) ?
O1 N1 . 1.339(5) ?
O2 C7 . 1.202(6) ?
O3 C18 . 1.215(6) ?
O4 C12 . 1.225(6) ?
O5 C13 . 1.219(6) ?
O6 N3 . 1.346(5) ?
O7 N5 . 1.345(5) ?
O8 C33 . 1.219(6) ?
O9 C37 . 1.211(6) ?
O10 N7 . 1.287(6) ?
O11 N7 . 1.277(6) ?
O12 N7 . 1.223(6) ?
O13 N8 . 1.262(6) ?
O14 N8 . 1.274(6) ?
O15 N8 . 1.225(6) ?
O16 N9 . 1.274(5) ?
O17 N9 . 1.272(5) ?
O18 N9 . 1.234(5) ?
N1 C1 . 1.349(6) ?
N1 C5 . 1.363(6) ?
N2 C6 . 1.467(6) ?
N2 C7 . 1.406(7) ?
N2 C18 . 1.406(7) ?
N3 C21 . 1.340(7) ?
N3 C25 . 1.352(6) ?
N4 C12 . 1.397(7) ?
N4 C13 . 1.390(7) ?
N4 C26 . 1.471(6) ?
N5 C27 . 1.334(7) ?
N5 C31 . 1.351(7) ?
N6 C32 . 1.477(7) ?
N6 C33 . 1.396(7) ?
N6 C37 . 1.397(7) ?
C1 H1 . 0.9500 ?
C1 C2 . 1.370(7) ?
C2 H2 . 0.9500 ?
C2 C3 . 1.383(7) ?
C3 H3 . 0.9500 ?
C3 C4 . 1.380(7) ?
C4 C5 . 1.381(7) ?
C4 C6 . 1.519(7) ?
C5 H5 . 0.9500 ?
C6 H6A . 0.9900 ?
C6 H6B . 0.9900 ?
C7 C8 . 1.488(7) ?
C8 C9 . 1.371(7) ?
C8 C19 . 1.415(7) ?
C9 H9 . 0.9500 ?
C9 C10 . 1.399(8) ?
C10 H10 . 0.9500 ?
C10 C11 . 1.383(7) ?
C11 C12 . 1.483(7) ?
C11 C20 . 1.401(7) ?
C13 C14 . 1.488(7) ?
C14 C15 . 1.364(7) ?
C14 C20 . 1.419(7) ?
C15 H15 . 0.9500 ?
C15 C16 . 1.408(7) ?
C16 H16 . 0.9500 ?
C16 C17 . 1.369(7) ?
C17 C18 . 1.480(7) ?
C17 C19 . 1.403(7) ?
C19 C20 . 1.414(7) ?
C21 H21 . 0.9500 ?
C21 C22 . 1.365(8) ?
C22 H22 . 0.9500 ?
C22 C23 . 1.380(8) ?
C23 H23 . 0.9500 ?
C23 C24 . 1.379(7) ?
C24 C25 . 1.382(7) ?
C24 C26 . 1.519(7) ?
C25 H25 . 0.9500 ?
C26 H26A . 0.9900 ?
C26 H26B . 0.9900 ?
C27 H27 . 0.9500 ?
C27 C28 . 1.378(8) ?
C28 H28 . 0.9500 ?
C28 C29 . 1.391(8) ?
C29 H29 . 0.9500 ?
C29 C30 . 1.388(8) ?
C30 C31 . 1.379(7) ?
C30 C32 . 1.510(7) ?
C31 H31 . 0.9500 ?
C32 H32A . 0.9900 ?
C32 H32B . 0.9900 ?
C33 C34 . 1.477(8) ?
C34 C35 . 1.420(7) ?
C34 C38 . 1.366(7) ?
C35 C35 2_877 1.419(10) ?
C35 C36 . 1.421(7) ?
C36 C37 . 1.483(7) ?
C36 C39 . 1.379(7) ?
C38 H38 . 0.9500 ?
C38 C39 2_877 1.392(7) ?
C39 C38 2_877 1.392(7) ?
C39 H39 . 0.9500 ?
O19 H19 . 0.8400 ?
O19 C40 . 1.416(7) ?
C40 H40A . 0.9800 ?
C40 H40B . 0.9800 ?
C40 H40C . 0.9800 ?
