#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:02:51 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179500 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/97/4339742.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_4339742
loop_
_publ_author_name
'Muniappan, Sankar'
'Lipstman, Sophia'
'George, Sumod'
'Goldberg, Israel'
_publ_section_title
;
 Porphyrin framework solids. Synthesis and structure of hybrid
 coordination polymers of tetra(carboxyphenyl)porphyrins and
 lanthanide-bridging ions.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5544
_journal_page_last               5554
_journal_paper_doi               10.1021/ic0701099
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'C49 H25 Cu Dy N4 O10'
_chemical_formula_sum            'C49 H25 Cu Dy N4 O10'
_chemical_formula_weight         1055.77
_chemical_name_systematic
; 
 ? 
;
_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                92.6233(11)
_cell_angle_beta                 103.7107(11)
_cell_angle_gamma                95.6065(11)
_cell_formula_units_Z            2
_cell_length_a                   9.5168(2)
_cell_length_b                   15.0535(3)
_cell_length_c                   18.0806(4)
_cell_measurement_reflns_used    8499
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      25.68
_cell_measurement_theta_min      1.41
_cell_volume                     2498.03(9)
_computing_cell_refinement       Denzo
_computing_data_collection       'Collect, Nonius B.V.'
_computing_data_reduction        'Denzo & Scalepack'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      110(2)
_diffrn_detector_area_resol_mean 12.8
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '1 deg. φ & 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  0.0730
_diffrn_reflns_av_sigmaI/netI    0.0851
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            21764
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         2.24
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.967
_exptl_absorpt_correction_T_max  0.9081
_exptl_absorpt_correction_T_min  0.5068
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.404
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needles
_exptl_crystal_F_000             1044
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.572
_refine_diff_density_min         -2.266
_refine_diff_density_rms         0.165
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     586
_refine_ls_number_reflns         9364
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0711
_refine_ls_R_factor_gt           0.0517
_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)+(0.0783P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1283
_refine_ls_wR_factor_ref         0.1365
_reflns_number_gt                7300
_reflns_number_total             9364
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0701099-file001.cif
_cod_data_source_block           sg438sq-Compound-6
_cod_database_code               4339742
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Dy Dy -0.19744(3) -0.444988(19) -0.029732(16) 0.01190(10) Uani 1 1 d .
Cu Cu 0.72243(10) 0.02607(6) 0.44877(5) 0.0283(2) Uani 1 1 d .
C1 C 0.4851(7) -0.1267(4) 0.4112(4) 0.0182(14) Uani 1 1 d .
C2 C 0.4069(7) -0.1913(4) 0.4478(4) 0.0205(14) Uani 1 1 d .
H2 H 0.3215 -0.2299 0.4239 0.025 Uiso 1 1 calc R
C3 C 0.4785(7) -0.1866(5) 0.5225(4) 0.0222(15) Uani 1 1 d .
H3 H 0.4525 -0.2208 0.5611 0.027 Uiso 1 1 calc R
C4 C 0.6025(7) -0.1192(4) 0.5322(4) 0.0186(14) Uani 1 1 d .
C5 C 0.7113(7) -0.1045(4) 0.5986(3) 0.0183(13) Uani 1 1 d .
C6 C 0.8297(7) -0.0362(4) 0.6053(4) 0.0163(13) Uani 1 1 d .
C7 C 0.9543(7) -0.0230(4) 0.6689(4) 0.0207(14) Uani 1 1 d .
H7 H 0.9760 -0.0604 0.7101 0.025 Uiso 1 1 calc R
C8 C 1.0374(7) 0.0548(5) 0.6590(4) 0.0240(15) Uani 1 1 d .
H8 H 1.1263 0.0815 0.6918 0.029 Uiso 1 1 calc R
C9 C 0.9602(7) 0.0860(4) 0.5885(4) 0.0191(14) Uani 1 1 d .
C10 C 0.9994(7) 0.1684(4) 0.5627(4) 0.0207(14) Uani 1 1 d .
C11 C 0.9252(7) 0.1938(4) 0.4918(4) 0.0231(15) Uani 1 1 d .
C12 C 0.9521(9) 0.2806(5) 0.4649(5) 0.039(2) Uani 1 1 d .
H12 H 1.0128 0.3306 0.4933 0.047 Uiso 1 1 calc R
C13 C 0.8761(8) 0.2777(5) 0.3929(4) 0.036(2) Uani 1 1 d .
H13 H 0.8729 0.3253 0.3601 0.043 Uiso 1 1 calc R
C14 C 0.7998(7) 0.1898(4) 0.3738(4) 0.0239(15) Uani 1 1 d .
C15 C 0.7292(7) 0.1569(4) 0.3007(4) 0.0227(15) Uani 1 1 d .
C16 C 0.6521(7) 0.0721(4) 0.2848(4) 0.0183(14) Uani 1 1 d .
C17 C 0.5801(7) 0.0343(5) 0.2106(4) 0.0246(15) Uani 1 1 d .
H17 H 0.5860 0.0588 0.1638 0.030 Uiso 1 1 calc R
C18 C 0.5009(7) -0.0433(4) 0.2187(4) 0.0207(14) Uani 1 1 d .
H18 H 0.4408 -0.0833 0.1790 0.025 Uiso 1 1 calc R
C19 C 0.5271(7) -0.0526(4) 0.3002(3) 0.0182(14) Uani 1 1 d .
C20 C 0.4550(7) -0.1197(4) 0.3329(4) 0.0168(13) Uani 1 1 d .
N21 N 0.6008(5) -0.0799(3) 0.4640(3) 0.0150(11) Uani 1 1 d .
N22 N 0.8399(6) 0.0278(4) 0.5546(3) 0.0187(12) Uani 1 1 d .
N23 N 0.8263(6) 0.1402(3) 0.4370(3) 0.0166(11) Uani 1 1 d .
N24 N 0.6232(6) 0.0167(3) 0.3398(3) 0.0177(12) Uani 1 1 d .
C25 C 0.7118(7) -0.1605(4) 0.6634(4) 0.0184(14) Uani 1 1 d .
C26 C 0.7103(8) -0.2538(4) 0.6559(4) 0.0254(15) Uani 1 1 d .
H26 H 0.7129 -0.2815 0.6080 0.031 Uiso 1 1 calc R
C27 C 0.7052(7) -0.3063(4) 0.7153(4) 0.0229(15) Uani 1 1 d .
H27 H 0.7011 -0.3694 0.7074 0.028 Uiso 1 1 calc R
C28 C 0.7060(6) -0.2683(4) 0.7870(4) 0.0154(13) Uani 1 1 d .
C29 C 0.7085(7) -0.1762(5) 0.7969(4) 0.0231(15) Uani 1 1 d .
H29 H 0.7092 -0.1490 0.8455 0.028 Uiso 1 1 calc R
C30 C 0.7100(7) -0.1232(4) 0.7355(4) 0.0186(14) Uani 1 1 d .
H30 H 0.7098 -0.0604 0.7429 0.022 Uiso 1 1 calc R
C31 C 0.7099(6) -0.3257(4) 0.8533(4) 0.0181(14) Uani 1 1 d .
O32 O 0.7412(5) -0.2903(3) 0.9202(2) 0.0194(10) Uani 1 1 d .
O33 O 0.6865(5) -0.4105(3) 0.8410(2) 0.0191(10) Uani 1 1 d .
C34 C 1.1215(7) 0.2323(4) 0.6052(4) 0.0236(15) Uani 1 1 d .
C35 C 1.1246(8) 0.2754(5) 0.6756(4) 0.0348(18) Uani 1 1 d .
H35 H 1.0539 0.2554 0.7022 0.042 Uiso 1 1 calc R
C36 C 1.2278(8) 0.3465(5) 0.7078(4) 0.0322(17) Uani 1 1 d .
H36 H 1.2259 0.3761 0.7550 0.039 Uiso 1 1 calc R
C37 C 1.3354(7) 0.3744(4) 0.6696(4) 0.0256(15) Uani 1 1 d .
C38 C 1.3401(8) 0.3309(5) 0.6014(4) 0.0288(16) Uani 1 1 d .
H38 H 1.4140 0.3491 0.5762 0.035 Uiso 1 1 calc R
C39 C 1.2339(7) 0.2597(5) 0.5704(4) 0.0257(15) Uani 1 1 d .
H39 H 1.2380 0.2288 0.5241 0.031 Uiso 1 1 calc R
C40 C 1.4531(8) 0.4521(5) 0.7013(4) 0.0271(16) Uani 1 1 d .
O41 O 1.4510(5) 0.4823(3) 0.7696(3) 0.0322(12) Uani 1 1 d .
H41 H 1.5311 0.5189 0.7936 0.028 Uiso 1 1 d .
O42 O 1.5385(7) 0.4792(4) 0.6664(4) 0.0572(19) Uani 1 1 d .
C43 C 0.7486(7) 0.2129(4) 0.2376(4) 0.0205(14) Uani 1 1 d .
C44 C 0.6814(7) 0.2902(5) 0.2224(4) 0.0269(16) Uani 1 1 d .
H44 H 0.6064 0.3023 0.2468 0.032 Uiso 1 1 calc R
C45 C 0.7204(7) 0.3502(4) 0.1730(4) 0.0212(15) Uani 1 1 d .
H45 H 0.6738 0.4030 0.1636 0.025 Uiso 1 1 calc R
C46 C 0.8305(7) 0.3310(4) 0.1371(3) 0.0171(13) Uani 1 1 d .
C47 C 0.8923(7) 0.2516(5) 0.1469(4) 0.0276(16) Uani 1 1 d .
H47 H 0.9640 0.2378 0.1208 0.033 Uiso 1 1 calc R
C48 C 0.8476(8) 0.1920(5) 0.1960(4) 0.0309(17) Uani 1 1 d .
H48 H 0.8858 0.1360 0.2011 0.037 Uiso 1 1 calc R
C49 C 0.8886(6) 0.3982(4) 0.0889(3) 0.0169(14) Uani 1 1 d .
O50 O 0.8173(5) 0.4630(3) 0.0702(2) 0.0190(10) Uani 1 1 d .
O51 O 1.0040(4) 0.3822(3) 0.0720(2) 0.0167(9) Uani 1 1 d .
C52 C 0.3477(7) -0.1857(4) 0.2791(4) 0.0195(14) Uani 1 1 d .
C53 C 0.4021(9) -0.2547(6) 0.2439(5) 0.046(2) Uani 1 1 d .
H53 H 0.5032 -0.2609 0.2579 0.055 Uiso 1 1 calc R
C54 C 0.3094(9) -0.3142(6) 0.1885(5) 0.043(2) Uani 1 1 d .
H54 H 0.3467 -0.3622 0.1662 0.051 Uiso 1 1 calc R
C55 C 0.1609(7) -0.3037(4) 0.1653(4) 0.0180(13) Uani 1 1 d .
C56 C 0.1135(7) -0.2312(5) 0.1961(5) 0.0320(18) Uani 1 1 d .
H56 H 0.0150 -0.2202 0.1778 0.038 Uiso 1 1 calc R
C57 C 0.2038(7) -0.1733(5) 0.2528(4) 0.0298(17) Uani 1 1 d .
H57 H 0.1661 -0.1246 0.2739 0.036 Uiso 1 1 calc R
C58 C 0.0619(7) -0.3665(4) 0.1025(4) 0.0177(14) Uani 1 1 d .
O59 O 0.1115(5) -0.4344(3) 0.0807(2) 0.0194(10) Uani 1 1 d .
O60 O -0.0651(4) -0.3462(3) 0.0742(2) 0.0186(9) Uani 1 1 d .
O61 O -0.3867(4) -0.3995(3) 0.0234(2) 0.0150(9) Uani 1 1 d .
O62 O -0.5863(4) -0.4478(3) 0.0619(2) 0.0178(9) Uani 1 1 d .
C63 C -0.4917(6) -0.4561(4) 0.0248(3) 0.0144(13) Uani 1 1 d .
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'
Cu Cu 0.3201 1.2651 '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
O51 Dy O59 76.07(15) 2_655 2_545
O51 Dy O50 125.55(15) 2_655 1_445
O59 Dy O50 80.59(15) 2_545 1_445
O51 Dy O60 76.29(15) 2_655 .
O59 Dy O60 125.57(15) 2_545 .
O50 Dy O60 78.86(15) 1_445 .
O51 Dy O61 139.21(14) 2_655 .
O59 Dy O61 144.39(14) 2_545 .
O50 Dy O61 79.25(14) 1_445 .
O60 Dy O61 78.45(14) . .
O51 Dy O62 144.74(15) 2_655 2_445
O59 Dy O62 78.70(15) 2_545 2_445
O50 Dy O62 73.04(15) 1_445 2_445
O60 Dy O62 138.94(14) . 2_445
O61 Dy O62 67.47(14) . 2_445
O51 Dy O33 77.73(14) 2_655 1_454
O59 Dy O33 88.87(15) 2_545 1_454
O50 Dy O33 150.14(15) 1_445 1_454
O60 Dy O33 128.78(14) . 1_454
O61 Dy O33 94.26(15) . 1_454
O62 Dy O33 77.54(14) 2_445 1_454
O51 Dy O32 71.85(14) 2_655 1_454
O59 Dy O32 132.94(14) 2_545 1_454
O50 Dy O32 146.44(15) 1_445 1_454
O60 Dy O32 78.59(14) . 1_454
O61 Dy O32 72.12(13) . 1_454
O62 Dy O32 110.19(14) 2_445 1_454
O33 Dy O32 51.49(14) 1_454 1_454
O51 Dy C31 68.96(16) 2_655 1_454
O59 Dy C31 109.57(17) 2_545 1_454
O50 Dy C31 164.81(16) 1_445 1_454
O60 Dy C31 102.70(17) . 1_454
O61 Dy C31 86.23(16) . 1_454
O62 Dy C31 97.36(16) 2_445 1_454
O33 Dy C31 26.20(17) 1_454 1_454
O32 Dy C31 25.91(17) 1_454 1_454
N21 Cu N23 173.0(2) . .
N21 Cu N24 90.1(2) . .
N23 Cu N24 90.3(2) . .
N21 Cu N22 90.6(2) . .
N23 Cu N22 89.8(2) . .
N24 Cu N22 173.2(2) . .
C20 C1 N21 125.4(5) . .
C20 C1 C2 123.8(6) . .
N21 C1 C2 110.5(5) . .
C3 C2 C1 107.1(6) . .
C3 C2 H2 126.4 . .
C1 C2 H2 126.4 . .
C2 C3 C4 106.7(5) . .
C2 C3 H3 126.6 . .
C4 C3 H3 126.6 . .
C5 C4 N21 126.4(5) . .
C5 C4 C3 123.0(5) . .
N21 C4 C3 110.2(6) . .
C4 C5 C6 120.6(5) . .
C4 C5 C25 121.3(6) . .
C6 C5 C25 118.0(6) . .
N22 C6 C5 126.0(6) . .
N22 C6 C7 110.1(5) . .
C5 C6 C7 123.9(5) . .
C8 C7 C6 107.1(6) . .
C8 C7 H7 126.4 . .
C6 C7 H7 126.4 . .
C7 C8 C9 105.2(6) . .
C7 C8 H8 127.4 . .
C9 C8 H8 127.4 . .
N22 C9 C10 125.7(6) . .
N22 C9 C8 111.1(5) . .
C10 C9 C8 123.0(6) . .
C9 C10 C11 120.8(6) . .
C9 C10 C34 123.6(6) . .
C11 C10 C34 115.6(6) . .
N23 C11 C10 126.1(6) . .
N23 C11 C12 110.4(6) . .
C10 C11 C12 123.4(6) . .
C13 C12 C11 106.9(7) . .
C13 C12 H12 126.5 . .
C11 C12 H12 126.5 . .
C12 C13 C14 107.6(6) . .
C12 C13 H13 126.2 . .
C14 C13 H13 126.2 . .
N23 C14 C15 125.5(6) . .
N23 C14 C13 109.6(6) . .
C15 C14 C13 124.2(6) . .
C14 C15 C16 122.4(6) . .
C14 C15 C43 117.1(6) . .
C16 C15 C43 120.3(6) . .
C15 C16 N24 124.4(6) . .
C15 C16 C17 124.7(6) . .
N24 C16 C17 110.6(5) . .
C18 C17 C16 107.5(5) . .
C18 C17 H17 126.2 . .
C16 C17 H17 126.2 . .
C17 C18 C19 106.0(6) . .
C17 C18 H18 127.0 . .
C19 C18 H18 127.0 . .
N24 C19 C20 125.3(6) . .
N24 C19 C18 110.5(5) . .
C20 C19 C18 124.0(6) . .
C1 C20 C19 122.0(6) . .
C1 C20 C52 121.5(5) . .
C19 C20 C52 116.5(5) . .
C4 N21 C1 105.2(5) . .
C4 N21 Cu 127.2(4) . .
C1 N21 Cu 127.4(4) . .
C9 N22 C6 106.1(5) . .
C9 N22 Cu 126.8(4) . .
C6 N22 Cu 126.6(4) . .
C11 N23 C14 105.2(5) . .
C11 N23 Cu 127.7(4) . .
C14 N23 Cu 126.6(4) . .
C19 N24 C16 105.2(5) . .
C19 N24 Cu 127.2(4) . .
C16 N24 Cu 127.0(4) . .
C30 C25 C26 116.4(6) . .
C30 C25 C5 121.5(6) . .
C26 C25 C5 122.0(6) . .
C27 C26 C25 122.2(6) . .
C27 C26 H26 118.9 . .
C25 C26 H26 118.9 . .
C26 C27 C28 120.8(6) . .
C26 C27 H27 119.6 . .
C28 C27 H27 119.6 . .
C29 C28 C27 118.7(6) . .
C29 C28 C31 120.6(6) . .
C27 C28 C31 120.6(6) . .
C28 C29 C30 120.1(6) . .
C28 C29 H29 119.9 . .
C30 C29 H29 119.9 . .
C25 C30 C29 121.7(6) . .
C25 C30 H30 119.2 . .
C29 C30 H30 119.2 . .
O32 C31 O33 120.5(5) . .
O32 C31 C28 120.1(6) . .
O33 C31 C28 119.3(6) . .
O32 C31 Dy 65.1(3) . 1_656
O33 C31 Dy 57.6(3) . 1_656
C28 C31 Dy 162.1(4) . 1_656
C31 O32 Dy 89.0(4) . 1_656
C31 O33 Dy 96.2(4) . 1_656
C35 C34 C39 117.2(6) . .
C35 C34 C10 123.3(6) . .
C39 C34 C10 119.1(6) . .
C36 C35 C34 121.9(7) . .
C36 C35 H35 119.1 . .
C34 C35 H35 119.1 . .
C35 C36 C37 119.1(7) . .
C35 C36 H36 120.4 . .
C37 C36 H36 120.4 . .
C38 C37 C36 120.8(6) . .
C38 C37 C40 116.8(6) . .
C36 C37 C40 122.4(7) . .
C37 C38 C39 118.5(7) . .
C37 C38 H38 120.7 . .
C39 C38 H38 120.7 . .
C38 C39 C34 122.3(7) . .
C38 C39 H39 118.8 . .
C34 C39 H39 118.8 . .
O42 C40 O41 125.2(7) . .
O42 C40 C37 122.0(7) . .
O41 C40 C37 112.7(6) . .
C40 O41 H41 114.0 . .
C48 C43 C44 118.1(6) . .
C48 C43 C15 118.9(6) . .
C44 C43 C15 122.8(6) . .
C45 C44 C43 122.0(6) . .
C45 C44 H44 119.0 . .
C43 C44 H44 119.0 . .
C44 C45 C46 118.2(6) . .
C44 C45 H45 120.9 . .
C46 C45 H45 120.9 . .
C47 C46 C45 121.0(5) . .
C47 C46 C49 118.3(6) . .
C45 C46 C49 120.7(6) . .
C46 C47 C48 118.8(6) . .
C46 C47 H47 120.6 . .
C48 C47 H47 120.6 . .
C43 C48 C47 121.4(6) . .
C43 C48 H48 119.3 . .
C47 C48 H48 119.3 . .
O51 C49 O50 127.2(5) . .
O51 C49 C46 115.2(6) . .
O50 C49 C46 117.6(5) . .
C49 O50 Dy 132.5(4) . 1_665
C49 O51 Dy 143.6(4) . 2_655
C57 C52 C53 118.4(7) . .
C57 C52 C20 123.2(6) . .
C53 C52 C20 117.4(6) . .
C54 C53 C52 120.4(7) . .
C54 C53 H53 119.8 . .
C52 C53 H53 119.8 . .
C53 C54 C55 120.3(8) . .
C53 C54 H54 119.9 . .
C55 C54 H54 119.9 . .
C56 C55 C54 117.8(7) . .
C56 C55 C58 122.0(6) . .
C54 C55 C58 119.9(6) . .
C55 C56 C57 122.2(7) . .
C55 C56 H56 118.9 . .
C57 C56 H56 118.9 . .
C52 C57 C56 120.5(7) . .
C52 C57 H57 119.7 . .
C56 C57 H57 119.7 . .
O59 C58 O60 124.1(6) . .
O59 C58 C55 117.9(6) . .
O60 C58 C55 118.0(6) . .
C58 O59 Dy 174.9(4) . 2_545
C58 O60 Dy 113.4(4) . .
C63 O61 Dy 118.8(4) . .
C63 O62 Dy 117.4(4) . 2_445
O61 C63 O62 126.6(6) . .
O61 C63 C63 117.0(6) . 2_445
O62 C63 C63 116.4(6) . 2_445
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy O51 2.293(4) 2_655
Dy O59 2.304(4) 2_545
Dy O50 2.314(4) 1_445
Dy O60 2.363(4) .
Dy O61 2.375(4) .
Dy O62 2.424(4) 2_445
Dy O33 2.440(4) 1_454
Dy O32 2.606(4) 1_454
Dy C31 2.872(6) 1_454
Cu N21 1.947(5) .
Cu N23 1.943(5) .
Cu N24 1.965(5) .
Cu N22 1.972(5) .
C1 C20 1.387(9) .
C1 N21 1.382(8) .
C1 C2 1.445(8) .
C2 C3 1.357(9) .
C2 H2 0.9500 .
C3 C4 1.451(9) .
C3 H3 0.9500 .
C4 C5 1.380(9) .
C4 N21 1.389(7) .
C5 C6 1.429(9) .
C5 C25 1.474(8) .
C6 N22 1.372(8) .
C6 C7 1.433(9) .
C7 C8 1.391(9) .
C7 H7 0.9500 .
C8 C9 1.437(9) .
C8 H8 0.9500 .
C9 N22 1.370(8) .
C9 C10 1.393(9) .
C10 C11 1.400(9) .
C10 C34 1.468(9) .
C11 N23 1.361(8) .
C11 C12 1.435(9) .
C12 C13 1.327(11) .
C12 H12 0.9500 .
C13 C14 1.431(9) .
C13 H13 0.9500 .
C14 N23 1.380(8) .
C14 C15 1.378(10) .
C15 C16 1.390(9) .
C15 C43 1.485(9) .
C16 N24 1.386(7) .
C16 C17 1.418(10) .
C17 C18 1.360(9) .
C17 H17 0.9500 .
C18 C19 1.451(8) .
C18 H18 0.9500 .
C19 N24 1.368(8) .
C19 C20 1.397(8) .
C20 C52 1.489(9) .
C25 C30 1.400(9) .
C25 C26 1.404(9) .
C26 C27 1.369(9) .
C26 H26 0.9500 .
C27 C28 1.391(9) .
C27 H27 0.9500 .
C28 C29 1.387(9) .
C28 C31 1.505(8) .
C29 C30 1.398(8) .
C29 H29 0.9500 .
C30 H30 0.9500 .
C31 O32 1.255(8) .
C31 O33 1.275(8) .
C31 Dy 2.872(6) 1_656
O32 Dy 2.606(4) 1_656
O33 Dy 2.440(4) 1_656
C34 C35 1.395(10) .
C34 C39 1.402(9) .
C35 C36 1.384(10) .
C35 H35 0.9500 .
C36 C37 1.407(10) .
C36 H36 0.9500 .
C37 C38 1.382(10) .
C37 C40 1.526(9) .
C38 C39 1.396(9) .
C38 H38 0.9500 .
C39 H39 0.9500 .
C40 O42 1.195(9) .
C40 O41 1.301(9) .
O41 H41 0.9012 .
C43 C48 1.386(10) .
C43 C44 1.389(10) .
C44 C45 1.386(9) .
C44 H44 0.9500 .
C45 C46 1.403(9) .
C45 H45 0.9500 .
C46 C47 1.384(9) .
C46 C49 1.513(8) .
C47 C48 1.396(9) .
C47 H47 0.9500 .
C48 H48 0.9500 .
C49 O51 1.250(7) .
C49 O50 1.255(8) .
O50 Dy 2.314(4) 1_665
O51 Dy 2.293(4) 2_655
C52 C57 1.373(9) .
C52 C53 1.399(11) .
C53 C54 1.389(12) .
C53 H53 0.9500 .
C54 C55 1.402(10) .
C54 H54 0.9500 .
C55 C56 1.366(10) .
C55 C58 1.513(9) .
C56 C57 1.380(10) .
C56 H56 0.9500 .
C57 H57 0.9500 .
C58 O59 1.252(8) .
C58 O60 1.269(8) .
O59 Dy 2.304(4) 2_545
O61 C63 1.254(7) .
O62 C63 1.256(7) .
O62 Dy 2.424(4) 2_445
C63 C63 1.537(13) 2_445
