#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:43:56 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180051 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/45/7034524.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_7034524
loop_
_publ_author_name
'Wu, Wen-Ya'
'Zhang, Rui-Feng'
'Zhang, Xue-Jing'
'Cheng, Peng'
_publ_section_title
;
 Two novel 3d-4f heterometallic coordination polymers with infinite
 [Ln4(OH)4]n(8n+) chains involving in situ decarboxylation.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7144
_journal_page_last               7147
_journal_paper_doi               10.1039/c5dt00586h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C82 H58 Co Dy4 N8 O28'
_chemical_formula_sum            'C82 H58 Co Dy4 N8 O28'
_chemical_formula_weight         2312.29
_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
_audit_update_record
;
2014-10-03 deposited with the CCDC.
2015-03-23 downloaded from the CCDC.
;
_cell_angle_alpha                109.16(3)
_cell_angle_beta                 93.43(3)
_cell_angle_gamma                92.75(3)
_cell_formula_units_Z            1
_cell_length_a                   7.6805(15)
_cell_length_b                   13.635(3)
_cell_length_c                   19.036(4)
_cell_measurement_reflns_used    16736
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      3.00
_cell_volume                     1874.9(8)
_computing_cell_refinement       'RAPID-AUTO (Rigaku 1998 RAPID-AUTO)'
_computing_data_collection       'RAPID-AUTO (Rigaku 1998 RAPID-AUTO)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       'ω scan'
_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  0.0313
_diffrn_reflns_av_sigmaI/netI    0.0414
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            18364
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.00
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.248
_exptl_absorpt_correction_T_max  0.5552
_exptl_absorpt_correction_T_min  0.2329
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.048
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1121
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.404
_refine_diff_density_min         -1.103
_refine_diff_density_rms         0.160
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     556
_refine_ls_number_reflns         8474
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.0358
_refine_ls_R_factor_gt           0.0299
_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)+(0.0237P)²+6.9306P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0715
_refine_ls_wR_factor_ref         0.0770
_reflns_number_gt                7444
_reflns_number_total             8474
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt00586h2.cif
_cod_data_source_block           h-40
_cod_depositor_comments
'Adding full bibliography for 7034523--7034524.cif.'
_cod_original_cell_volume        1875.0(6)
_cod_database_code               7034524
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
C1 C 0.6552(6) 0.1148(4) 0.2299(2) 0.0214(9) Uani 1 1 d .
C2 C 0.7784(7) 0.1766(4) 0.2954(2) 0.0231(10) Uani 1 1 d .
C3 C 0.9491(7) 0.1551(4) 0.3037(3) 0.0248(10) Uani 1 1 d .
H3 H 0.9935 0.0988 0.2688 0.030 Uiso 1 1 calc R
C4 C 1.0571(7) 0.2201(4) 0.3660(3) 0.0276(11) Uani 1 1 d .
C5 C 1.2350(8) 0.2044(5) 0.3791(3) 0.0405(14) Uani 1 1 d .
H5 H 1.2866 0.1499 0.3455 0.049 Uiso 1 1 calc R
C6 C 1.3314(9) 0.2687(6) 0.4410(4) 0.0513(17) Uani 1 1 d .
H6 H 1.4484 0.2578 0.4492 0.062 Uiso 1 1 calc R
C7 C 1.2560(10) 0.3515(6) 0.4925(4) 0.0519(17) Uani 1 1 d .
H7 H 1.3235 0.3941 0.5347 0.062 Uiso 1 1 calc R
C8 C 1.0868(9) 0.3700(5) 0.4818(3) 0.0438(15) Uani 1 1 d .
H8 H 1.0386 0.4253 0.5161 0.053 Uiso 1 1 calc R
C9 C 0.9831(7) 0.3046(4) 0.4177(3) 0.0304(11) Uani 1 1 d .
C10 C 0.7173(7) 0.2642(4) 0.3497(3) 0.0308(11) Uani 1 1 d .
H10 H 0.6016 0.2787 0.3430 0.037 Uiso 1 1 calc R
C11 C 0.2394(6) -0.0747(4) 0.1853(3) 0.0222(9) Uani 1 1 d .
C12 C 0.2697(7) -0.0888(4) 0.2599(3) 0.0254(10) Uani 1 1 d .
C13 C 0.1307(8) -0.0980(4) 0.2994(3) 0.0316(12) Uani 1 1 d .
H13 H 0.0166 -0.0988 0.2798 0.038 Uiso 1 1 calc R
C14 C 0.1657(9) -0.1063(4) 0.3715(3) 0.0380(14) Uani 1 1 d .
C15 C 0.0265(11) -0.1173(5) 0.4155(4) 0.0553(18) Uani 1 1 d U
H15 H -0.0897 -0.1192 0.3980 0.066 Uiso 1 1 calc R
C16 C 0.0695(13) -0.1252(6) 0.4850(4) 0.063(2) Uani 1 1 d U
H16 H -0.0191 -0.1336 0.5142 0.076 Uiso 1 1 calc R
C17 C 0.2382(13) -0.1207(6) 0.5110(4) 0.065(2) Uani 1 1 d U
H17 H 0.2620 -0.1238 0.5587 0.078 Uiso 1 1 calc R
C18 C 0.3748(12) -0.1119(6) 0.4707(4) 0.0606(19) Uani 1 1 d U
H18 H 0.4891 -0.1110 0.4902 0.073 Uiso 1 1 calc R
C19 C 0.3413(10) -0.1039(5) 0.3982(3) 0.0456(15) Uani 1 1 d U
C20 C 0.4416(9) -0.0887(5) 0.2907(3) 0.0405(14) Uani 1 1 d .
H20 H 0.5342 -0.0831 0.2627 0.049 Uiso 1 1 calc R
C21 C 0.5957(6) 0.2697(4) 0.0773(3) 0.0249(10) Uani 1 1 d .
C22 C 0.5299(6) 0.3652(4) 0.1309(3) 0.0249(10) Uani 1 1 d .
C23 C 0.5011(7) 0.3709(4) 0.2025(3) 0.0260(10) Uani 1 1 d .
H23 H 0.5295 0.3165 0.2194 0.031 Uiso 1 1 calc R
C24 C 0.4287(7) 0.4586(4) 0.2505(3) 0.0275(11) Uani 1 1 d .
C25 C 0.3950(9) 0.4681(5) 0.3248(3) 0.0400(14) Uani 1 1 d .
H25 H 0.4225 0.4154 0.3437 0.048 Uiso 1 1 calc R
C26 C 0.3219(9) 0.5547(5) 0.3690(4) 0.0454(15) Uani 1 1 d .
H26 H 0.2997 0.5607 0.4176 0.054 Uiso 1 1 calc R
C27 C 0.2806(8) 0.6344(4) 0.3404(4) 0.0431(15) Uani 1 1 d .
H27 H 0.2307 0.6926 0.3707 0.052 Uiso 1 1 calc R
C28 C 0.3119(8) 0.6283(4) 0.2694(4) 0.0424(14) Uani 1 1 d .
H28 H 0.2847 0.6823 0.2518 0.051 Uiso 1 1 calc R
C29 C 0.3864(7) 0.5391(4) 0.2222(3) 0.0313(11) Uani 1 1 d .
C30 C 0.4830(7) 0.4495(4) 0.1083(3) 0.0312(11) Uani 1 1 d .
H30 H 0.5031 0.4461 0.0598 0.037 Uiso 1 1 calc R
C31 C 0.0877(6) 0.2055(3) 0.1342(2) 0.0167(8) Uani 1 1 d .
C32 C 0.0311(6) 0.3143(3) 0.1483(2) 0.0166(8) Uani 1 1 d .
C33 C -0.0215(6) 0.3705(3) 0.2166(2) 0.0185(9) Uani 1 1 d .
H33 H -0.0239 0.3409 0.2542 0.022 Uiso 1 1 calc R
C34 C -0.0718(6) 0.4725(3) 0.2302(3) 0.0197(9) Uani 1 1 d .
C35 C -0.1326(7) 0.5326(4) 0.2992(3) 0.0273(11) Uani 1 1 d .
H35 H -0.1366 0.5056 0.3380 0.033 Uiso 1 1 calc R
C36 C -0.1852(7) 0.6300(4) 0.3085(3) 0.0310(11) Uani 1 1 d .
H36 H -0.2260 0.6686 0.3537 0.037 Uiso 1 1 calc R
C37 C -0.1784(8) 0.6724(4) 0.2508(3) 0.0327(12) Uani 1 1 d .
H37 H -0.2143 0.7390 0.2582 0.039 Uiso 1 1 calc R
C38 C -0.1194(7) 0.6169(4) 0.1835(3) 0.0280(11) Uani 1 1 d .
H38 H -0.1135 0.6463 0.1459 0.034 Uiso 1 1 calc R
C39 C -0.0675(6) 0.5148(3) 0.1715(2) 0.0178(9) Uani 1 1 d .
C40 C 0.0308(5) 0.3619(3) 0.0925(2) 0.0161(8) Uani 1 1 d .
C41 C 0.0799(6) 0.3039(3) 0.0149(3) 0.0199(9) Uani 1 1 d .
Co1 Co 0.0000 0.5000 0.0000 0.01910(18) Uani 1 2 d S
Dy1 Dy 0.88688(2) -0.037533(14) 0.078503(10) 0.01294(6) Uani 1 1 d .
Dy2 Dy 0.42071(2) 0.055967(15) 0.095825(11) 0.01472(6) Uani 1 1 d .
N1 N 0.8122(7) 0.3262(4) 0.4084(3) 0.0394(12) Uani 1 1 d .
N2 N 0.4774(8) -0.0963(5) 0.3571(3) 0.0533(16) Uani 1 1 d .
N3 N 0.4131(6) 0.5325(3) 0.1501(3) 0.0324(10) Uani 1 1 d .
N4 N -0.0133(5) 0.4586(3) 0.1032(2) 0.0174(7) Uani 1 1 d .
O1 O 0.4979(4) 0.1381(3) 0.22982(18) 0.0250(7) Uani 1 1 d .
O2 O 0.7062(4) 0.0439(2) 0.17570(18) 0.0231(7) Uani 1 1 d .
O3 O 0.3683(5) -0.0782(3) 0.1471(2) 0.0272(7) Uani 1 1 d .
O4 O 0.0893(5) -0.0553(3) 0.1684(2) 0.0324(8) Uani 1 1 d .
O5 O 0.6135(4) 0.1928(3) 0.10021(19) 0.0244(7) Uani 1 1 d .
O6 O 0.6238(7) 0.2668(3) 0.0134(2) 0.0455(11) Uani 1 1 d .
O7 O 0.2464(4) 0.1930(3) 0.1295(2) 0.0304(8) Uani 1 1 d .
O8 O -0.0272(4) 0.1362(2) 0.13149(18) 0.0213(7) Uani 1 1 d .
O9 O 0.0748(5) 0.2066(2) -0.00368(19) 0.0253(7) Uani 1 1 d .
O10 O 0.1202(5) 0.3562(3) -0.02557(19) 0.0269(8) Uani 1 1 d .
O11 O 0.5959(4) -0.0697(2) 0.02599(17) 0.0163(6) Uani 1 1 d .
H111 H 0.5438 -0.1278 0.0223 0.024 Uiso 1 1 d R
O12 O 0.7286(5) -0.1672(3) 0.1306(2) 0.0308(8) Uani 1 1 d .
H121 H 0.7381 -0.2301 0.1040 0.046 Uiso 1 1 d R
H122 H 0.7773 -0.1551 0.1742 0.046 Uiso 1 1 d R
O13 O 0.1601(4) -0.0288(2) 0.02415(16) 0.0147(6) Uani 1 1 d .
H131 H 0.1862 -0.0917 0.0070 0.022 Uiso 1 1 d R
O14 O 0.2307(5) 0.5883(3) 0.0425(2) 0.0362(9) Uani 1 1 d .
H141 H 0.2902 0.5855 0.0808 0.054 Uiso 1 1 d R
H142 H 0.2787 0.6333 0.0263 0.054 Uiso 1 1 d R
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'
Co Co 0.3494 0.9721 '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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O2 C1 O1 120.6(4) . .
O2 C1 C2 121.7(4) . .
O1 C1 C2 117.7(4) . .
O2 C1 Dy2 65.6(3) . .
O1 C1 Dy2 57.1(2) . .
C2 C1 Dy2 162.5(3) . .
C3 C2 C10 118.4(5) . .
C3 C2 C1 123.0(4) . .
C10 C2 C1 118.5(5) . .
C2 C3 C4 119.0(5) . .
C2 C3 H3 120.5 . .
C4 C3 H3 120.5 . .
C5 C4 C3 123.1(5) . .
C5 C4 C9 118.6(5) . .
C3 C4 C9 118.3(5) . .
C6 C5 C4 120.2(6) . .
C6 C5 H5 119.9 . .
C4 C5 H5 119.9 . .
C5 C6 C7 120.8(6) . .
C5 C6 H6 119.6 . .
C7 C6 H6 119.6 . .
C8 C7 C6 121.0(6) . .
C8 C7 H7 119.5 . .
C6 C7 H7 119.5 . .
C7 C8 C9 119.6(6) . .
C7 C8 H8 120.2 . .
C9 C8 H8 120.2 . .
N1 C9 C4 122.2(5) . .
N1 C9 C8 118.0(5) . .
C4 C9 C8 119.8(5) . .
N1 C10 C2 124.8(5) . .
N1 C10 H10 117.6 . .
C2 C10 H10 117.6 . .
O4 C11 O3 125.5(4) . .
O4 C11 C12 116.5(4) . .
O3 C11 C12 117.9(4) . .
C13 C12 C20 119.8(5) . .
C13 C12 C11 119.9(5) . .
C20 C12 C11 120.3(5) . .
C12 C13 C14 118.1(6) . .
C12 C13 H13 121.0 . .
C14 C13 H13 121.0 . .
C19 C14 C13 118.2(6) . .
C19 C14 C15 120.7(6) . .
C13 C14 C15 121.1(7) . .
C16 C15 C14 118.1(8) . .
C16 C15 H15 120.9 . .
C14 C15 H15 120.9 . .
C17 C16 C15 121.0(8) . .
C17 C16 H16 119.5 . .
C15 C16 H16 119.5 . .
C16 C17 C18 123.0(8) . .
C16 C17 H17 118.5 . .
C18 C17 H17 118.5 . .
C17 C18 C19 119.4(8) . .
C17 C18 H18 120.3 . .
C19 C18 H18 120.3 . .
N2 C19 C14 122.4(5) . .
N2 C19 C18 119.8(7) . .
C14 C19 C18 117.8(7) . .
N2 C20 C12 123.4(6) . .
N2 C20 H20 118.3 . .
C12 C20 H20 118.3 . .
O6 C21 O5 123.0(5) . .
O6 C21 C22 120.3(5) . .
O5 C21 C22 116.6(4) . .
C23 C22 C30 117.3(5) . .
C23 C22 C21 121.2(5) . .
C30 C22 C21 121.3(5) . .
C22 C23 C24 120.3(5) . .
C22 C23 H23 119.8 . .
C24 C23 H23 119.8 . .
C23 C24 C29 117.9(5) . .
C23 C24 C25 122.6(5) . .
C29 C24 C25 119.5(5) . .
C26 C25 C24 120.3(6) . .
C26 C25 H25 119.9 . .
C24 C25 H25 119.9 . .
C25 C26 C27 119.8(6) . .
C25 C26 H26 120.1 . .
C27 C26 H26 120.1 . .
C28 C27 C26 121.6(6) . .
C28 C27 H27 119.2 . .
C26 C27 H27 119.2 . .
C27 C28 C29 119.8(6) . .
C27 C28 H28 120.1 . .
C29 C28 H28 120.1 . .
N3 C29 C24 121.6(5) . .
N3 C29 C28 119.3(5) . .
C24 C29 C28 119.1(5) . .
N3 C30 C22 125.1(5) . .
N3 C30 H30 117.4 . .
C22 C30 H30 117.4 . .
O7 C31 O8 125.1(4) . .
O7 C31 C32 117.4(4) . .
O8 C31 C32 117.4(4) . .
C33 C32 C40 117.9(4) . .
C33 C32 C31 120.4(4) . .
C40 C32 C31 121.8(4) . .
C32 C33 C34 120.4(4) . .
C32 C33 H33 119.8 . .
C34 C33 H33 119.8 . .
C33 C34 C39 118.3(4) . .
C33 C34 C35 122.6(4) . .
C39 C34 C35 119.1(4) . .
C36 C35 C34 120.2(5) . .
C36 C35 H35 119.9 . .
C34 C35 H35 119.9 . .
C35 C36 C37 120.7(5) . .
C35 C36 H36 119.7 . .
C37 C36 H36 119.7 . .
C38 C37 C36 120.9(5) . .
C38 C37 H37 119.6 . .
C36 C37 H37 119.6 . .
C37 C38 C39 119.8(5) . .
C37 C38 H38 120.1 . .
C39 C38 H38 120.1 . .
N4 C39 C38 119.5(4) . .
N4 C39 C34 121.2(4) . .
C38 C39 C34 119.3(4) . .
N4 C40 C32 123.8(4) . .
N4 C40 C41 115.0(4) . .
C32 C40 C41 121.2(4) . .
O10 C41 O9 125.5(4) . .
O10 C41 C40 117.8(4) . .
O9 C41 C40 116.7(4) . .
O14 Co1 O14 180.0(2) 2_565 .
O14 Co1 O10 93.74(15) 2_565 2_565
O14 Co1 O10 86.26(15) . 2_565
O14 Co1 O10 86.26(15) 2_565 .
O14 Co1 O10 93.74(15) . .
O10 Co1 O10 180.000(1) 2_565 .
O14 Co1 N4 90.60(15) 2_565 2_565
O14 Co1 N4 89.40(15) . 2_565
O10 Co1 N4 76.12(13) 2_565 2_565
O10 Co1 N4 103.88(13) . 2_565
O14 Co1 N4 89.40(15) 2_565 .
O14 Co1 N4 90.60(15) . .
O10 Co1 N4 103.88(13) 2_565 .
O10 Co1 N4 76.12(13) . .
N4 Co1 N4 180.00(16) 2_565 .
O8 Dy1 O9 153.19(12) 1_655 2_655
O8 Dy1 O4 83.56(14) 1_655 1_655
O9 Dy1 O4 89.61(14) 2_655 1_655
O8 Dy1 O11 113.55(12) 1_655 .
O9 Dy1 O11 85.78(12) 2_655 .
O4 Dy1 O11 146.98(12) 1_655 .
O8 Dy1 O2 69.60(11) 1_655 .
O9 Dy1 O2 136.31(11) 2_655 .
O4 Dy1 O2 88.58(12) 1_655 .
O11 Dy1 O2 72.91(11) . .
O8 Dy1 O13 78.96(11) 1_655 1_655
O9 Dy1 O13 74.26(11) 2_655 1_655
O4 Dy1 O13 77.53(11) 1_655 1_655
O11 Dy1 O13 131.72(10) . 1_655
O2 Dy1 O13 146.87(11) . 1_655
O8 Dy1 O13 76.85(11) 1_655 2_655
O9 Dy1 O13 95.23(11) 2_655 2_655
O4 Dy1 O13 145.53(12) 1_655 2_655
O11 Dy1 O13 67.49(10) . 2_655
O2 Dy1 O13 110.16(11) . 2_655
O13 Dy1 O13 71.11(11) 1_655 2_655
O8 Dy1 O12 131.73(11) 1_655 .
O9 Dy1 O12 70.54(12) 2_655 .
O4 Dy1 O12 75.93(13) 1_655 .
O11 Dy1 O12 71.71(11) . .
O2 Dy1 O12 66.72(11) . .
O13 Dy1 O12 135.51(11) 1_655 .
O13 Dy1 O12 137.63(11) 2_655 .
O8 Dy1 Dy2 84.27(9) 1_655 .
O9 Dy1 Dy2 119.03(10) 2_655 .
O4 Dy1 Dy2 130.37(9) 1_655 .
O11 Dy1 Dy2 34.56(7) . .
O2 Dy1 Dy2 42.31(9) . .
O13 Dy1 Dy2 145.50(7) 1_655 .
O13 Dy1 Dy2 75.84(7) 2_655 .
O12 Dy1 Dy2 77.19(9) . .
O8 Dy1 Dy2 104.86(9) 1_655 2_655
O9 Dy1 Dy2 79.91(10) 2_655 2_655
O4 Dy1 Dy2 169.29(9) 1_655 2_655
O11 Dy1 Dy2 35.09(7) . 2_655
O2 Dy1 Dy2 100.47(9) . 2_655
O13 Dy1 Dy2 97.36(7) 1_655 2_655
O13 Dy1 Dy2 35.37(7) 2_655 2_655
O12 Dy1 Dy2 102.28(9) . 2_655
Dy2 Dy1 Dy2 58.20(2) . 2_655
O8 Dy1 Dy1 75.07(8) 1_655 2_755
O9 Dy1 Dy1 83.68(9) 2_655 2_755
O4 Dy1 Dy1 112.08(9) 1_655 2_755
O11 Dy1 Dy1 99.89(7) . 2_755
O2 Dy1 Dy1 136.51(8) . 2_755
O13 Dy1 Dy1 35.68(7) 1_655 2_755
O13 Dy1 Dy1 35.43(7) 2_655 2_755
O12 Dy1 Dy1 153.19(8) . 2_755
Dy2 Dy1 Dy1 110.75(2) . 2_755
Dy2 Dy1 Dy1 64.901(17) 2_655 2_755
O7 Dy2 O5 78.50(12) . .
O7 Dy2 O11 161.27(13) . .
O5 Dy2 O11 93.66(11) . .
O7 Dy2 O3 116.91(13) . .
O5 Dy2 O3 143.71(13) . .
O11 Dy2 O3 79.36(11) . .
O7 Dy2 O13 81.54(12) . .
O5 Dy2 O13 136.75(12) . .
O11 Dy2 O13 93.21(10) . .
O3 Dy2 O13 79.47(12) . .
O7 Dy2 O11 87.26(13) . 2_655
O5 Dy2 O11 73.19(12) . 2_655
O11 Dy2 O11 74.14(12) . 2_655
O3 Dy2 O11 136.03(11) . 2_655
O13 Dy2 O11 67.86(10) . 2_655
O7 Dy2 O1 76.26(13) . .
O5 Dy2 O1 77.44(12) . .
O11 Dy2 O1 118.98(11) . .
O3 Dy2 O1 75.25(12) . .
O13 Dy2 O1 133.54(11) . .
O11 Dy2 O1 148.65(11) 2_655 .
O7 Dy2 O2 123.54(12) . .
O5 Dy2 O2 72.66(12) . .
O11 Dy2 O2 68.68(10) . .
O3 Dy2 O2 71.64(11) . .
O13 Dy2 O2 148.07(10) . .
O11 Dy2 O2 126.77(10) 2_655 .
O1 Dy2 O2 50.87(10) . .
O7 Dy2 C1 98.56(14) . .
O5 Dy2 C1 69.45(13) . .
O11 Dy2 C1 94.45(12) . .
O3 Dy2 C1 75.60(13) . .
O13 Dy2 C1 152.03(12) . .
O11 Dy2 C1 140.06(12) 2_655 .
O1 Dy2 C1 25.68(12) . .
O2 Dy2 C1 25.78(11) . .
O7 Dy2 Dy2 123.86(11) . 2_655
O5 Dy2 Dy2 81.76(9) . 2_655
O11 Dy2 Dy2 37.51(8) . 2_655
O3 Dy2 Dy2 109.94(9) . 2_655
O13 Dy2 Dy2 78.24(7) . 2_655
O11 Dy2 Dy2 36.63(7) 2_655 2_655
O1 Dy2 Dy2 147.26(8) . 2_655
O2 Dy2 Dy2 98.82(7) . 2_655
C1 Dy2 Dy2 122.24(9) . 2_655
O7 Dy2 Dy1 147.92(9) . .
O5 Dy2 Dy1 70.84(9) . .
O11 Dy2 Dy1 34.85(8) . .
O3 Dy2 Dy1 84.64(9) . .
O13 Dy2 Dy1 127.87(7) . .
O11 Dy2 Dy1 92.66(8) 2_655 .
O1 Dy2 Dy1 87.86(8) . .
O2 Dy2 Dy1 37.52(7) . .
C1 Dy2 Dy1 62.21(9) . .
Dy2 Dy2 Dy1 61.34(3) 2_655 .
O7 Dy2 Dy1 72.52(10) . 2_655
O5 Dy2 Dy1 100.75(9) . 2_655
O11 Dy2 Dy1 92.60(8) . 2_655
O3 Dy2 Dy1 115.02(9) . 2_655
O13 Dy2 Dy1 36.28(7) . 2_655
O11 Dy2 Dy1 34.58(7) 2_655 2_655
O1 Dy2 Dy1 148.40(8) . 2_655
O2 Dy2 Dy1 159.22(7) . 2_655
C1 Dy2 Dy1 168.25(9) . 2_655
Dy2 Dy2 Dy1 60.46(2) 2_655 2_655
Dy1 Dy2 Dy1 121.80(2) . 2_655
C10 N1 C9 117.3(5) . .
C20 N2 C19 118.1(6) . .
C30 N3 C29 117.7(5) . .
C40 N4 C39 118.4(4) . .
C40 N4 Co1 111.5(3) . .
C39 N4 Co1 129.9(3) . .
C1 O1 Dy2 97.2(3) . .
C1 O2 Dy1 157.8(3) . .
C1 O2 Dy2 88.6(3) . .
Dy1 O2 Dy2 100.17(12) . .
C11 O3 Dy2 118.8(3) . .
C11 O4 Dy1 148.7(3) . 1_455
C21 O5 Dy2 131.4(3) . .
C31 O7 Dy2 137.3(3) . .
C31 O8 Dy1 144.6(3) . 1_455
C41 O9 Dy1 157.1(3) . 2_655
C41 O10 Co1 113.7(3) . .
Dy2 O11 Dy1 110.59(12) . .
Dy2 O11 Dy2 105.86(12) . 2_655
Dy1 O11 Dy2 110.33(12) . 2_655
Dy2 O11 H111 105.2 . .
Dy1 O11 H111 117.3 . .
Dy2 O11 H111 106.9 2_655 .
Dy1 O12 H121 112.1 . .
Dy1 O12 H122 105.4 . .
H121 O12 H122 110.3 . .
Dy2 O13 Dy1 122.75(12) . 1_455
Dy2 O13 Dy1 108.35(11) . 2_655
Dy1 O13 Dy1 108.89(11) 1_455 2_655
Dy2 O13 H131 102.4 . .
Dy1 O13 H131 104.7 1_455 .
Dy1 O13 H131 108.9 2_655 .
Co1 O14 H141 123.1 . .
Co1 O14 H142 126.7 . .
H141 O14 H142 110.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.258(5) .
C1 O1 1.263(6) .
C1 C2 1.501(7) .
C1 Dy2 2.892(5) .
C2 C3 1.369(7) .
C2 C10 1.420(7) .
C3 C4 1.415(7) .
C3 H3 0.9300 .
C4 C5 1.413(8) .
C4 C9 1.416(7) .
C5 C6 1.364(9) .
C5 H5 0.9300 .
C6 C7 1.405(10) .
C6 H6 0.9300 .
C7 C8 1.352(10) .
C7 H7 0.9300 .
C8 C9 1.421(7) .
C8 H8 0.9300 .
C9 N1 1.372(7) .
C10 N1 1.311(7) .
C10 H10 0.9300 .
C11 O4 1.242(6) .
C11 O3 1.258(6) .
C11 C12 1.500(6) .
C12 C13 1.366(7) .
C12 C20 1.412(8) .
C13 C14 1.423(7) .
C13 H13 0.9300 .
C14 C19 1.408(10) .
C14 C15 1.430(9) .
C15 C16 1.383(11) .
C15 H15 0.9300 .
C16 C17 1.351(12) .
C16 H16 0.9300 .
C17 C18 1.360(11) .
C17 H17 0.9300 .
C18 C19 1.429(9) .
C18 H18 0.9300 .
C19 N2 1.363(9) .
C20 N2 1.314(8) .
C20 H20 0.9300 .
C21 O6 1.235(6) .
C21 O5 1.271(6) .
C21 C22 1.498(7) .
C22 C23 1.371(7) .
C22 C30 1.408(7) .
C23 C24 1.408(7) .
C23 H23 0.9300 .
C24 C29 1.415(7) .
C24 C25 1.419(8) .
C25 C26 1.374(8) .
C25 H25 0.9300 .
C26 C27 1.405(9) .
C26 H26 0.9300 .
C27 C28 1.365(9) .
C27 H27 0.9300 .
C28 C29 1.422(8) .
C28 H28 0.9300 .
C29 N3 1.375(7) .
C30 N3 1.312(7) .
C30 H30 0.9300 .
C31 O7 1.244(6) .
C31 O8 1.248(5) .
C31 C32 1.509(6) .
C32 C33 1.371(6) .
C32 C40 1.415(6) .
C33 C34 1.407(6) .
C33 H33 0.9300 .
C34 C39 1.418(6) .
C34 C35 1.420(6) .
C35 C36 1.364(7) .
C35 H35 0.9300 .
C36 C37 1.402(8) .
C36 H36 0.9300 .
C37 C38 1.373(7) .
C37 H37 0.9300 .
C38 C39 1.415(6) .
C38 H38 0.9300 .
C39 N4 1.376(6) .
C40 N4 1.330(6) .
C40 C41 1.510(6) .
C41 O10 1.251(6) .
C41 O9 1.254(5) .
Co1 O14 2.056(4) 2_565
Co1 O14 2.056(4) .
Co1 O10 2.130(3) 2_565
Co1 O10 2.130(3) .
Co1 N4 2.221(4) 2_565
Co1 N4 2.221(4) .
Dy1 O8 2.295(3) 1_655
Dy1 O9 2.322(3) 2_655
Dy1 O4 2.323(4) 1_655
Dy1 O11 2.353(3) .
Dy1 O2 2.385(3) .
Dy1 O13 2.409(3) 1_655
Dy1 O13 2.424(3) 2_655
Dy1 O12 2.585(4) .
Dy1 Dy2 3.8545(10) .
Dy1 Dy2 3.8876(12) 2_655
Dy1 Dy1 3.9318(11) 2_755
Dy2 O7 2.291(3) .
Dy2 O5 2.302(3) .
Dy2 O11 2.336(3) .
Dy2 O3 2.368(3) .
Dy2 O13 2.371(3) .
Dy2 O11 2.384(3) 2_655
Dy2 O1 2.448(3) .
Dy2 O2 2.636(4) .
Dy2 Dy2 3.7655(12) 2_655
Dy2 Dy1 3.8876(12) 2_655
O4 Dy1 2.323(4) 1_455
O8 Dy1 2.295(3) 1_455
O9 Dy1 2.322(3) 2_655
O11 Dy2 2.384(3) 2_655
O11 H111 0.8499 .
O12 H121 0.8501 .
O12 H122 0.8500 .
O13 Dy1 2.409(3) 1_455
O13 Dy1 2.424(3) 2_655
O13 H131 0.8500 .
O14 H141 0.8500 .
O14 H142 0.8499 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O11 H111 O6 0.85 2.13 2.953(5) 163.9 2_655
O12 H121 O10 0.85 2.25 3.029(5) 152.4 2_655
O13 H131 O9 0.85 2.47 2.856(4) 108.6 2
O13 H131 O8 0.85 2.70 2.934(4) 97.3 2
O14 H141 N3 0.85 1.92 2.742(6) 161.7 .
O14 H142 O6 0.85 1.91 2.756(5) 177.0 2_665
