#------------------------------------------------------------------------------
#$Date: 2015-06-05 03:20:59 +0300 (Fri, 05 Jun 2015) $
#$Revision: 138059 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/30/4513005.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_4513005
loop_
_publ_author_name
'Wang, Kai'
'Chen, Zi-Lu'
'Zou, Hua-Hong'
'Zhang, Zhong'
'Sun, Wei-Yin'
'Liang, Fu-Pei'
_publ_section_title
;
 Two Types of Cu-Ln Heterometallic Coordination Polymers with
 2-Hydroxyisophthalate: Syntheses, Structures, and Magnetic Properties
;
_journal_issue                   6
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2883
_journal_paper_doi               10.1021/acs.cgd.5b00327
_journal_volume                  15
_journal_year                    2015
_chemical_formula_moiety         'C24 H19 Cu3 Dy O20, H2 O'
_chemical_formula_sum            'C24 H21 Cu3 Dy O21'
_chemical_formula_weight         998.53
_chemical_name_systematic
;
 ? 
;
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2015-04-04
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_cell_angle_alpha                116.010(5)
_cell_angle_beta                 96.509(4)
_cell_angle_gamma                92.511(4)
_cell_formula_units_Z            2
_cell_length_a                   9.8558(5)
_cell_length_b                   12.1424(6)
_cell_length_c                   12.7113(6)
_cell_measurement_temperature    296.15
_cell_volume                     1350.85(13)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0425
_diffrn_reflns_av_unetI/netI     0.0585
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12322
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.90
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    5.169
_exptl_crystal_colour            blue
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    2.455
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             972
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.044
_refine_diff_density_min         -0.863
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     454
_refine_ls_number_reflns         4743
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0448
_refine_ls_R_factor_gt           0.0334
_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)+(0.0280P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0678
_refine_ls_wR_factor_ref         0.0709
_reflns_number_gt                3964
_reflns_number_total             4743
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg5b00327_si_006.cif
_cod_data_source_block           djkdkdkdkdk
_cod_depositor_comments
'Adding full bibliography for 4513003--4513006.cif.'
_cod_original_cell_volume        1350.84(11)
_cod_database_code               4513005
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H) groups, All O(H,H) groups
2.a Free rotating group:
 O21(H21a,H21b)
2.b Rotating group:
 O16(H16a,H16b), O17(H17a,H17b), O18(H18a,H18b), O19(H19a,H19b), O20(H20a)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C11(H11), C12(H12), C13(H13), C19(H19), C20(H20),
 C21(H21)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-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_calc_flag
_atom_site_refinement_flags_posn
Dy1 Dy -0.25001(3) -0.79386(2) -0.27374(2) 0.01967(9) Uani 1 d .
Cu1 Cu -0.18139(7) -1.39358(6) -0.37035(6) 0.02593(18) Uani 1 d .
Cu2 Cu -0.23360(7) -1.17134(6) -0.39593(6) 0.02349(17) Uani 1 d .
Cu3 Cu -0.47234(7) -0.61537(6) -0.49358(6) 0.02243(17) Uani 1 d .
O1 O -0.1040(4) -1.3954(3) -0.0559(3) 0.0282(10) Uani 1 d .
O2 O -0.1422(4) -1.4274(3) -0.2404(3) 0.0218(9) Uani 1 d .
O3 O -0.1860(4) -1.2223(3) -0.2741(3) 0.0217(9) Uani 1 d .
O4 O -0.2356(4) -1.0060(3) -0.2817(3) 0.0210(9) Uani 1 d .
O5 O -0.2077(4) -0.8435(3) -0.1119(3) 0.0273(9) Uani 1 d .
O6 O -0.1050(6) -1.6926(5) -0.6373(4) 0.0754(19) Uani 1 d .
O7 O -0.1921(4) -1.5615(3) -0.4862(3) 0.0304(10) Uani 1 d .
O8 O -0.2336(4) -1.3443(3) -0.4916(3) 0.0235(9) Uani 1 d .
O9 O -0.2863(4) -1.1423(3) -0.5288(3) 0.0307(10) Uani 1 d .
O10 O -0.2694(4) -1.1631(4) -0.7052(3) 0.0340(11) Uani 1 d .
O11 O -0.3692(4) -0.6208(3) -0.1838(3) 0.0269(9) Uani 1 d .
O12 O -0.4260(4) -0.6529(3) -0.3656(3) 0.0256(9) Uani 1 d .
O13 O -0.4716(4) -0.4430(3) -0.3917(3) 0.0210(9) Uani 1 d .
O14 O -0.5221(4) -0.2197(3) -0.3920(3) 0.0302(10) Uani 1 d .
O15 O -0.5196(4) -0.0675(3) -0.2160(3) 0.0308(10) Uani 1 d .
O16 O -0.3164(4) -0.9009(3) -0.4798(3) 0.0343(10) Uani 1 d .
H16A H -0.3985 -0.8867 -0.4993 0.051 Uiso 1 d GR
H16B H -0.3156 -0.9794 -0.5031 0.051 Uiso 1 d GR
O17 O -0.1267(4) -0.6841(3) -0.3580(3) 0.0294(10) Uani 1 d .
H17A H -0.0797 -0.6160 -0.3023 0.044 Uiso 1 d GR
H17B H -0.1840 -0.6632 -0.4029 0.044 Uiso 1 d GR
O18 O -0.0883(4) -0.6390(3) -0.1284(3) 0.0276(10) Uani 1 d .
H18A H -0.0705 -0.6541 -0.0688 0.041 Uiso 1 d GR
H18B H -0.1212 -0.5696 -0.1058 0.041 Uiso 1 d GR
O19 O -0.4656(4) -0.8837(3) -0.2721(3) 0.0306(10) Uani 1 d .
H19A H -0.4621 -0.9604 -0.2934 0.046 Uiso 1 d GR
H19B H -0.5257 -0.8740 -0.3203 0.046 Uiso 1 d GR
O20 O -0.0325(4) -0.8794(4) -0.3225(4) 0.0359(11) Uani 1 d .
H20A H 0.0346 -0.8229 -0.2841 0.054 Uiso 1 d GR
C1 C -0.1308(5) -1.3544(5) -0.1292(5) 0.0197(12) Uani 1 d .
C2 C -0.1515(5) -1.2207(5) -0.0849(5) 0.0174(12) Uani 1 d .
C3 C -0.1508(6) -1.1538(5) 0.0377(5) 0.0258(14) Uani 1 d .
H3 H -0.1381 -1.1944 0.0849 0.031 Uiso 1 calc R
C4 C -0.1682(6) -1.0298(5) 0.0904(5) 0.0308(15) Uani 1 d .
H4 H -0.1684 -0.9874 0.1716 0.037 Uiso 1 calc R
C5 C -0.1852(6) -0.9706(5) 0.0202(5) 0.0237(13) Uani 1 d .
H5 H -0.1939 -0.8866 0.0552 0.028 Uiso 1 calc R
C6 C -0.1898(5) -1.0320(5) -0.1006(5) 0.0189(12) Uani 1 d .
C7 C -0.1756(5) -1.1609(5) -0.1564(5) 0.0166(12) Uani 1 d .
C8 C -0.2127(5) -0.9581(5) -0.1678(5) 0.0202(12) Uani 1 d .
C9 C -0.1569(6) -1.5973(5) -0.5910(5) 0.0265(14) Uani 1 d .
C10 C -0.1850(5) -1.5241(5) -0.6576(5) 0.0219(13) Uani 1 d .
C11 C -0.1788(6) -1.5831(5) -0.7792(5) 0.0269(14) Uani 1 d .
H11 H -0.1574 -1.6641 -0.8131 0.032 Uiso 1 calc R
C12 C -0.2032(6) -1.5255(5) -0.8492(5) 0.0305(14) Uani 1 d .
H12 H -0.2019 -1.5674 -0.9303 0.037 Uiso 1 calc R
C13 C -0.2293(6) -1.4056(5) -0.7987(5) 0.0255(14) Uani 1 d .
H13 H -0.2426 -1.3655 -0.8463 0.031 Uiso 1 calc R
C14 C -0.2370(5) -1.3407(5) -0.6787(5) 0.0185(12) Uani 1 d .
C15 C -0.2195(5) -1.4020(5) -0.6076(5) 0.0193(12) Uani 1 d .
C16 C -0.2656(5) -1.2078(5) -0.6347(5) 0.0230(13) Uani 1 d .
C17 C -0.4153(5) -0.5806(5) -0.2544(5) 0.0215(13) Uani 1 d .
C18 C -0.4541(5) -0.4511(5) -0.2064(4) 0.0157(11) Uani 1 d .
C19 C -0.4604(5) -0.3923(5) -0.0855(5) 0.0234(13) Uani 1 d .
H19 H -0.4433 -0.4346 -0.0404 0.028 Uiso 1 calc R
C20 C -0.4918(6) -0.2719(5) -0.0315(5) 0.0304(14) Uani 1 d .
H20 H -0.5005 -0.2347 0.0485 0.036 Uiso 1 calc R
C21 C -0.5102(6) -0.2075(5) -0.0977(5) 0.0234(13) Uani 1 d .
H21 H -0.5273 -0.1254 -0.0602 0.028 Uiso 1 calc R
C22 C -0.5041(5) -0.2614(5) -0.2185(5) 0.0203(12) Uani 1 d .
C23 C -0.4790(5) -0.3868(5) -0.2752(5) 0.0163(12) Uani 1 d .
C24 C -0.5170(5) -0.1778(5) -0.2771(5) 0.0210(12) Uani 1 d .
H20B H -0.021(6) -0.946(6) -0.337(6) 0.04(2) Uiso 1 d .
O21 O 0.0139(5) -1.1256(4) -0.4158(4) 0.0399(11) Uani 1 d .
H21A H 0.0354 -1.1560 -0.4852 0.060 Uiso 1 d G
H21B H 0.0437 -1.1672 -0.3807 0.060 Uiso 1 d G
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'
Cu Cu 0.3201 1.2651 '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'
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O4 Dy1 C8 26.69(13) . .
O5 Dy1 O4 52.15(12) . .
O5 Dy1 O17 137.14(13) . .
O5 Dy1 O20 83.90(15) . .
O5 Dy1 C8 25.46(14) . .
O11 Dy1 O4 138.68(12) . .
O11 Dy1 O5 98.69(13) . .
O11 Dy1 O16 113.04(13) . .
O11 Dy1 O17 88.75(13) . .
O11 Dy1 O19 77.72(13) . .
O11 Dy1 O20 149.02(14) . .
O11 Dy1 C8 119.61(14) . .
O16 Dy1 O4 85.47(12) . .
O16 Dy1 O5 137.24(13) . .
O16 Dy1 O17 73.72(13) . .
O16 Dy1 O19 82.41(14) . .
O16 Dy1 O20 82.93(15) . .
O16 Dy1 C8 112.00(14) . .
O17 Dy1 O4 132.53(13) . .
O17 Dy1 O20 69.80(14) . .
O17 Dy1 C8 141.80(14) . .
O18 Dy1 O4 114.51(11) . .
O18 Dy1 O5 72.61(12) . .
O18 Dy1 O11 73.83(13) . .
O18 Dy1 O16 142.13(14) . .
O18 Dy1 O17 69.16(13) . .
O18 Dy1 O19 134.05(14) . .
O18 Dy1 O20 77.65(15) . .
O18 Dy1 C8 93.25(13) . .
O19 Dy1 O4 68.20(12) . .
O19 Dy1 O5 77.00(13) . .
O19 Dy1 O17 145.32(12) . .
O19 Dy1 O20 132.28(14) . .
O19 Dy1 C8 70.64(14) . .
O20 Dy1 O4 65.55(13) . .
O20 Dy1 C8 73.47(15) . .
O2 Cu1 Cu2 134.10(11) . .
O2 Cu1 O3 93.54(15) . .
O2 Cu1 O7 94.93(15) . .
O2 Cu1 O8 173.26(16) . .
O3 Cu1 Cu2 40.60(10) . .
O3 Cu1 O7 171.07(15) . .
O3 Cu1 O8 80.82(14) . .
O7 Cu1 Cu2 130.78(11) . .
O7 Cu1 O8 90.54(15) . .
O8 Cu1 Cu2 40.24(11) . .
O3 Cu2 Cu1 40.02(10) . .
O4 Cu2 Cu1 131.40(10) . .
O4 Cu2 O3 91.39(15) . .
O4 Cu2 O8 171.26(15) . .
O8 Cu2 Cu1 40.30(10) . .
O8 Cu2 O3 80.30(14) . .
O9 Cu2 Cu1 133.01(12) . .
O9 Cu2 O3 172.83(16) . .
O9 Cu2 O4 95.51(15) . .
O9 Cu2 O8 92.71(15) . .
O12 Cu3 Cu3 132.81(12) . 2_444
O12 Cu3 O13 172.10(16) . 2_444
O12 Cu3 O13 92.99(15) . .
O13 Cu3 Cu3 39.89(10) . 2_444
O13 Cu3 Cu3 39.80(11) 2_444 2_444
O13 Cu3 O13 79.68(16) . 2_444
O14 Cu3 Cu3 133.65(11) 2_444 2_444
O14 Cu3 O12 93.49(15) 2_444 .
O14 Cu3 O13 173.52(14) 2_444 .
O14 Cu3 O13 93.85(15) 2_444 2_444
C1 O2 Cu1 129.5(3) . .
Cu1 O3 Cu2 99.38(16) . .
C7 O3 Cu1 129.0(3) . .
C7 O3 Cu2 131.2(3) . .
Cu2 O4 Dy1 138.85(17) . .
C8 O4 Dy1 90.9(3) . .
C8 O4 Cu2 129.9(3) . .
C8 O5 Dy1 99.5(3) . .
C9 O7 Cu1 124.6(3) . .
Cu2 O8 Cu1 99.46(16) . .
C15 O8 Cu1 128.5(3) . .
C15 O8 Cu2 127.3(3) . .
C16 O9 Cu2 126.8(3) . .
C17 O11 Dy1 112.5(3) . .
C17 O12 Cu3 128.1(3) . .
Cu3 O13 Cu3 100.32(16) . 2_444
C23 O13 Cu3 127.2(3) . 2_444
C23 O13 Cu3 128.8(3) . .
C24 O14 Cu3 127.9(3) . 2_444
Dy1 O16 H16A 110.4 . .
Dy1 O16 H16B 110.0 . .
H16A O16 H16B 108.6 . .
Dy1 O17 H17A 111.2 . .
Dy1 O17 H17B 110.6 . .
H17A O17 H17B 107.8 . .
Dy1 O18 H18A 109.9 . .
Dy1 O18 H18B 109.3 . .
H18A O18 H18B 109.1 . .
Dy1 O19 H19A 109.4 . .
Dy1 O19 H19B 109.3 . .
H19A O19 H19B 109.3 . .
Dy1 O20 H20A 109.6 . .
Dy1 O20 H20B 123(5) . .
H20A O20 H20B 118.8 . .
O1 C1 O2 119.6(5) . .
O1 C1 C2 118.7(5) . .
O2 C1 C2 121.7(4) . .
C3 C2 C1 116.1(4) . .
C7 C2 C1 124.9(5) . .
C7 C2 C3 118.9(5) . .
C2 C3 H3 118.9 . .
C4 C3 C2 122.1(5) . .
C4 C3 H3 118.9 . .
C3 C4 H4 120.8 . .
C5 C4 C3 118.4(5) . .
C5 C4 H4 120.8 . .
C4 C5 H5 119.0 . .
C4 C5 C6 121.9(5) . .
C6 C5 H5 119.0 . .
C5 C6 C7 120.2(4) . .
C5 C6 C8 116.9(5) . .
C7 C6 C8 122.9(5) . .
O3 C7 C2 121.1(4) . .
O3 C7 C6 120.6(4) . .
C2 C7 C6 118.3(5) . .
O4 C8 Dy1 62.4(2) . .
O4 C8 C6 123.5(5) . .
O5 C8 Dy1 55.0(3) . .
O5 C8 O4 117.5(5) . .
O5 C8 C6 119.0(5) . .
C6 C8 Dy1 174.0(4) . .
O6 C9 O7 120.7(5) . .
O6 C9 C10 119.0(6) . .
O7 C9 C10 120.3(5) . .
C11 C10 C9 116.8(5) . .
C11 C10 C15 118.5(5) . .
C15 C10 C9 124.8(5) . .
C10 C11 H11 119.0 . .
C12 C11 C10 122.0(5) . .
C12 C11 H11 119.0 . .
C11 C12 H12 120.5 . .
C13 C12 C11 118.9(6) . .
C13 C12 H12 120.5 . .
C12 C13 H13 118.8 . .
C12 C13 C14 122.4(5) . .
C14 C13 H13 118.8 . .
C13 C14 C15 118.7(5) . .
C13 C14 C16 116.6(5) . .
C15 C14 C16 124.7(5) . .
O8 C15 C10 120.2(4) . .
O8 C15 C14 120.5(5) . .
C14 C15 C10 119.3(5) . .
O9 C16 C14 122.2(5) . .
O10 C16 O9 119.9(5) . .
O10 C16 C14 117.9(5) . .
O11 C17 O12 117.7(5) . .
O11 C17 C18 119.2(5) . .
O12 C17 C18 123.1(5) . .
C19 C18 C17 116.1(4) . .
C19 C18 C23 119.7(5) . .
C23 C18 C17 124.1(5) . .
C18 C19 H19 119.5 . .
C20 C19 C18 121.0(5) . .
C20 C19 H19 119.5 . .
C19 C20 H20 120.4 . .
C21 C20 C19 119.2(5) . .
C21 C20 H20 120.4 . .
C20 C21 H21 118.9 . .
C20 C21 C22 122.1(5) . .
C22 C21 H21 118.9 . .
C21 C22 C23 118.6(5) . .
C21 C22 C24 116.1(5) . .
C23 C22 C24 125.2(5) . .
O13 C23 C18 119.8(4) . .
O13 C23 C22 120.9(4) . .
C18 C23 C22 119.2(5) . .
O14 C24 C22 121.7(5) . .
O15 C24 O14 119.2(5) . .
O15 C24 C22 119.1(5) . .
H21A O21 H21B 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O4 2.544(3) .
Dy1 O5 2.384(3) .
Dy1 O11 2.349(4) .
Dy1 O16 2.352(4) .
Dy1 O17 2.409(4) .
Dy1 O18 2.348(3) .
Dy1 O19 2.352(4) .
Dy1 O20 2.448(4) .
Dy1 C8 2.869(5) .
Cu1 Cu2 2.9166(9) .
Cu1 O2 1.874(3) .
Cu1 O3 1.901(3) .
Cu1 O7 1.910(4) .
Cu1 O8 1.912(3) .
Cu2 O3 1.924(3) .
Cu2 O4 1.895(3) .
Cu2 O8 1.910(4) .
Cu2 O9 1.894(4) .
Cu3 Cu3 2.9477(12) 2_444
Cu3 O12 1.887(3) .
Cu3 O13 1.918(4) .
Cu3 O13 1.921(3) 2_444
Cu3 O14 1.883(4) 2_444
O1 C1 1.244(6) .
O2 C1 1.286(6) .
O3 C7 1.336(6) .
O4 C8 1.289(6) .
O5 C8 1.251(6) .
O6 C9 1.213(7) .
O7 C9 1.300(7) .
O8 C15 1.353(6) .
O9 C16 1.274(7) .
O10 C16 1.234(6) .
O11 C17 1.249(6) .
O12 C17 1.285(6) .
O13 Cu3 1.921(3) 2_444
O13 C23 1.345(6) .
O14 Cu3 1.883(4) 2_444
O14 C24 1.313(6) .
O15 C24 1.221(6) .
O16 H16A 0.8663 .
O16 H16B 0.8666 .
O17 H17A 0.8817 .
O17 H17B 0.8811 .
O18 H18A 0.8557 .
O18 H18B 0.8546 .
O19 H19A 0.8521 .
O19 H19B 0.8523 .
O20 H20A 0.8597 .
O20 H20B 0.77(6) .
C1 C2 1.500(7) .
C2 C3 1.405(7) .
C2 C7 1.399(7) .
C3 H3 0.9300 .
C3 C4 1.383(8) .
C4 H4 0.9300 .
C4 C5 1.372(7) .
C5 H5 0.9300 .
C5 C6 1.375(7) .
C6 C7 1.428(7) .
C6 C8 1.494(7) .
C9 C10 1.488(7) .
C10 C11 1.400(7) .
C10 C15 1.408(7) .
C11 H11 0.9300 .
C11 C12 1.361(7) .
C12 H12 0.9300 .
C12 C13 1.360(8) .
C13 H13 0.9300 .
C13 C14 1.390(7) .
C14 C15 1.403(7) .
C14 C16 1.510(7) .
C17 C18 1.502(7) .
C18 C19 1.392(7) .
C18 C23 1.415(7) .
C19 H19 0.9300 .
C19 C20 1.383(8) .
C20 H20 0.9300 .
C20 C21 1.381(7) .
C21 H21 0.9300 .
C21 C22 1.391(7) .
C22 C23 1.418(7) .
C22 C24 1.501(7) .
O21 H21A 0.8503 .
O21 H21B 0.8497 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
Dy1 O4 C8 O5 -0.3(5) . .
Dy1 O4 C8 C6 -179.3(5) . .
Dy1 O5 C8 O4 0.3(5) . .
Dy1 O5 C8 C6 179.4(4) . .
Dy1 O11 C17 O12 18.5(6) . .
Dy1 O11 C17 C18 -160.9(4) . .
Cu1 Cu2 O3 C7 -172.6(5) . .
Cu1 Cu2 O4 Dy1 171.21(16) . .
Cu1 Cu2 O4 C8 0.7(5) . .
Cu1 Cu2 O8 C15 -157.0(5) . .
Cu1 Cu2 O9 C16 -25.4(5) . .
Cu1 O2 C1 O1 180.0(4) . .
Cu1 O2 C1 C2 1.1(7) . .
Cu1 O3 C7 C2 3.4(7) . .
Cu1 O3 C7 C6 -176.2(4) . .
Cu1 O7 C9 O6 145.2(6) . .
Cu1 O7 C9 C10 -37.2(7) . .
Cu1 O8 C15 C10 12.4(7) . .
Cu1 O8 C15 C14 -166.7(4) . .
Cu2 Cu1 O2 C1 0.6(5) . .
Cu2 Cu1 O3 C7 172.8(5) . .
Cu2 Cu1 O7 C9 37.1(5) . .
Cu2 Cu1 O8 C15 156.6(5) . .
Cu2 O3 C7 C2 173.9(4) . .
Cu2 O3 C7 C6 -5.7(7) . .
Cu2 O4 C8 Dy1 173.8(4) . .
Cu2 O4 C8 O5 173.5(3) . .
Cu2 O4 C8 C6 -5.6(8) . .
Cu2 O8 C15 C10 163.0(4) . .
Cu2 O8 C15 C14 -16.1(7) . .
Cu2 O9 C16 O10 -159.8(4) . .
Cu2 O9 C16 C14 20.6(7) . .
Cu3 Cu3 O12 C17 3.3(5) 2_444 .
Cu3 Cu3 O13 C23 159.0(5) 2_444 .
Cu3 O12 C17 O11 -172.6(3) . .
Cu3 O12 C17 C18 6.9(7) . .
Cu3 O13 C23 C18 169.7(3) 2_444 .
Cu3 O13 C23 C18 16.0(7) . .
Cu3 O13 C23 C22 -167.5(4) . .
Cu3 O13 C23 C22 -13.7(7) 2_444 .
Cu3 O14 C24 O15 -177.1(4) 2_444 .
Cu3 O14 C24 C22 4.7(7) 2_444 .
O1 C1 C2 C3 -5.5(7) . .
O1 C1 C2 C7 176.8(5) . .
O2 Cu1 Cu2 O3 3.1(2) . .
O2 Cu1 Cu2 O4 1.5(2) . .
O2 Cu1 Cu2 O8 -174.6(2) . .
O2 Cu1 Cu2 O9 -174.5(2) . .
O2 Cu1 O3 Cu2 -177.80(17) . .
O2 Cu1 O3 C7 -5.0(4) . .
O2 Cu1 O7 C9 -147.5(4) . .
O2 Cu1 O8 Cu2 34.8(14) . .
O2 Cu1 O8 C15 -168.6(12) . .
O2 C1 C2 C3 173.4(5) . .
O2 C1 C2 C7 -4.3(8) . .
O3 Cu1 Cu2 O4 -1.6(2) . .
O3 Cu1 Cu2 O8 -177.7(2) . .
O3 Cu1 Cu2 O9 -177.6(2) . .
O3 Cu1 O2 C1 2.6(5) . .
O3 Cu1 O7 C9 51.0(13) . .
O3 Cu1 O8 Cu2 1.51(16) . .
O3 Cu1 O8 C15 158.1(4) . .
O3 Cu2 O4 Dy1 170.2(3) . .
O3 Cu2 O4 C8 -0.3(5) . .
O3 Cu2 O8 Cu1 -1.49(16) . .
O3 Cu2 O8 C15 -158.5(4) . .
O3 Cu2 O9 C16 -38.0(16) . .
O4 Dy1 O5 C8 -0.2(3) . .
O4 Dy1 O11 C17 -134.3(3) . .
O4 Dy1 C8 O5 179.7(5) . .
O4 Dy1 C8 C6 175(4) . .
O4 Cu2 O3 Cu1 178.80(17) . .
O4 Cu2 O3 C7 6.2(4) . .
O4 Cu2 O8 Cu1 -19.6(11) . .
O4 Cu2 O8 C15 -176.6(9) . .
O4 Cu2 O9 C16 157.6(5) . .
O5 Dy1 O4 Cu2 -172.6(3) . .
O5 Dy1 O4 C8 0.2(3) . .
O5 Dy1 O11 C17 -174.3(3) . .
O5 Dy1 C8 O4 -179.7(5) . .
O5 Dy1 C8 C6 -5(3) . .
O6 C9 C10 C11 14.2(9) . .
O6 C9 C10 C15 -167.1(6) . .
O7 Cu1 Cu2 O3 176.7(2) . .
O7 Cu1 Cu2 O4 175.1(2) . .
O7 Cu1 Cu2 O8 -1.0(2) . .
O7 Cu1 Cu2 O9 -0.9(3) . .
O7 Cu1 O2 C1 -174.5(4) . .
O7 Cu1 O3 Cu2 -16.3(12) . .
O7 Cu1 O3 C7 156.5(10) . .
O7 Cu1 O8 Cu2 179.24(19) . .
O7 Cu1 O8 C15 -24.1(4) . .
O7 C9 C10 C11 -163.5(5) . .
O7 C9 C10 C15 15.2(9) . .
O8 Cu1 Cu2 O3 177.7(2) . .
O8 Cu1 Cu2 O4 176.1(2) . .
O8 Cu1 Cu2 O9 0.1(3) . .
O8 Cu1 O2 C1 -30.3(16) . .
O8 Cu1 O3 Cu2 -1.50(16) . .
O8 Cu1 O3 C7 171.3(4) . .
O8 Cu1 O7 C9 36.4(4) . .
O8 Cu2 O3 Cu1 1.50(16) . .
O8 Cu2 O3 C7 -171.1(5) . .
O8 Cu2 O4 Dy1 -172.0(9) . .
O8 Cu2 O4 C8 17.5(13) . .
O8 Cu2 O9 C16 -25.3(5) . .
O9 Cu2 O3 Cu1 14.3(14) . .
O9 Cu2 O3 C7 -158.2(12) . .
O9 Cu2 O4 Dy1 -11.7(3) . .
O9 Cu2 O4 C8 177.7(4) . .
O9 Cu2 O8 Cu1 -179.90(18) . .
O9 Cu2 O8 C15 23.1(4) . .
O11 Dy1 O4 Cu2 133.9(2) . .
O11 Dy1 O4 C8 -53.4(4) . .
O11 Dy1 O5 C8 147.3(3) . .
O11 Dy1 C8 O4 142.5(3) . .
O11 Dy1 C8 O5 -37.9(4) . .
O11 Dy1 C8 C6 -43(4) . .
O11 C17 C18 C19 -11.9(7) . .
O11 C17 C18 C23 165.9(5) . .
O12 Cu3 O13 Cu3 -177.01(17) . 2_444
O12 Cu3 O13 C23 -18.0(4) . .
O12 C17 C18 C19 168.7(5) . .
O12 C17 C18 C23 -13.5(8) . .
O13 Cu3 O12 C17 -16.0(14) 2_444 .
O13 Cu3 O12 C17 5.9(5) . .
O13 Cu3 O13 Cu3 0.0 2_444 2_444
O13 Cu3 O13 C23 159.0(5) 2_444 .
O14 Cu3 O12 C17 -174.2(4) 2_444 .
O14 Cu3 O13 Cu3 4.2(16) 2_444 2_444
O14 Cu3 O13 C23 163.3(13) 2_444 .
O16 Dy1 O4 Cu2 13.6(3) . .
O16 Dy1 O4 C8 -173.7(3) . .
O16 Dy1 O5 C8 8.9(4) . .
O16 Dy1 O11 C17 -23.6(4) . .
O16 Dy1 C8 O4 6.8(3) . .
O16 Dy1 C8 O5 -173.5(3) . .
O16 Dy1 C8 C6 -178(4) . .
O17 Dy1 O4 Cu2 -49.4(3) . .
O17 Dy1 O4 C8 123.3(3) . .
O17 Dy1 O5 C8 -115.1(3) . .
O17 Dy1 O11 C17 48.1(4) . .
O17 Dy1 C8 O4 -84.6(3) . .
O17 Dy1 C8 O5 95.1(4) . .
O17 Dy1 C8 C6 90(4) . .
O18 Dy1 O4 Cu2 -132.9(3) . .
O18 Dy1 O4 C8 39.8(3) . .
O18 Dy1 O5 C8 -142.8(4) . .
O18 Dy1 O11 C17 116.7(4) . .
O18 Dy1 C8 O4 -144.3(3) . .
O18 Dy1 C8 O5 35.3(3) . .
O18 Dy1 C8 C6 30(4) . .
O19 Dy1 O4 Cu2 97.2(3) . .
O19 Dy1 O4 C8 -90.0(3) . .
O19 Dy1 O5 C8 72.2(3) . .
O19 Dy1 O11 C17 -99.8(4) . .
O19 Dy1 C8 O4 79.8(3) . .
O19 Dy1 C8 O5 -100.6(3) . .
O19 Dy1 C8 C6 -105(4) . .
O20 Dy1 O4 Cu2 -70.7(3) . .
O20 Dy1 O4 C8 102.0(3) . .
O20 Dy1 O5 C8 -63.8(3) . .
O20 Dy1 O11 C17 93.1(4) . .
O20 Dy1 C8 O4 -68.2(3) . .
O20 Dy1 C8 O5 111.4(3) . .
O20 Dy1 C8 C6 107(4) . .
C1 C2 C3 C4 179.8(5) . .
C1 C2 C7 O3 2.0(8) . .
C1 C2 C7 C6 -178.4(5) . .
C2 C3 C4 C5 -0.7(9) . .
C3 C2 C7 O3 -175.7(5) . .
C3 C2 C7 C6 3.9(7) . .
C3 C4 C5 C6 2.2(9) . .
C4 C5 C6 C7 -0.5(9) . .
C4 C5 C6 C8 178.4(5) . .
C5 C6 C7 O3 177.0(5) . .
C5 C6 C7 C2 -2.6(8) . .
C5 C6 C8 Dy1 14(4) . .
C5 C6 C8 O4 -171.4(5) . .
C5 C6 C8 O5 9.6(8) . .
C7 C2 C3 C4 -2.4(8) . .
C7 C6 C8 Dy1 -167(3) . .
C7 C6 C8 O4 7.5(8) . .
C7 C6 C8 O5 -171.6(5) . .
C8 Dy1 O4 Cu2 -172.7(5) . .
C8 Dy1 O11 C17 -158.8(3) . .
C8 C6 C7 O3 -1.8(8) . .
C8 C6 C7 C2 178.6(5) . .
C9 C10 C11 C12 179.7(5) . .
C9 C10 C15 O8 -2.2(8) . .
C9 C10 C15 C14 176.9(5) . .
C10 C11 C12 C13 2.4(9) . .
C11 C10 C15 O8 176.5(5) . .
C11 C10 C15 C14 -4.4(8) . .
C11 C12 C13 C14 -2.4(9) . .
C12 C13 C14 C15 -1.1(8) . .
C12 C13 C14 C16 179.5(5) . .
C13 C14 C15 O8 -176.4(5) . .
C13 C14 C15 C10 4.5(7) . .
C13 C14 C16 O9 174.0(5) . .
C13 C14 C16 O10 -5.6(7) . .
C15 C10 C11 C12 0.9(8) . .
C15 C14 C16 O9 -5.3(8) . .
C15 C14 C16 O10 175.1(5) . .
C16 C14 C15 O8 2.9(8) . .
C16 C14 C15 C10 -176.2(5) . .
C17 C18 C19 C20 178.4(5) . .
C17 C18 C23 O13 1.7(7) . .
C17 C18 C23 C22 -175.0(5) . .
C18 C19 C20 C21 -3.3(9) . .
C19 C18 C23 O13 179.3(5) . .
C19 C18 C23 C22 2.7(7) . .
C19 C20 C21 C22 2.9(9) . .
C20 C21 C22 C23 0.4(8) . .
C20 C21 C22 C24 -176.2(5) . .
C21 C22 C23 O13 -179.7(5) . .
C21 C22 C23 C18 -3.1(7) . .
C21 C22 C24 O14 -175.3(5) . .
C21 C22 C24 O15 6.4(7) . .
C23 C18 C19 C20 0.5(8) . .
C23 C22 C24 O14 8.4(8) . .
C23 C22 C24 O15 -169.9(5) . .
C24 C22 C23 O13 -3.5(8) . .
C24 C22 C23 C18 173.1(5) . .
