#------------------------------------------------------------------------------
#$Date: 2016-03-31 10:01:01 +0300 (Thu, 31 Mar 2016) $
#$Revision: 180650 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/47/7224765.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_7224765
loop_
_publ_author_name
'Shen, Hai-Yun'
'Wang, Wen-Min'
'Gao, Hong-Ling'
'Cui, Jian-Zhong'
_publ_section_title
;
 Near-infrared luminescence and SMM behaviors of a family of dinuclear
 lanthanide 8-quinolinolate complexes
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C6RA02656G
_journal_year                    2016
_chemical_formula_sum            'C40 H32 Dy N O6'
_chemical_formula_weight         785.17
_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
;
2016-01-20 deposited with the CCDC.
2016-03-28 downloaded from the CCDC.
;
_cell_angle_alpha                97.05(3)
_cell_angle_beta                 98.50(3)
_cell_angle_gamma                115.22(3)
_cell_formula_units_Z            2
_cell_length_a                   10.353(2)
_cell_length_b                   11.927(2)
_cell_length_c                   15.210(3)
_cell_measurement_reflns_used    5618
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.8625
_cell_measurement_theta_min      2.1283
_cell_volume                     1643.8(8)
_computing_cell_refinement       crystalclear
_computing_data_collection       crystalclear
_computing_data_reduction        crystalclear
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'rigaku saturn'
_diffrn_measurement_method       '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  0.0323
_diffrn_reflns_av_sigmaI/netI    0.0442
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13619
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.93
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.323
_exptl_absorpt_correction_T_max  0.7679
_exptl_absorpt_correction_T_min  0.6537
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   crystalclear
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             786
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.286
_refine_diff_density_min         -1.179
_refine_diff_density_rms         0.258
_refine_ls_extinction_coef       0.0310(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.225
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     488
_refine_ls_number_reflns         5737
_refine_ls_number_restraints     150
_refine_ls_restrained_S_all      1.228
_refine_ls_R_factor_all          0.0308
_refine_ls_R_factor_gt           0.0275
_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)+(0.0490P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0759
_refine_ls_wR_factor_ref         0.0879
_reflns_number_gt                5376
_reflns_number_total             5737
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6ra02656g2.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 
;
_cod_original_cell_volume        1643.9(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7224765
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.352070(16) 0.371580(14) 0.397866(9) 0.01330(11) Uani 1 1 d . . .
O1 O 0.3943(3) 0.5049(2) 0.53822(16) 0.0158(6) Uani 1 1 d . . .
O2 O 0.3886(3) 0.5676(2) 0.35796(17) 0.0179(6) Uani 1 1 d . . .
O3 O 0.1458(3) 0.3391(3) 0.28813(17) 0.0193(6) Uani 1 1 d . . .
O4 O 0.2325(3) 0.1588(3) 0.33120(18) 0.0205(6) Uani 1 1 d . A .
O5 O 0.4288(3) 0.3522(3) 0.26505(18) 0.0242(6) Uani 1 1 d . A .
O6 O 0.4275(3) 0.2547(3) 0.49665(18) 0.0253(7) Uani 1 1 d . . .
H6 H 0.4533 0.2939 0.5591 0.030 Uiso 1 1 calc R . .
N1 N 0.1362(3) 0.3000(3) 0.4709(2) 0.0223(8) Uani 1 1 d . . .
C1 C 0.0116(5) 0.1954(5) 0.4421(3) 0.0343(11) Uani 1 1 d . . .
H1A H 0.0086 0.1294 0.3987 0.041 Uiso 1 1 calc R . .
C2 C -0.1164(5) 0.1764(6) 0.4717(3) 0.0439(14) Uani 1 1 d . . .
H2A H -0.2027 0.0982 0.4504 0.053 Uiso 1 1 calc R . .
C3 C -0.1153(5) 0.2711(5) 0.5313(3) 0.0390(13) Uani 1 1 d . . .
H3A H -0.2019 0.2602 0.5511 0.047 Uiso 1 1 calc R . .
C4 C 0.0136(5) 0.3855(5) 0.5639(3) 0.0287(10) Uani 1 1 d . . .
C5 C 0.0237(5) 0.4897(5) 0.6242(3) 0.0330(11) Uani 1 1 d . . .
H5A H -0.0600 0.4857 0.6451 0.040 Uiso 1 1 calc R . .
C6 C 0.1530(5) 0.5957(5) 0.6525(3) 0.0352(11) Uani 1 1 d . . .
H6A H 0.1587 0.6659 0.6929 0.042 Uiso 1 1 calc R . .
C7 C 0.2798(5) 0.6045(4) 0.6232(3) 0.0257(9) Uani 1 1 d . . .
H7A H 0.3687 0.6806 0.6436 0.031 Uiso 1 1 calc R . .
C8 C 0.2763(4) 0.5043(4) 0.5657(2) 0.0174(8) Uani 1 1 d . . .
C9 C 0.1401(4) 0.3947(4) 0.5330(2) 0.0196(8) Uani 1 1 d . . .
C10 C 0.5693(4) 0.7877(4) 0.2892(3) 0.0226(9) Uani 1 1 d . . .
H10A H 0.6210 0.7406 0.3036 0.027 Uiso 1 1 calc R . .
C11 C 0.6447(5) 0.9110(4) 0.2796(3) 0.0281(10) Uani 1 1 d . . .
H11A H 0.7475 0.9469 0.2845 0.034 Uiso 1 1 calc R . .
C12 C 0.5714(5) 0.9828(4) 0.2627(3) 0.0316(11) Uani 1 1 d . . .
H12A H 0.6242 1.0686 0.2581 0.038 Uiso 1 1 calc R . .
C13 C 0.4211(5) 0.9286(4) 0.2525(3) 0.0293(10) Uani 1 1 d . . .
H13A H 0.3703 0.9773 0.2410 0.035 Uiso 1 1 calc R . .
C14 C 0.3446(5) 0.8043(4) 0.2590(3) 0.0226(9) Uani 1 1 d . . .
H14A H 0.2411 0.7675 0.2506 0.027 Uiso 1 1 calc R . .
C15 C 0.4166(4) 0.7317(4) 0.2778(2) 0.0191(8) Uani 1 1 d . . .
C16 C 0.3361(4) 0.5976(4) 0.2874(3) 0.0177(9) Uani 1 1 d . . .
C17 C 0.2160(4) 0.5141(4) 0.2186(3) 0.0191(9) Uani 1 1 d . . .
H17A H 0.1925 0.5444 0.1666 0.023 Uiso 1 1 calc R . .
C18 C 0.1280(4) 0.3883(4) 0.2218(2) 0.0176(8) Uani 1 1 d . . .
C19 C 0.0031(4) 0.3034(4) 0.1429(3) 0.0213(9) Uani 1 1 d . . .
C20 C -0.0046(6) 0.3317(5) 0.0576(3) 0.0477(15) Uani 1 1 d . . .
H20A H 0.0685 0.4079 0.0477 0.057 Uiso 1 1 calc R . .
C21 C -0.1197(7) 0.2485(6) -0.0139(4) 0.0603(18) Uani 1 1 d . . .
H21A H -0.1241 0.2675 -0.0728 0.072 Uiso 1 1 calc R . .
C22 C -0.2265(6) 0.1396(5) -0.0001(3) 0.0399(13) Uani 1 1 d . . .
H22A H -0.3064 0.0845 -0.0489 0.048 Uiso 1 1 calc R . .
C23 C -0.2181(5) 0.1100(4) 0.0840(3) 0.0350(11) Uani 1 1 d . . .
H23A H -0.2914 0.0336 0.0936 0.042 Uiso 1 1 calc R . .
C24 C -0.1028(5) 0.1915(4) 0.1550(3) 0.0280(10) Uani 1 1 d . . .
H24A H -0.0967 0.1699 0.2131 0.034 Uiso 1 1 calc R . .
C25 C 0.0355(10) -0.1033(8) 0.2839(5) 0.023(3) Uani 0.50 1 d PGU A 1
H25 H 0.0988 -0.0738 0.3425 0.027 Uiso 0.50 1 calc PR A 1
C26 C -0.0856(9) -0.2218(8) 0.2625(5) 0.024(3) Uani 0.50 1 d PGU A 1
H26 H -0.1050 -0.2734 0.3065 0.029 Uiso 0.50 1 calc PR A 1
C27 C -0.1782(7) -0.2649(5) 0.1766(5) 0.034(3) Uani 0.50 1 d PGU A 1
H27 H -0.2609 -0.3459 0.1620 0.041 Uiso 0.50 1 calc PR A 1
C28 C -0.1497(7) -0.1894(6) 0.1122(4) 0.033(3) Uani 0.50 1 d PGU A 1
H28 H -0.2130 -0.2189 0.0536 0.039 Uiso 0.50 1 calc PR A 1
C29 C -0.0287(8) -0.0709(6) 0.1336(5) 0.022(2) Uani 0.50 1 d PGU A 1
H29 H -0.0093 -0.0193 0.0896 0.026 Uiso 0.50 1 calc PR A 1
C30 C 0.0639(8) -0.0278(6) 0.2194(6) 0.024(4) Uani 0.50 1 d PGDU A 1
C31 C 0.1925(4) 0.1008(3) 0.2486(3) 0.0206(9) Uani 1 1 d D . .
C25' C 0.0301(11) -0.0844(8) 0.3091(5) 0.024(3) Uani 0.50 1 d PGU A 2
H25' H 0.0792 -0.0357 0.3688 0.029 Uiso 0.50 1 calc PR A 2
C26' C -0.0795(10) -0.2077(8) 0.2965(5) 0.034(3) Uani 0.50 1 d PGU A 2
H26' H -0.1053 -0.2433 0.3477 0.040 Uiso 0.50 1 calc PR A 2
C27' C -0.1513(8) -0.2789(5) 0.2092(6) 0.042(3) Uani 0.50 1 d PGU A 2
H27' H -0.2261 -0.3632 0.2006 0.050 Uiso 0.50 1 calc PR A 2
C28' C -0.1135(9) -0.2268(7) 0.1344(5) 0.050(3) Uani 0.50 1 d PGU A 2
H28' H -0.1625 -0.2755 0.0747 0.060 Uiso 0.50 1 calc PR A 2
C29' C -0.0039(9) -0.1035(7) 0.1469(6) 0.037(3) Uani 0.50 1 d PGU A 2
H29' H 0.0219 -0.0679 0.0958 0.045 Uiso 0.50 1 calc PR A 2
C30' C 0.0679(9) -0.0323(5) 0.2343(7) 0.020(4) Uani 0.50 1 d PGDU A 2
C32 C 0.2624(4) 0.1482(4) 0.1805(3) 0.0222(9) Uani 1 1 d . A .
H32A H 0.2273 0.0954 0.1215 0.027 Uiso 1 1 calc R . .
C33 C 0.3810(4) 0.2685(4) 0.1926(2) 0.0228(9) Uani 1 1 d D . .
C34 C 0.4678(6) 0.2894(7) 0.1216(4) 0.021(3) Uani 0.50 1 d PGDU A 1
C35 C 0.4090(5) 0.2226(6) 0.0322(4) 0.033(3) Uani 0.50 1 d PGU A 1
H35A H 0.3100 0.1592 0.0148 0.039 Uiso 0.50 1 calc PR A 1
C36 C 0.4949(7) 0.2486(6) -0.0318(3) 0.0407(14) Uani 0.50 1 d PGU A 1
H36A H 0.4547 0.2029 -0.0930 0.049 Uiso 0.50 1 calc PR A 1
C37 C 0.6398(7) 0.3413(6) -0.0064(3) 0.038(2) Uani 0.50 1 d PGU A 1
H37A H 0.6985 0.3590 -0.0502 0.046 Uiso 0.50 1 calc PR A 1
C38 C 0.6987(5) 0.4081(5) 0.0830(4) 0.032(2) Uani 0.50 1 d PGU A 1
H38A H 0.7977 0.4715 0.1004 0.038 Uiso 0.50 1 calc PR A 1
C39 C 0.6127(6) 0.3822(6) 0.1471(3) 0.0255(19) Uani 0.50 1 d PGU A 1
H39A H 0.6530 0.4278 0.2082 0.031 Uiso 0.50 1 calc PR A 1
C34' C 0.4474(7) 0.3151(6) 0.1118(4) 0.025(3) Uani 0.50 1 d PGDU A 2
C35' C 0.4664(8) 0.2282(5) 0.0520(5) 0.026(2) Uani 0.50 1 d PGU A 2
H35B H 0.4409 0.1454 0.0627 0.031 Uiso 0.50 1 calc PR A 2
C36' C 0.5227(8) 0.2626(5) -0.0234(4) 0.0407(14) Uani 0.50 1 d PGU A 2
H36B H 0.5356 0.2033 -0.0642 0.049 Uiso 0.50 1 calc PR A 2
C37' C 0.5600(7) 0.3839(6) -0.0390(3) 0.032(2) Uani 0.50 1 d PGU A 2
H37B H 0.5985 0.4074 -0.0905 0.039 Uiso 0.50 1 calc PR A 2
C38' C 0.5410(6) 0.4707(4) 0.0208(4) 0.028(2) Uani 0.50 1 d PGU . 2
H38B H 0.5667 0.5538 0.0098 0.034 Uiso 0.50 1 d PR A 2
C39' C 0.4847(7) 0.4363(5) 0.0961(3) 0.0206(17) Uani 0.50 1 d PGU A 2
H39B H 0.4715 0.4957 0.1374 0.025 Uiso 0.50 1 d PR A 2
C40 C 0.4417(5) 0.1418(4) 0.4822(3) 0.0311(10) Uani 1 1 d . . .
H40A H 0.4751 0.1255 0.5408 0.047 Uiso 1 1 calc R . .
H40B H 0.5131 0.1502 0.4446 0.047 Uiso 1 1 calc R . .
H40C H 0.3466 0.0711 0.4512 0.047 Uiso 1 1 calc 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'
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
O5 Dy1 O4 73.78(10) . .
O5 Dy1 O1 145.91(10) . .
O4 Dy1 O1 139.00(10) . .
O5 Dy1 O3 78.31(10) . .
O4 Dy1 O3 72.79(10) . .
O1 Dy1 O3 115.32(9) . .
O5 Dy1 O1 83.62(9) . 2_666
O4 Dy1 O1 127.17(10) . 2_666
O1 Dy1 O1 68.55(10) . 2_666
O3 Dy1 O1 147.63(10) . 2_666
O5 Dy1 O2 79.69(10) . .
O4 Dy1 O2 138.40(9) . .
O1 Dy1 O2 76.37(9) . .
O3 Dy1 O2 70.85(10) . .
O1 Dy1 O2 79.69(9) 2_666 .
O5 Dy1 O6 108.68(10) . .
O4 Dy1 O6 70.79(10) . .
O1 Dy1 O6 82.08(9) . .
O3 Dy1 O6 138.84(10) . .
O1 Dy1 O6 72.55(10) 2_666 .
O2 Dy1 O6 149.60(9) . .
O5 Dy1 N1 145.13(10) . .
O4 Dy1 N1 79.58(11) . .
O1 Dy1 N1 66.62(10) . .
O3 Dy1 N1 72.53(10) . .
O1 Dy1 N1 130.97(9) 2_666 .
O2 Dy1 N1 107.54(11) . .
O6 Dy1 N1 82.58(11) . .
O5 Dy1 Dy1 115.66(7) . 2_666
O4 Dy1 Dy1 145.30(7) . 2_666
O1 Dy1 Dy1 34.33(6) . 2_666
O3 Dy1 Dy1 140.37(7) . 2_666
O1 Dy1 Dy1 34.22(6) 2_666 2_666
O2 Dy1 Dy1 75.47(7) . 2_666
O6 Dy1 Dy1 74.64(7) . 2_666
N1 Dy1 Dy1 99.06(8) . 2_666
C8 O1 Dy1 117.3(2) . .
C8 O1 Dy1 131.2(2) . 2_666
Dy1 O1 Dy1 111.45(10) . 2_666
C16 O2 Dy1 133.6(2) . .
C18 O3 Dy1 134.0(3) . .
C31 O4 Dy1 131.9(3) . .
C33 O5 Dy1 134.9(3) . .
C40 O6 Dy1 134.5(2) . .
C40 O6 H6 112.8 . .
Dy1 O6 H6 112.8 . .
C1 N1 C9 118.0(4) . .
C1 N1 Dy1 127.0(3) . .
C9 N1 Dy1 113.0(3) . .
N1 C1 C2 123.7(4) . .
N1 C1 H1A 118.2 . .
C2 C1 H1A 118.2 . .
C3 C2 C1 118.9(5) . .
C3 C2 H2A 120.6 . .
C1 C2 H2A 120.6 . .
C2 C3 C4 120.2(4) . .
C2 C3 H3A 119.9 . .
C4 C3 H3A 119.9 . .
C3 C4 C5 124.0(4) . .
C3 C4 C9 117.1(4) . .
C5 C4 C9 118.9(4) . .
C6 C5 C4 119.8(4) . .
C6 C5 H5A 120.1 . .
C4 C5 H5A 120.1 . .
C5 C6 C7 121.5(4) . .
C5 C6 H6A 119.2 . .
C7 C6 H6A 119.2 . .
C8 C7 C6 120.9(4) . .
C8 C7 H7A 119.5 . .
C6 C7 H7A 119.5 . .
O1 C8 C7 123.8(4) . .
O1 C8 C9 118.3(3) . .
C7 C8 C9 117.9(4) . .
N1 C9 C8 117.1(3) . .
N1 C9 C4 122.0(4) . .
C8 C9 C4 120.8(4) . .
C11 C10 C15 120.3(4) . .
C11 C10 H10A 119.9 . .
C15 C10 H10A 119.9 . .
C10 C11 C12 120.5(4) . .
C10 C11 H11A 119.8 . .
C12 C11 H11A 119.8 . .
C13 C12 C11 119.4(4) . .
C13 C12 H12A 120.3 . .
C11 C12 H12A 120.3 . .
C14 C13 C12 120.3(4) . .
C14 C13 H13A 119.9 . .
C12 C13 H13A 119.9 . .
C13 C14 C15 121.0(4) . .
C13 C14 H14A 119.5 . .
C15 C14 H14A 119.5 . .
C14 C15 C10 118.4(4) . .
C14 C15 C16 121.8(4) . .
C10 C15 C16 119.7(3) . .
O2 C16 C17 125.3(4) . .
O2 C16 C15 116.4(3) . .
C17 C16 C15 118.3(3) . .
C16 C17 C18 123.6(4) . .
C16 C17 H17A 118.2 . .
C18 C17 H17A 118.2 . .
O3 C18 C17 123.8(4) . .
O3 C18 C19 116.2(4) . .
C17 C18 C19 120.0(4) . .
C24 C19 C20 118.9(4) . .
C24 C19 C18 119.1(4) . .
C20 C19 C18 121.9(4) . .
C19 C20 C21 119.9(5) . .
C19 C20 H20A 120.1 . .
C21 C20 H20A 120.1 . .
C22 C21 C20 120.5(5) . .
C22 C21 H21A 119.7 . .
C20 C21 H21A 119.7 . .
C21 C22 C23 119.9(4) . .
C21 C22 H22A 120.1 . .
C23 C22 H22A 120.0 . .
C22 C23 C24 119.8(5) . .
C22 C23 H23A 120.1 . .
C24 C23 H23A 120.1 . .
C19 C24 C23 121.0(4) . .
C19 C24 H24A 119.5 . .
C23 C24 H24A 119.5 . .
C26 C25 C30 120.0 . .
C26 C25 H25 120.0 . .
C30 C25 H25 120.0 . .
C25 C26 C27 120.0 . .
C25 C26 H26 120.0 . .
C27 C26 H26 120.0 . .
C28 C27 C26 120.0 . .
C28 C27 H27 120.0 . .
C26 C27 H27 120.0 . .
C29 C28 C27 120.0 . .
C29 C28 H28 120.0 . .
C27 C28 H28 120.0 . .
C30 C29 C28 120.0 . .
C30 C29 H29 120.0 . .
C28 C29 H29 120.0 . .
C29 C30 C25 120.0 . .
C29 C30 C31 122.9(6) . .
C25 C30 C31 117.0(6) . .
O4 C31 C32 124.2(3) . .
O4 C31 C30 120.2(5) . .
C32 C31 C30 115.6(5) . .
O4 C31 C30' 112.1(5) . .
C32 C31 C30' 123.4(5) . .
C30 C31 C30' 9.0(7) . .
C26' C25' C30' 120.0 . .
C26' C25' H25' 120.0 . .
C30' C25' H25' 120.0 . .
C25' C26' C27' 120.0 . .
C25' C26' H26' 120.0 . .
C27' C26' H26' 120.0 . .
C26' C27' C28' 120.0 . .
C26' C27' H27' 120.0 . .
C28' C27' H27' 120.0 . .
C29' C28' C27' 120.0 . .
C29' C28' H28' 120.0 . .
C27' C28' H28' 120.0 . .
C28' C29' C30' 120.0 . .
C28' C29' H29' 120.0 . .
C30' C29' H29' 120.0 . .
C29' C30' C25' 120.0 . .
C29' C30' C31 120.3(6) . .
C25' C30' C31 119.6(6) . .
C31 C32 C33 124.6(3) . .
C31 C32 H32A 117.7 . .
C33 C32 H32A 117.7 . .
O5 C33 C32 123.9(4) . .
O5 C33 C34 118.6(4) . .
C32 C33 C34 116.8(4) . .
O5 C33 C34' 114.7(4) . .
C32 C33 C34' 120.8(4) . .
C34 C33 C34' 17.6(4) . .
C35 C34 C39 120.0 . .
C35 C34 C33 122.6(4) . .
C39 C34 C33 117.3(4) . .
C36 C35 C34 120.0 . .
C36 C35 H35A 120.0 . .
C34 C35 H35A 120.0 . .
C37 C36 C35 120.0 . .
C37 C36 H36A 120.0 . .
C35 C36 H36A 120.0 . .
C36 C37 C38 120.0 . .
C36 C37 H37A 120.0 . .
C38 C37 H37A 120.0 . .
C39 C38 C37 120.0 . .
C39 C38 H38A 120.0 . .
C37 C38 H38A 120.0 . .
C38 C39 C34 120.0 . .
C38 C39 H39A 120.0 . .
C34 C39 H39A 120.0 . .
C35' C34' C39' 120.0 . .
C35' C34' C33 116.8(4) . .
C39' C34' C33 123.2(4) . .
C34' C35' C36' 120.0 . .
C34' C35' H35B 120.0 . .
C36' C35' H35B 120.0 . .
C35' C36' C37' 120.0 . .
C35' C36' H36B 120.0 . .
C37' C36' H36B 120.0 . .
C36' C37' C38' 120.0 . .
C36' C37' H37B 120.0 . .
C38' C37' H37B 120.0 . .
C39' C38' C37' 120.0 . .
C39' C38' C38' 105.4(7) . 2_665
C37' C38' C38' 115.1(7) . 2_665
C39' C38' H38B 120.2 . .
C37' C38' H38B 119.8 . .
C38' C38' H38B 46.3 2_665 .
C38' C39' C34' 120.0 . .
C38' C39' H39B 120.3 . .
C34' C39' H39B 119.7 . .
O6 C40 H40A 109.5 . .
O6 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
O6 C40 H40C 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_distance
_geom_bond_site_symmetry_2
Dy1 O5 2.298(3) .
Dy1 O4 2.307(3) .
Dy1 O1 2.361(2) .
Dy1 O3 2.362(3) .
Dy1 O1 2.368(3) 2_666
Dy1 O2 2.376(3) .
Dy1 O6 2.430(3) .
Dy1 N1 2.510(3) .
Dy1 Dy1 3.908(2) 2_666
O1 C8 1.346(4) .
O1 Dy1 2.368(3) 2_666
O2 C16 1.289(5) .
O3 C18 1.256(5) .
O4 C31 1.273(5) .
O5 C33 1.265(5) .
O6 C40 1.410(5) .
O6 H6 0.9500 .
N1 C1 1.319(5) .
N1 C9 1.363(5) .
C1 C2 1.398(7) .
C1 H1A 0.9500 .
C2 C3 1.354(8) .
C2 H2A 0.9500 .
C3 C4 1.405(7) .
C3 H3A 0.9500 .
C4 C5 1.407(6) .
C4 C9 1.421(6) .
C5 C6 1.353(7) .
C5 H5A 0.9500 .
C6 C7 1.415(6) .
C6 H6A 0.9500 .
C7 C8 1.375(5) .
C7 H7A 0.9500 .
C8 C9 1.417(6) .
C10 C11 1.379(6) .
C10 C15 1.401(6) .
C10 H10A 0.9500 .
C11 C12 1.388(6) .
C11 H11A 0.9500 .
C12 C13 1.383(6) .
C12 H12A 0.9500 .
C13 C14 1.376(6) .
C13 H13A 0.9500 .
C14 C15 1.391(5) .
C14 H14A 0.9500 .
C15 C16 1.494(6) .
C16 C17 1.392(6) .
C17 C18 1.397(6) .
C17 H17A 0.9500 .
C18 C19 1.504(5) .
C19 C24 1.376(6) .
C19 C20 1.380(6) .
C20 C21 1.390(7) .
C20 H20A 0.9500 .
C21 C22 1.365(8) .
C21 H21A 0.9500 .
C22 C23 1.370(7) .
C22 H22A 0.9500 .
C23 C24 1.381(6) .
C23 H23A 0.9500 .
C24 H24A 0.9500 .
C25 C26 1.3900 .
C25 C30 1.3900 .
C25 H25 0.9500 .
C26 C27 1.3900 .
C26 H26 0.9500 .
C27 C28 1.3900 .
C27 H27 0.9500 .
C28 C29 1.3900 .
C28 H28 0.9500 .
C29 C30 1.3900 .
C29 H29 0.9500 .
C30 C31 1.497(6) .
C31 C32 1.390(6) .
C31 C30' 1.522(6) .
C25' C26' 1.3900 .
C25' C30' 1.3900 .
C25' H25' 0.9500 .
C26' C27' 1.3900 .
C26' H26' 0.9500 .
C27' C28' 1.3900 .
C27' H27' 0.9500 .
C28' C29' 1.3900 .
C28' H28' 0.9500 .
C29' C30' 1.3900 .
C29' H29' 0.9500 .
C32 C33 1.403(6) .
C32 H32A 0.9500 .
C33 C34 1.483(5) .
C33 C34' 1.545(5) .
C34 C35 1.3900 .
C34 C39 1.3900 .
C35 C36 1.3900 .
C35 H35A 0.9500 .
C36 C37 1.3900 .
C36 H36A 0.9500 .
C37 C38 1.3900 .
C37 H37A 0.9500 .
C38 C39 1.3900 .
C38 H38A 0.9500 .
C39 H39A 0.9500 .
C34' C35' 1.3900 .
C34' C39' 1.3900 .
C35' C36' 1.3900 .
C35' H35B 0.9500 .
C36' C37' 1.3900 .
C36' H36B 0.9500 .
C37' C38' 1.3900 .
C37' H37B 0.9500 .
C38' C39' 1.3900 .
C38' C38' 1.437(11) 2_665
C38' H38B 0.9536 .
C39' H39B 0.9552 .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
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
O6 H6 O2 0.95 1.89 2.678(4) 138.7 2_666
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
O5 Dy1 O1 C8 139.0(2) . .
O4 Dy1 O1 C8 -61.1(3) . .
O3 Dy1 O1 C8 31.5(3) . .
O1 Dy1 O1 C8 176.4(3) 2_666 .
O2 Dy1 O1 C8 92.3(3) . .
O6 Dy1 O1 C8 -109.3(3) . .
N1 Dy1 O1 C8 -24.0(2) . .
Dy1 Dy1 O1 C8 176.4(3) 2_666 .
O5 Dy1 O1 Dy1 -37.5(2) . 2_666
O4 Dy1 O1 Dy1 122.52(14) . 2_666
O3 Dy1 O1 Dy1 -144.89(11) . 2_666
O1 Dy1 O1 Dy1 0.002(2) 2_666 2_666
O2 Dy1 O1 Dy1 -84.11(12) . 2_666
O6 Dy1 O1 Dy1 74.31(12) . 2_666
N1 Dy1 O1 Dy1 159.61(15) . 2_666
O5 Dy1 O2 C16 57.5(3) . .
O4 Dy1 O2 C16 6.8(4) . .
O1 Dy1 O2 C16 -147.0(3) . .
O3 Dy1 O2 C16 -23.6(3) . .
O1 Dy1 O2 C16 142.8(3) 2_666 .
O6 Dy1 O2 C16 167.0(3) . .
N1 Dy1 O2 C16 -87.3(3) . .
Dy1 Dy1 O2 C16 177.6(3) 2_666 .
O5 Dy1 O3 C18 -49.8(3) . .
O4 Dy1 O3 C18 -126.2(3) . .
O1 Dy1 O3 C18 97.1(3) . .
O1 Dy1 O3 C18 7.6(4) 2_666 .
O2 Dy1 O3 C18 33.2(3) . .
O6 Dy1 O3 C18 -154.9(3) . .
N1 Dy1 O3 C18 149.6(3) . .
Dy1 Dy1 O3 C18 66.5(4) 2_666 .
O5 Dy1 O4 C31 -28.6(3) . .
O1 Dy1 O4 C31 163.0(3) . .
O3 Dy1 O4 C31 53.9(3) . .
O1 Dy1 O4 C31 -97.1(3) 2_666 .
O2 Dy1 O4 C31 24.0(4) . .
O6 Dy1 O4 C31 -145.6(4) . .
N1 Dy1 O4 C31 128.7(3) . .
Dy1 Dy1 O4 C31 -140.4(3) 2_666 .
O4 Dy1 O5 C33 18.6(4) . .
O1 Dy1 O5 C33 -174.9(3) . .
O3 Dy1 O5 C33 -56.7(4) . .
O1 Dy1 O5 C33 150.3(4) 2_666 .
O2 Dy1 O5 C33 -129.0(4) . .
O6 Dy1 O5 C33 81.2(4) . .
N1 Dy1 O5 C33 -23.1(5) . .
Dy1 Dy1 O5 C33 162.7(4) 2_666 .
O5 Dy1 O6 C40 -34.8(4) . .
O4 Dy1 O6 C40 29.7(4) . .
O1 Dy1 O6 C40 178.5(4) . .
O3 Dy1 O6 C40 58.7(4) . .
O1 Dy1 O6 C40 -111.6(4) 2_666 .
O2 Dy1 O6 C40 -136.5(4) . .
N1 Dy1 O6 C40 111.2(4) . .
Dy1 Dy1 O6 C40 -147.2(4) 2_666 .
O5 Dy1 N1 C1 21.4(5) . .
O4 Dy1 N1 C1 -19.1(4) . .
O1 Dy1 N1 C1 -175.4(4) . .
O3 Dy1 N1 C1 56.0(4) . .
O1 Dy1 N1 C1 -149.9(3) 2_666 .
O2 Dy1 N1 C1 118.6(4) . .
O6 Dy1 N1 C1 -90.8(4) . .
Dy1 Dy1 N1 C1 -163.9(4) 2_666 .
O5 Dy1 N1 C9 -142.3(2) . .
O4 Dy1 N1 C9 177.2(3) . .
O1 Dy1 N1 C9 21.0(2) . .
O3 Dy1 N1 C9 -107.7(3) . .
O1 Dy1 N1 C9 46.4(3) 2_666 .
O2 Dy1 N1 C9 -45.1(3) . .
O6 Dy1 N1 C9 105.5(3) . .
Dy1 Dy1 N1 C9 32.4(3) 2_666 .
C9 N1 C1 C2 -0.1(7) . .
Dy1 N1 C1 C2 -163.0(4) . .
N1 C1 C2 C3 2.1(8) . .
C1 C2 C3 C4 -1.2(8) . .
C2 C3 C4 C5 178.6(5) . .
C2 C3 C4 C9 -1.3(7) . .
C3 C4 C5 C6 179.5(4) . .
C9 C4 C5 C6 -0.7(6) . .
C4 C5 C6 C7 -0.4(7) . .
C5 C6 C7 C8 -0.9(7) . .
Dy1 O1 C8 C7 -154.1(3) . .
Dy1 O1 C8 C7 21.5(5) 2_666 .
Dy1 O1 C8 C9 25.4(4) . .
Dy1 O1 C8 C9 -159.0(2) 2_666 .
C6 C7 C8 O1 -177.3(4) . .
C6 C7 C8 C9 3.2(6) . .
C1 N1 C9 C8 177.7(4) . .
Dy1 N1 C9 C8 -17.0(4) . .
C1 N1 C9 C4 -2.7(6) . .
Dy1 N1 C9 C4 162.6(3) . .
O1 C8 C9 N1 -4.2(5) . .
C7 C8 C9 N1 175.3(4) . .
O1 C8 C9 C4 176.2(3) . .
C7 C8 C9 C4 -4.3(5) . .
C3 C4 C9 N1 3.4(6) . .
C5 C4 C9 N1 -176.5(4) . .
C3 C4 C9 C8 -177.0(4) . .
C5 C4 C9 C8 3.1(6) . .
C15 C10 C11 C12 3.0(6) . .
C10 C11 C12 C13 -2.1(7) . .
C11 C12 C13 C14 -0.1(7) . .
C12 C13 C14 C15 1.4(6) . .
C13 C14 C15 C10 -0.6(6) . .
C13 C14 C15 C16 178.5(4) . .
C11 C10 C15 C14 -1.6(6) . .
C11 C10 C15 C16 179.3(4) . .
Dy1 O2 C16 C17 12.9(6) . .
Dy1 O2 C16 C15 -163.9(2) . .
C14 C15 C16 O2 -131.3(4) . .
C10 C15 C16 O2 47.8(5) . .
C14 C15 C16 C17 51.7(5) . .
C10 C15 C16 C17 -129.3(4) . .
O2 C16 C17 C18 6.3(6) . .
C15 C16 C17 C18 -176.9(4) . .
Dy1 O3 C18 C17 -31.1(5) . .
Dy1 O3 C18 C19 149.2(3) . .
C16 C17 C18 O3 2.2(6) . .
C16 C17 C18 C19 -178.0(4) . .
O3 C18 C19 C24 15.4(5) . .
C17 C18 C19 C24 -164.3(4) . .
O3 C18 C19 C20 -161.4(4) . .
C17 C18 C19 C20 18.8(6) . .
C24 C19 C20 C21 1.1(8) . .
C18 C19 C20 C21 178.0(5) . .
C19 C20 C21 C22 0.9(10) . .
C20 C21 C22 C23 -2.0(10) . .
C21 C22 C23 C24 1.0(8) . .
C20 C19 C24 C23 -2.1(7) . .
C18 C19 C24 C23 -179.0(4) . .
C22 C23 C24 C19 1.0(7) . .
C30 C25 C26 C27 0.0 . .
C25 C26 C27 C28 0.0 . .
C26 C27 C28 C29 0.0 . .
C27 C28 C29 C30 0.0 . .
C28 C29 C30 C25 0.0 . .
C28 C29 C30 C31 -177.4(9) . .
C26 C25 C30 C29 0.0 . .
C26 C25 C30 C31 177.5(8) . .
Dy1 O4 C31 C32 28.2(6) . .
Dy1 O4 C31 C30 -152.6(5) . .
Dy1 O4 C31 C30' -157.1(5) . .
C29 C30 C31 O4 148.0(5) . .
C25 C30 C31 O4 -29.4(7) . .
C29 C30 C31 C32 -32.8(9) . .
C25 C30 C31 C32 149.8(4) . .
C29 C30 C31 C30' 176(5) . .
C25 C30 C31 C30' -2(5) . .
C30' C25' C26' C27' 0.0 . .
C25' C26' C27' C28' 0.0 . .
C26' C27' C28' C29' 0.0 . .
C27' C28' C29' C30' 0.0 . .
C28' C29' C30' C25' 0.0 . .
C28' C29' C30' C31 177.3(9) . .
C26' C25' C30' C29' 0.0 . .
C26' C25' C30' C31 -177.3(8) . .
O4 C31 C30' C29' 171.0(5) . .
C32 C31 C30' C29' -14.3(10) . .
C30 C31 C30' C29' 17(4) . .
O4 C31 C30' C25' -11.6(7) . .
C32 C31 C30' C25' 163.0(5) . .
C30 C31 C30' C25' -166(5) . .
O4 C31 C32 C33 -3.5(6) . .
C30 C31 C32 C33 177.3(5) . .
C30' C31 C32 C33 -177.5(6) . .
Dy1 O5 C33 C32 -7.6(6) . .
Dy1 O5 C33 C34 -177.5(4) . .
Dy1 O5 C33 C34' 163.3(3) . .
C31 C32 C33 O5 -7.0(7) . .
C31 C32 C33 C34 163.0(5) . .
C31 C32 C33 C34' -177.5(4) . .
O5 C33 C34 C35 -162.5(4) . .
C32 C33 C34 C35 26.9(6) . .
C34' C33 C34 C35 -81.0(14) . .
O5 C33 C34 C39 16.0(7) . .
C32 C33 C34 C39 -154.6(4) . .
C34' C33 C34 C39 97.5(15) . .
C39 C34 C35 C36 0.0 . .
C33 C34 C35 C36 178.5(7) . .
C34 C35 C36 C37 0.0 . .
C35 C36 C37 C38 0.0 . .
C36 C37 C38 C39 0.0 . .
C37 C38 C39 C34 0.0 . .
C35 C34 C39 C38 0.0 . .
C33 C34 C39 C38 -178.5(6) . .
O5 C33 C34' C35' 146.1(4) . .
C32 C33 C34' C35' -42.6(6) . .
C34 C33 C34' C35' 39.0(13) . .
O5 C33 C34' C39' -35.3(6) . .
C32 C33 C34' C39' 136.0(4) . .
C34 C33 C34' C39' -142.4(16) . .
C39' C34' C35' C36' 0.0 . .
C33 C34' C35' C36' 178.6(6) . .
C34' C35' C36' C37' 0.0 . .
C35' C36' C37' C38' 0.0 . .
C36' C37' C38' C39' 0.0 . .
C36' C37' C38' C38' -127.6(8) . 2_665
C37' C38' C39' C34' 0.0 . .
C38' C38' C39' C34' 131.9(8) 2_665 .
C35' C34' C39' C38' 0.0 . .
C33 C34' C39' C38' -178.6(6) . .
