#------------------------------------------------------------------------------
#$Date: 2016-08-07 12:25:20 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185540 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/89/7038940.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_7038940
loop_
_publ_author_name
'Wang, Wen-Min'
'Qiao, Wan-Zhen'
'Zhang, Hong-Xia'
'Wang, Shi-Yu'
'Nie, Yao-Yao'
'Chen, Hong-Man'
'Liu, Zhen'
'Gao, Hong-Ling'
'Cui, Jian-Zhong'
'Zhao, Bin'
_publ_section_title
;
 Structures and magnetic properties of several phenoxo-O bridged dinuclear
 lanthanide complexes: Dy derivatives displaying substituent dependent
 magnetic relaxation behavior.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8182
_journal_page_last               8191
_journal_paper_doi               10.1039/c6dt00220j
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C96 H74 Dy2 N4 O12'
_chemical_formula_weight         1800.59
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-09-07 deposited with the CCDC.
2016-04-04 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 101.43(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.472(2)
_cell_length_b                   17.083(3)
_cell_length_c                   20.359(4)
_cell_measurement_temperature    113(2)
_cell_volume                     3910.7(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  CCD
_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  0.0708
_diffrn_reflns_av_sigmaI/netI    0.0569
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            45533
_diffrn_reflns_theta_full        27.92
_diffrn_reflns_theta_max         27.92
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    1.965
_exptl_absorpt_correction_T_max  0.7984
_exptl_absorpt_correction_T_min  0.6947
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.529
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1812
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.192
_refine_diff_density_min         -1.509
_refine_diff_density_rms         0.132
_refine_ls_extinction_coef       0.00256(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     516
_refine_ls_number_reflns         9316
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0677
_refine_ls_R_factor_gt           0.0497
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0569P)²+1.1296P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1083
_refine_ls_wR_factor_ref         0.1182
_reflns_number_gt                7412
_reflns_number_total             9316
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt00220j2.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 

 Adding full bibliography for 7038938--7038946.cif.
;
_cod_original_cell_volume        3910.9(14)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7038940
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
Dy1 Dy 0.619189(17) 0.918760(11) 0.010026(10) 0.02491(9) Uani 1 1 d .
O1 O 0.5821(3) 1.05489(17) 0.02736(15) 0.0273(6) Uani 1 1 d .
O2 O 0.8550(3) 0.5324(2) -0.0652(2) 0.0470(9) Uani 1 1 d .
O3 O 0.6348(3) 0.93661(18) 0.12365(15) 0.0338(7) Uani 1 1 d .
O4 O 0.5546(3) 0.80653(17) 0.05642(15) 0.0283(6) Uani 1 1 d .
O5 O 0.6791(3) 0.98665(18) -0.07504(16) 0.0327(7) Uani 1 1 d .
O6 O 0.5997(3) 0.83777(17) -0.08227(15) 0.0305(7) Uani 1 1 d .
N1 N 0.8027(3) 0.9917(2) 0.05682(19) 0.0302(8) Uani 1 1 d .
N2 N 0.8235(3) 0.8388(2) 0.0251(2) 0.0322(8) Uani 1 1 d .
C1 C 0.7901(4) 1.0676(2) 0.0732(2) 0.0265(9) Uani 1 1 d .
C2 C 0.6721(4) 1.1003(2) 0.0570(2) 0.0264(9) Uani 1 1 d .
C3 C 0.6597(4) 1.1781(3) 0.0734(2) 0.0329(10) Uani 1 1 d .
H3 H 0.5840 1.2024 0.0613 0.039 Uiso 1 1 calc R
C4 C 0.7564(4) 1.2216(3) 0.1074(2) 0.0357(11) Uani 1 1 d .
H4 H 0.7433 1.2743 0.1190 0.043 Uiso 1 1 calc R
C5 C 0.8678(4) 1.1919(3) 0.1246(2) 0.0362(11) Uani 1 1 d .
H5 H 0.9313 1.2230 0.1480 0.043 Uiso 1 1 calc R
C6 C 0.8877(4) 1.1134(3) 0.1070(2) 0.0331(10) Uani 1 1 d .
C7 C 1.0001(5) 1.0767(3) 0.1192(3) 0.0461(14) Uani 1 1 d .
H7 H 1.0681 1.1050 0.1409 0.055 Uiso 1 1 calc R
C8 C 1.0123(4) 1.0018(3) 0.1006(3) 0.0476(14) Uani 1 1 d .
H8 H 1.0884 0.9777 0.1085 0.057 Uiso 1 1 calc R
C9 C 0.9109(4) 0.9601(3) 0.0693(3) 0.0356(11) Uani 1 1 d .
C10 C 0.9177(4) 0.8782(3) 0.0496(3) 0.0396(12) Uani 1 1 d .
H10 H 0.9933 0.8536 0.0551 0.048 Uiso 1 1 calc R
C11 C 0.8380(4) 0.7609(3) 0.0015(2) 0.0325(10) Uani 1 1 d .
C12 C 0.7511(4) 0.7055(3) 0.0065(2) 0.0348(10) Uani 1 1 d .
H12 H 0.6849 0.7198 0.0255 0.042 Uiso 1 1 calc R
C13 C 0.7608(5) 0.6301(3) -0.0161(2) 0.0381(11) Uani 1 1 d .
H13 H 0.7018 0.5925 -0.0117 0.046 Uiso 1 1 calc R
C14 C 0.8552(5) 0.6086(3) -0.0449(3) 0.0394(11) Uani 1 1 d .
C15 C 0.9422(5) 0.6637(3) -0.0509(3) 0.0445(13) Uani 1 1 d .
H15 H 1.0074 0.6497 -0.0709 0.053 Uiso 1 1 calc R
C16 C 0.9324(5) 0.7395(3) -0.0273(3) 0.0434(12) Uani 1 1 d .
H16 H 0.9917 0.7770 -0.0311 0.052 Uiso 1 1 calc R
C17 C 0.9555(5) 0.5043(3) -0.0909(3) 0.0505(14) Uani 1 1 d .
H17A H 1.0294 0.5098 -0.0567 0.061 Uiso 1 1 calc R
H17B H 0.9643 0.5344 -0.1312 0.061 Uiso 1 1 calc R
C18 C 0.9313(6) 0.4187(3) -0.1085(3) 0.0582(16) Uani 1 1 d .
H18A H 0.9161 0.3906 -0.0691 0.087 Uiso 1 1 calc R
H18B H 1.0006 0.3958 -0.1227 0.087 Uiso 1 1 calc R
H18C H 0.8617 0.4145 -0.1450 0.087 Uiso 1 1 calc R
C19 C 0.6960(5) 1.0199(3) 0.2381(3) 0.0434(12) Uani 1 1 d .
H19 H 0.6901 1.0454 0.1961 0.052 Uiso 1 1 calc R
C20 C 0.7416(5) 1.0601(4) 0.2971(3) 0.0538(15) Uani 1 1 d .
H20 H 0.7672 1.1128 0.2953 0.065 Uiso 1 1 calc R
C21 C 0.7495(6) 1.0237(4) 0.3573(3) 0.0568(16) Uani 1 1 d .
H21 H 0.7809 1.0514 0.3974 0.068 Uiso 1 1 calc R
C22 C 0.7133(6) 0.9487(4) 0.3608(3) 0.0544(15) Uani 1 1 d .
H22 H 0.7201 0.9240 0.4032 0.065 Uiso 1 1 calc R
C23 C 0.6659(5) 0.9076(3) 0.3024(3) 0.0440(13) Uani 1 1 d .
H23 H 0.6383 0.8554 0.3051 0.053 Uiso 1 1 calc R
C24 C 0.6591(4) 0.9431(3) 0.2404(2) 0.0315(10) Uani 1 1 d .
C25 C 0.6214(4) 0.8997(3) 0.1755(2) 0.0280(9) Uani 1 1 d .
C26 C 0.5770(4) 0.8234(3) 0.1733(2) 0.0322(10) Uani 1 1 d .
H26 H 0.5678 0.7995 0.2141 0.039 Uiso 1 1 calc R
C27 C 0.5454(4) 0.7805(3) 0.1138(2) 0.0301(9) Uani 1 1 d .
C28 C 0.4960(4) 0.6992(3) 0.1159(2) 0.0323(10) Uani 1 1 d .
C29 C 0.4879(5) 0.6606(3) 0.1754(3) 0.0486(14) Uani 1 1 d .
H29 H 0.5151 0.6863 0.2170 0.058 Uiso 1 1 calc R
C30 C 0.4414(6) 0.5859(3) 0.1751(3) 0.0558(16) Uani 1 1 d .
H30 H 0.4361 0.5608 0.2161 0.067 Uiso 1 1 calc R
C31 C 0.4026(6) 0.5482(3) 0.1148(3) 0.0589(17) Uani 1 1 d .
H31 H 0.3708 0.4968 0.1142 0.071 Uiso 1 1 calc R
C32 C 0.4099(6) 0.5847(3) 0.0559(3) 0.065(2) Uani 1 1 d .
H32 H 0.3829 0.5585 0.0146 0.079 Uiso 1 1 calc R
C33 C 0.4563(5) 0.6594(3) 0.0563(3) 0.0513(15) Uani 1 1 d .
H33 H 0.4611 0.6838 0.0151 0.062 Uiso 1 1 calc R
C34 C 0.7130(4) 1.1244(3) -0.1343(3) 0.0385(11) Uani 1 1 d .
H34 H 0.7058 1.1238 -0.0886 0.046 Uiso 1 1 calc R
C35 C 0.7444(5) 1.1936(3) -0.1629(3) 0.0452(13) Uani 1 1 d .
H35 H 0.7608 1.2395 -0.1364 0.054 Uiso 1 1 calc R
C36 C 0.7514(5) 1.1948(4) -0.2298(3) 0.0553(16) Uani 1 1 d .
H36 H 0.7707 1.2422 -0.2496 0.066 Uiso 1 1 calc R
C37 C 0.7308(6) 1.1288(4) -0.2678(3) 0.0605(17) Uani 1 1 d .
H37 H 0.7365 1.1303 -0.3137 0.073 Uiso 1 1 calc R
C38 C 0.7011(5) 1.0582(3) -0.2394(3) 0.0485(14) Uani 1 1 d .
H38 H 0.6872 1.0121 -0.2658 0.058 Uiso 1 1 calc R
C39 C 0.6923(4) 1.0566(3) -0.1720(2) 0.0320(10) Uani 1 1 d .
C40 C 0.6601(4) 0.9835(3) -0.1385(2) 0.0296(9) Uani 1 1 d .
C41 C 0.6126(4) 0.9178(3) -0.1754(2) 0.0331(10) Uani 1 1 d .
H41 H 0.6003 0.9202 -0.2229 0.040 Uiso 1 1 calc R
C42 C 0.5821(4) 0.8486(3) -0.1455(2) 0.0301(9) Uani 1 1 d .
C43 C 0.5251(4) 0.7824(3) -0.1888(2) 0.0311(10) Uani 1 1 d .
C44 C 0.4717(5) 0.7930(3) -0.2553(2) 0.0403(12) Uani 1 1 d .
H44 H 0.4717 0.8436 -0.2748 0.048 Uiso 1 1 calc R
C45 C 0.4180(5) 0.7308(3) -0.2941(3) 0.0467(13) Uani 1 1 d .
H45 H 0.3801 0.7392 -0.3394 0.056 Uiso 1 1 calc R
C46 C 0.4202(5) 0.6570(3) -0.2664(3) 0.0469(13) Uani 1 1 d .
H46 H 0.3861 0.6139 -0.2930 0.056 Uiso 1 1 calc R
C47 C 0.4722(5) 0.6460(3) -0.1998(3) 0.0414(12) Uani 1 1 d .
H47 H 0.4716 0.5955 -0.1804 0.050 Uiso 1 1 calc R
C48 C 0.5249(4) 0.7077(3) -0.1611(2) 0.0367(11) Uani 1 1 d .
H48 H 0.5611 0.6993 -0.1155 0.044 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 O3 135.53(11) . .
O5 Dy1 O6 71.61(11) . .
O3 Dy1 O6 150.70(11) . .
O5 Dy1 O4 152.83(11) . .
O3 Dy1 O4 70.65(11) . .
O6 Dy1 O4 81.32(11) . .
O5 Dy1 O1 94.68(11) . 3_675
O3 Dy1 O1 100.22(12) . 3_675
O6 Dy1 O1 85.40(11) . 3_675
O4 Dy1 O1 85.22(11) . 3_675
O5 Dy1 O1 73.17(11) . .
O3 Dy1 O1 72.87(11) . .
O6 Dy1 O1 135.09(10) . .
O4 Dy1 O1 131.24(11) . .
O1 Dy1 O1 70.61(11) 3_675 .
O5 Dy1 N1 71.13(12) . .
O3 Dy1 N1 69.82(12) . .
O6 Dy1 N1 123.67(12) . .
O4 Dy1 N1 125.18(11) . .
O1 Dy1 N1 138.00(11) 3_675 .
O1 Dy1 N1 67.47(11) . .
O5 Dy1 N2 87.57(12) . .
O3 Dy1 N2 93.46(12) . .
O6 Dy1 N2 74.28(12) . .
O4 Dy1 N2 82.84(11) . .
O1 Dy1 N2 157.73(11) 3_675 .
O1 Dy1 N2 130.78(11) . .
N1 Dy1 N2 63.46(12) . .
O5 Dy1 Dy1 82.48(8) . 3_675
O3 Dy1 Dy1 85.62(9) . 3_675
O6 Dy1 Dy1 113.10(8) . 3_675
O4 Dy1 Dy1 111.10(8) . 3_675
O1 Dy1 Dy1 35.94(7) 3_675 3_675
O1 Dy1 Dy1 34.66(7) . 3_675
N1 Dy1 Dy1 102.10(9) . 3_675
N2 Dy1 Dy1 164.67(8) . 3_675
C2 O1 Dy1 131.5(3) . 3_675
C2 O1 Dy1 119.0(3) . .
Dy1 O1 Dy1 109.39(11) 3_675 .
C14 O2 C17 118.3(4) . .
C25 O3 Dy1 140.7(3) . .
C27 O4 Dy1 138.8(3) . .
C40 O5 Dy1 136.8(3) . .
C42 O6 Dy1 134.8(3) . .
C9 N1 C1 118.9(4) . .
C9 N1 Dy1 124.0(3) . .
C1 N1 Dy1 117.0(3) . .
C10 N2 C11 118.1(4) . .
C10 N2 Dy1 115.3(3) . .
C11 N2 Dy1 126.2(3) . .
N1 C1 C6 122.2(4) . .
N1 C1 C2 117.1(4) . .
C6 C1 C2 120.6(4) . .
O1 C2 C3 124.0(4) . .
O1 C2 C1 119.0(4) . .
C3 C2 C1 117.0(4) . .
C2 C3 C4 121.3(4) . .
C2 C3 H3 119.3 . .
C4 C3 H3 119.3 . .
C5 C4 C3 122.8(4) . .
C5 C4 H4 118.6 . .
C3 C4 H4 118.6 . .
C4 C5 C6 118.8(4) . .
C4 C5 H5 120.6 . .
C6 C5 H5 120.6 . .
C7 C6 C5 124.3(4) . .
C7 C6 C1 116.3(4) . .
C5 C6 C1 119.3(4) . .
C8 C7 C6 121.0(5) . .
C8 C7 H7 119.5 . .
C6 C7 H7 119.5 . .
C7 C8 C9 119.0(5) . .
C7 C8 H8 120.5 . .
C9 C8 H8 120.5 . .
N1 C9 C8 122.5(4) . .
N1 C9 C10 115.8(4) . .
C8 C9 C10 121.7(4) . .
N2 C10 C9 121.3(4) . .
N2 C10 H10 119.3 . .
C9 C10 H10 119.3 . .
C16 C11 C12 119.0(4) . .
C16 C11 N2 122.7(4) . .
C12 C11 N2 118.2(4) . .
C13 C12 C11 120.2(5) . .
C13 C12 H12 119.9 . .
C11 C12 H12 119.9 . .
C12 C13 C14 120.9(5) . .
C12 C13 H13 119.6 . .
C14 C13 H13 119.6 . .
O2 C14 C13 115.4(5) . .
O2 C14 C15 125.1(5) . .
C13 C14 C15 119.5(5) . .
C16 C15 C14 119.3(5) . .
C16 C15 H15 120.4 . .
C14 C15 H15 120.4 . .
C11 C16 C15 121.1(5) . .
C11 C16 H16 119.4 . .
C15 C16 H16 119.4 . .
O2 C17 C18 106.6(5) . .
O2 C17 H17A 110.4 . .
C18 C17 H17A 110.4 . .
O2 C17 H17B 110.4 . .
C18 C17 H17B 110.4 . .
H17A C17 H17B 108.6 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C24 C19 C20 120.4(5) . .
C24 C19 H19 119.8 . .
C20 C19 H19 119.8 . .
C21 C20 C19 119.9(6) . .
C21 C20 H20 120.1 . .
C19 C20 H20 120.1 . .
C22 C21 C20 120.8(5) . .
C22 C21 H21 119.6 . .
C20 C21 H21 119.6 . .
C21 C22 C23 120.3(6) . .
C21 C22 H22 119.8 . .
C23 C22 H22 119.8 . .
C24 C23 C22 119.8(5) . .
C24 C23 H23 120.1 . .
C22 C23 H23 120.1 . .
C19 C24 C23 118.8(5) . .
C19 C24 C25 118.5(4) . .
C23 C24 C25 122.6(4) . .
O3 C25 C26 122.9(4) . .
O3 C25 C24 115.2(4) . .
C26 C25 C24 121.9(4) . .
C25 C26 C27 123.1(4) . .
C25 C26 H26 118.5 . .
C27 C26 H26 118.5 . .
O4 C27 C26 123.8(4) . .
O4 C27 C28 116.7(4) . .
C26 C27 C28 119.5(4) . .
C33 C28 C29 117.3(5) . .
C33 C28 C27 119.3(4) . .
C29 C28 C27 123.4(5) . .
C30 C29 C28 121.6(6) . .
C30 C29 H29 119.2 . .
C28 C29 H29 119.2 . .
C31 C30 C29 119.4(6) . .
C31 C30 H30 120.3 . .
C29 C30 H30 120.3 . .
C32 C31 C30 120.1(5) . .
C32 C31 H31 119.9 . .
C30 C31 H31 119.9 . .
C31 C32 C33 120.4(6) . .
C31 C32 H32 119.8 . .
C33 C32 H32 119.8 . .
C32 C33 C28 121.2(6) . .
C32 C33 H33 119.4 . .
C28 C33 H33 119.4 . .
C39 C34 C35 120.5(5) . .
C39 C34 H34 119.7 . .
C35 C34 H34 119.7 . .
C36 C35 C34 119.7(5) . .
C36 C35 H35 120.2 . .
C34 C35 H35 120.2 . .
C37 C36 C35 120.7(5) . .
C37 C36 H36 119.7 . .
C35 C36 H36 119.7 . .
C36 C37 C38 120.3(6) . .
C36 C37 H37 119.9 . .
C38 C37 H37 119.9 . .
C39 C38 C37 119.5(5) . .
C39 C38 H38 120.2 . .
C37 C38 H38 120.2 . .
C34 C39 C38 119.4(5) . .
C34 C39 C40 118.2(4) . .
C38 C39 C40 122.4(5) . .
O5 C40 C41 123.4(4) . .
O5 C40 C39 114.8(4) . .
C41 C40 C39 121.8(4) . .
C40 C41 C42 123.1(4) . .
C40 C41 H41 118.4 . .
C42 C41 H41 118.4 . .
O6 C42 C41 123.7(4) . .
O6 C42 C43 116.4(4) . .
C41 C42 C43 119.8(4) . .
C44 C43 C48 118.7(4) . .
C44 C43 C42 122.1(4) . .
C48 C43 C42 119.2(4) . .
C43 C44 C45 121.0(5) . .
C43 C44 H44 119.5 . .
C45 C44 H44 119.5 . .
C46 C45 C44 119.8(5) . .
C46 C45 H45 120.1 . .
C44 C45 H45 120.1 . .
C45 C46 C47 119.6(5) . .
C45 C46 H46 120.2 . .
C47 C46 H46 120.2 . .
C48 C47 C46 120.7(5) . .
C48 C47 H47 119.6 . .
C46 C47 H47 119.6 . .
C47 C48 C43 120.2(5) . .
C47 C48 H48 119.9 . .
C43 C48 H48 119.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O5 2.300(3) .
Dy1 O3 2.305(3) .
Dy1 O6 2.308(3) .
Dy1 O4 2.323(3) .
Dy1 O1 2.328(3) 3_675
Dy1 O1 2.403(3) .
Dy1 N1 2.470(4) .
Dy1 N2 2.677(4) .
Dy1 Dy1 3.8610(7) 3_675
O1 C2 1.336(5) .
O1 Dy1 2.328(3) 3_675
O2 C14 1.365(6) .
O2 C17 1.439(6) .
O3 C25 1.265(5) .
O4 C27 1.274(5) .
O5 C40 1.268(5) .
O6 C42 1.277(5) .
N1 C9 1.331(6) .
N1 C1 1.353(5) .
N2 C10 1.287(6) .
N2 C11 1.436(6) .
C1 C6 1.427(6) .
C1 C2 1.441(6) .
C2 C3 1.384(6) .
C3 C4 1.400(6) .
C3 H3 0.9500 .
C4 C5 1.356(7) .
C4 H4 0.9500 .
C5 C6 1.417(7) .
C5 H5 0.9500 .
C6 C7 1.411(7) .
C7 C8 1.350(7) .
C7 H7 0.9500 .
C8 C9 1.406(6) .
C8 H8 0.9500 .
C9 C10 1.461(7) .
C10 H10 0.9500 .
C11 C16 1.379(7) .
C11 C12 1.392(6) .
C12 C13 1.380(7) .
C12 H12 0.9500 .
C13 C14 1.380(7) .
C13 H13 0.9500 .
C14 C15 1.394(7) .
C15 C16 1.393(7) .
C15 H15 0.9500 .
C16 H16 0.9500 .
C17 C18 1.517(7) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 C24 1.382(7) .
C19 C20 1.392(7) .
C19 H19 0.9500 .
C20 C21 1.361(9) .
C20 H20 0.9500 .
C21 C22 1.353(9) .
C21 H21 0.9500 .
C22 C23 1.396(7) .
C22 H22 0.9500 .
C23 C24 1.389(7) .
C23 H23 0.9500 .
C24 C25 1.501(6) .
C25 C26 1.397(6) .
C26 C27 1.401(6) .
C26 H26 0.9500 .
C27 C28 1.503(6) .
C28 C33 1.386(7) .
C28 C29 1.398(7) .
C29 C30 1.383(7) .
C29 H29 0.9500 .
C30 C31 1.381(9) .
C30 H30 0.9500 .
C31 C32 1.368(9) .
C31 H31 0.9500 .
C32 C33 1.382(7) .
C32 H32 0.9500 .
C33 H33 0.9500 .
C34 C39 1.384(7) .
C34 C35 1.395(7) .
C34 H34 0.9500 .
C35 C36 1.381(8) .
C35 H35 0.9500 .
C36 C37 1.362(9) .
C36 H36 0.9500 .
C37 C38 1.408(7) .
C37 H37 0.9500 .
C38 C39 1.394(7) .
C38 H38 0.9500 .
C39 C40 1.503(6) .
C40 C41 1.400(6) .
C41 C42 1.405(6) .
C41 H41 0.9500 .
C42 C43 1.501(6) .
C43 C44 1.384(7) .
C43 C48 1.394(6) .
C44 C45 1.393(7) .
C44 H44 0.9500 .
C45 C46 1.379(8) .
C45 H45 0.9500 .
C46 C47 1.383(8) .
C46 H46 0.9500 .
C47 C48 1.382(6) .
C47 H47 0.9500 .
C48 H48 0.9500 .
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 C2 -81.0(3) . .
O3 Dy1 O1 C2 69.9(3) . .
O6 Dy1 O1 C2 -120.6(3) . .
O4 Dy1 O1 C2 112.9(3) . .
O1 Dy1 O1 C2 177.7(4) 3_675 .
N1 Dy1 O1 C2 -4.9(3) . .
N2 Dy1 O1 C2 -9.6(3) . .
Dy1 Dy1 O1 C2 177.7(4) 3_675 .
O5 Dy1 O1 Dy1 101.36(14) . 3_675
O3 Dy1 O1 Dy1 -107.78(15) . 3_675
O6 Dy1 O1 Dy1 61.73(19) . 3_675
O4 Dy1 O1 Dy1 -64.78(17) . 3_675
O1 Dy1 O1 Dy1 0.0 3_675 3_675
N1 Dy1 O1 Dy1 177.45(17) . 3_675
N2 Dy1 O1 Dy1 172.74(12) . 3_675
O5 Dy1 O3 C25 -166.5(4) . .
O6 Dy1 O3 C25 -13.0(6) . .
O4 Dy1 O3 C25 4.7(5) . .
O1 Dy1 O3 C25 85.9(5) 3_675 .
O1 Dy1 O3 C25 151.8(5) . .
N1 Dy1 O3 C25 -136.5(5) . .
N2 Dy1 O3 C25 -76.5(5) . .
Dy1 Dy1 O3 C25 118.9(5) 3_675 .
O5 Dy1 O4 C27 163.8(4) . .
O3 Dy1 O4 C27 -2.7(4) . .
O6 Dy1 O4 C27 168.7(4) . .
O1 Dy1 O4 C27 -105.3(4) 3_675 .
O1 Dy1 O4 C27 -46.4(5) . .
N1 Dy1 O4 C27 43.3(5) . .
N2 Dy1 O4 C27 93.6(4) . .
Dy1 Dy1 O4 C27 -79.8(4) 3_675 .
O3 Dy1 O5 C40 -169.5(4) . .
O6 Dy1 O5 C40 23.8(4) . .
O4 Dy1 O5 C40 28.9(6) . .
O1 Dy1 O5 C40 -59.7(4) 3_675 .
O1 Dy1 O5 C40 -127.8(4) . .
N1 Dy1 O5 C40 160.8(4) . .
N2 Dy1 O5 C40 98.1(4) . .
Dy1 Dy1 O5 C40 -93.6(4) 3_675 .
O5 Dy1 O6 C42 -27.1(4) . .
O3 Dy1 O6 C42 172.1(4) . .
O4 Dy1 O6 C42 155.2(4) . .
O1 Dy1 O6 C42 69.4(4) 3_675 .
O1 Dy1 O6 C42 12.9(5) . .
N1 Dy1 O6 C42 -78.0(4) . .
N2 Dy1 O6 C42 -119.8(4) . .
Dy1 Dy1 O6 C42 45.9(4) 3_675 .
O5 Dy1 N1 C9 -99.0(4) . .
O3 Dy1 N1 C9 102.7(4) . .
O6 Dy1 N1 C9 -47.9(4) . .
O4 Dy1 N1 C9 56.4(4) . .
O1 Dy1 N1 C9 -174.5(3) 3_675 .
O1 Dy1 N1 C9 -178.1(4) . .
N2 Dy1 N1 C9 -2.1(4) . .
Dy1 Dy1 N1 C9 -176.6(4) 3_675 .
O5 Dy1 N1 C1 84.0(3) . .
O3 Dy1 N1 C1 -74.2(3) . .
O6 Dy1 N1 C1 135.1(3) . .
O4 Dy1 N1 C1 -120.5(3) . .
O1 Dy1 N1 C1 8.5(4) 3_675 .
O1 Dy1 N1 C1 5.0(3) . .
N2 Dy1 N1 C1 -179.0(3) . .
Dy1 Dy1 N1 C1 6.4(3) 3_675 .
O5 Dy1 N2 C10 70.2(4) . .
O3 Dy1 N2 C10 -65.3(4) . .
O6 Dy1 N2 C10 141.7(4) . .
O4 Dy1 N2 C10 -135.3(4) . .
O1 Dy1 N2 C10 166.6(3) 3_675 .
O1 Dy1 N2 C10 4.9(4) . .
N1 Dy1 N2 C10 0.1(3) . .
Dy1 Dy1 N2 C10 20.7(6) 3_675 .
O5 Dy1 N2 C11 -102.1(4) . .
O3 Dy1 N2 C11 122.4(3) . .
O6 Dy1 N2 C11 -30.5(3) . .
O4 Dy1 N2 C11 52.4(3) . .
O1 Dy1 N2 C11 -5.7(5) 3_675 .
O1 Dy1 N2 C11 -167.3(3) . .
N1 Dy1 N2 C11 -172.2(4) . .
Dy1 Dy1 N2 C11 -151.5(3) 3_675 .
C9 N1 C1 C6 -3.8(7) . .
Dy1 N1 C1 C6 173.3(3) . .
C9 N1 C1 C2 178.1(4) . .
Dy1 N1 C1 C2 -4.8(5) . .
Dy1 O1 C2 C3 1.4(6) 3_675 .
Dy1 O1 C2 C3 -175.7(3) . .
Dy1 O1 C2 C1 -178.4(3) 3_675 .
Dy1 O1 C2 C1 4.5(5) . .
N1 C1 C2 O1 0.3(6) . .
C6 C1 C2 O1 -177.8(4) . .
N1 C1 C2 C3 -179.5(4) . .
C6 C1 C2 C3 2.4(6) . .
O1 C2 C3 C4 176.8(4) . .
C1 C2 C3 C4 -3.3(7) . .
C2 C3 C4 C5 2.0(8) . .
C3 C4 C5 C6 0.4(8) . .
C4 C5 C6 C7 177.0(5) . .
C4 C5 C6 C1 -1.4(7) . .
N1 C1 C6 C7 3.4(7) . .
C2 C1 C6 C7 -178.6(5) . .
N1 C1 C6 C5 -178.1(4) . .
C2 C1 C6 C5 -0.1(7) . .
C5 C6 C7 C8 -179.5(6) . .
C1 C6 C7 C8 -1.0(8) . .
C6 C7 C8 C9 -0.8(9) . .
C1 N1 C9 C8 1.8(7) . .
Dy1 N1 C9 C8 -175.1(4) . .
C1 N1 C9 C10 -179.4(4) . .
Dy1 N1 C9 C10 3.6(6) . .
C7 C8 C9 N1 0.4(9) . .
C7 C8 C9 C10 -178.2(6) . .
C11 N2 C10 C9 174.6(4) . .
Dy1 N2 C10 C9 1.7(6) . .
N1 C9 C10 N2 -3.5(8) . .
C8 C9 C10 N2 175.3(5) . .
C10 N2 C11 C16 -33.2(7) . .
Dy1 N2 C11 C16 138.8(4) . .
C10 N2 C11 C12 148.4(5) . .
Dy1 N2 C11 C12 -39.5(6) . .
C16 C11 C12 C13 1.1(7) . .
N2 C11 C12 C13 179.5(4) . .
C11 C12 C13 C14 -1.1(7) . .
C17 O2 C14 C13 -175.2(5) . .
C17 O2 C14 C15 4.4(8) . .
C12 C13 C14 O2 180.0(4) . .
C12 C13 C14 C15 0.4(8) . .
O2 C14 C15 C16 -179.2(5) . .
C13 C14 C15 C16 0.3(8) . .
C12 C11 C16 C15 -0.3(8) . .
N2 C11 C16 C15 -178.6(5) . .
C14 C15 C16 C11 -0.4(8) . .
C14 O2 C17 C18 179.4(5) . .
C24 C19 C20 C21 -0.3(9) . .
C19 C20 C21 C22 -0.1(10) . .
C20 C21 C22 C23 -0.6(10) . .
C21 C22 C23 C24 1.9(9) . .
C20 C19 C24 C23 1.5(8) . .
C20 C19 C24 C25 -174.3(5) . .
C22 C23 C24 C19 -2.3(8) . .
C22 C23 C24 C25 173.3(5) . .
Dy1 O3 C25 C26 -5.0(8) . .
Dy1 O3 C25 C24 173.8(3) . .
C19 C24 C25 O3 4.7(6) . .
C23 C24 C25 O3 -170.9(5) . .
C19 C24 C25 C26 -176.5(5) . .
C23 C24 C25 C26 7.9(7) . .
O3 C25 C26 C27 1.2(7) . .
C24 C25 C26 C27 -177.5(4) . .
Dy1 O4 C27 C26 1.4(7) . .
Dy1 O4 C27 C28 -179.4(3) . .
C25 C26 C27 O4 0.4(7) . .
C25 C26 C27 C28 -178.8(4) . .
O4 C27 C28 C33 -4.2(6) . .
C26 C27 C28 C33 175.1(5) . .
O4 C27 C28 C29 175.6(5) . .
C26 C27 C28 C29 -5.2(7) . .
C33 C28 C29 C30 -0.5(8) . .
C27 C28 C29 C30 179.7(5) . .
C28 C29 C30 C31 0.5(10) . .
C29 C30 C31 C32 -0.3(10) . .
C30 C31 C32 C33 0.2(11) . .
C31 C32 C33 C28 -0.3(11) . .
C29 C28 C33 C32 0.5(9) . .
C27 C28 C33 C32 -179.8(6) . .
C39 C34 C35 C36 1.9(8) . .
C34 C35 C36 C37 -1.6(9) . .
C35 C36 C37 C38 0.5(10) . .
C36 C37 C38 C39 0.4(10) . .
C35 C34 C39 C38 -1.1(7) . .
C35 C34 C39 C40 179.3(4) . .
C37 C38 C39 C34 -0.1(8) . .
C37 C38 C39 C40 179.5(5) . .
Dy1 O5 C40 C41 -17.5(7) . .
Dy1 O5 C40 C39 162.3(3) . .
C34 C39 C40 O5 -14.2(6) . .
C38 C39 C40 O5 166.2(5) . .
C34 C39 C40 C41 165.6(4) . .
C38 C39 C40 C41 -14.0(7) . .
O5 C40 C41 C42 -0.5(7) . .
C39 C40 C41 C42 179.7(4) . .
Dy1 O6 C42 C41 24.7(7) . .
Dy1 O6 C42 C43 -155.0(3) . .
C40 C41 C42 O6 -3.2(7) . .
C40 C41 C42 C43 176.5(4) . .
O6 C42 C43 C44 161.8(4) . .
C41 C42 C43 C44 -17.9(7) . .
O6 C42 C43 C48 -17.7(6) . .
C41 C42 C43 C48 162.5(5) . .
C48 C43 C44 C45 0.4(8) . .
C42 C43 C44 C45 -179.2(5) . .
C43 C44 C45 C46 -1.5(8) . .
C44 C45 C46 C47 2.2(8) . .
C45 C46 C47 C48 -1.8(8) . .
C46 C47 C48 C43 0.7(8) . .
C44 C43 C48 C47 0.0(7) . .
C42 C43 C48 C47 179.5(4) . .
