#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/89/7008936.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_7008936
loop_
_publ_author_name
'Drew, Michael G. B.'
'Iveson, Peter B.'
'Hudson, Michael J.'
'Liljenzin, Jan Olov'
'Spjuth, Lena'
'Cordier, Pierre-Yves'
'Enarsson, Åsa'
'Hill, Clément'
'Madic, Charles'
_publ_section_title
;
 Separation of americium(III) from europium(III) with tridentate
 heterocyclic nitrogen ligands and crystallographic studies of
 complexes formed by 2,2'∶6',2″-terpyridine with the
 lanthanides
;
_journal_issue                   5
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              821
_journal_paper_doi               10.1039/a907077j
_journal_year                    2000
_chemical_formula_sum            'C45 H33 Dy2 N15 O18'
_chemical_formula_weight         1396.86
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.062(10)
_cell_angle_beta                 106.144(10)
_cell_angle_gamma                95.838(10)
_cell_formula_units_Z            2
_cell_length_a                   10.452(13)
_cell_length_b                   15.531(17)
_cell_length_c                   16.107(19)
_cell_measurement_reflns_used    all
_cell_measurement_temperature    298(2)
_cell_volume                     2431(5)
_computing_cell_refinement       XDS
_computing_data_collection       'XDS (Kabsch, 1991)'
_computing_data_reduction        XDS
_computing_molecular_graphics    PLATON(Spek,1994)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measurement_device       'Marresearch Image Plate'
_diffrn_measurement_method
'95 frames at 2^o intervals, counting time 2 min.'
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0584
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            8252
_diffrn_reflns_theta_max         25.91
_diffrn_reflns_theta_min         2.12
_diffrn_standards_number         n/a
_exptl_absorpt_coefficient_mu    3.144
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.45
_exptl_absorpt_correction_type   'DIFABS(Walker and Stuart, 1983) '
_exptl_crystal_density_diffrn    1.908
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1368
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         2.767
_refine_diff_density_min         -1.650
_refine_diff_density_rms         0.190
_refine_ls_extinction_coef       0.0000(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     722
_refine_ls_number_reflns         8252
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.1214
_refine_ls_R_factor_gt           0.0700
_refine_ls_shift/su_max          0.342
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1683P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2000
_refine_ls_wR_factor_ref         0.2306
_reflns_number_gt                5291
_reflns_number_total             8252
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            a907077j.txt
_cod_data_source_block           2-Dy
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1683P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.1683P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C45 H33 Dy2 N15 O18      '
_cod_database_code               7008936
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.30268(6) 0.01143(4) 0.20652(4) 0.0413(2) Uani 1 d . . .
N11 N 0.2417(11) -0.1599(6) 0.1543(7) 0.049(3) Uani 1 d . . .
C12 C 0.2168(16) -0.2094(9) 0.2095(10) 0.060(4) Uani 1 d . . .
H12 H 0.2322 -0.1818 0.2688 0.072 Uiso 1 calc R . .
C13 C 0.1693(18) -0.2992(13) 0.1818(13) 0.082(5) Uani 1 d . . .
H13 H 0.1515 -0.3317 0.2213 0.098 Uiso 1 calc R . .
C14 C 0.1482(19) -0.3407(11) 0.0928(12) 0.077(5) Uani 1 d . . .
H14 H 0.1184 -0.4016 0.0721 0.092 Uiso 1 calc R . .
C15 C 0.1724(15) -0.2900(9) 0.0378(11) 0.061(4) Uani 1 d . . .
H15 H 0.1572 -0.3163 -0.0218 0.074 Uiso 1 calc R . .
C16 C 0.2198(12) -0.1987(8) 0.0688(8) 0.045(3) Uani 1 d . . .
N21 N 0.2958(10) -0.0555(7) 0.0491(6) 0.044(2) Uani 1 d . . .
C22 C 0.2405(12) -0.1402(8) 0.0090(9) 0.043(3) Uani 1 d . . .
C23 C 0.2037(14) -0.1694(9) -0.0829(9) 0.055(3) Uani 1 d . . .
H23 H 0.1615 -0.2277 -0.1095 0.066 Uiso 1 calc R . .
C24 C 0.2282(15) -0.1143(10) -0.1336(9) 0.058(4) Uani 1 d . . .
H24 H 0.2024 -0.1341 -0.1951 0.070 Uiso 1 calc R . .
C25 C 0.2914(14) -0.0288(9) -0.0939(8) 0.053(3) Uani 1 d . . .
H25 H 0.3103 0.0102 -0.1277 0.064 Uiso 1 calc R . .
C26 C 0.3268(14) -0.0013(9) -0.0018(9) 0.055(3) Uani 1 d . . .
N31 N 0.4115(11) 0.1150(6) 0.1320(6) 0.043(2) Uani 1 d . . .
C32 C 0.3950(13) 0.0893(9) 0.0418(8) 0.052(3) Uani 1 d . . .
C33 C 0.4447(14) 0.1482(9) -0.0017(9) 0.052(3) Uani 1 d . . .
H33 H 0.4388 0.1283 -0.0611 0.063 Uiso 1 calc R . .
C34 C 0.5013(15) 0.2338(10) 0.0402(9) 0.058(4) Uani 1 d . . .
H34 H 0.5308 0.2728 0.0097 0.070 Uiso 1 calc R . .
C35 C 0.5143(14) 0.2622(10) 0.1317(9) 0.055(3) Uani 1 d . . .
H35 H 0.5522 0.3202 0.1629 0.066 Uiso 1 calc R . .
C36 C 0.4678(14) 0.1993(9) 0.1734(9) 0.054(3) Uani 1 d . . .
H36 H 0.4768 0.2173 0.2335 0.064 Uiso 1 calc R . .
N41 N 0.0548(10) -0.0472(7) 0.1790(7) 0.044(2) Uani 1 d . . .
C42 C -0.0158(12) -0.0992(8) 0.1005(8) 0.046(3) Uani 1 d . . .
H42 H 0.0105 -0.0914 0.0514 0.055 Uiso 1 calc R . .
C43 C -0.1264(15) -0.1645(9) 0.0863(10) 0.061(4) Uani 1 d . . .
H43 H -0.1732 -0.1995 0.0301 0.073 Uiso 1 calc R . .
C44 C -0.1617(15) -0.1741(11) 0.1593(10) 0.067(4) Uani 1 d . . .
H44 H -0.2313 -0.2192 0.1537 0.081 Uiso 1 calc R . .
C45 C -0.0987(14) -0.1200(10) 0.2398(10) 0.060(4) Uani 1 d . . .
H45 H -0.1270 -0.1255 0.2887 0.072 Uiso 1 calc R . .
C46 C 0.0080(13) -0.0567(8) 0.2479(8) 0.049(3) Uani 1 d . . .
N51 N 0.2176(10) 0.0328(7) 0.3424(6) 0.046(3) Uani 1 d . . .
C53 C 0.023(2) 0.0358(12) 0.3974(12) 0.083(5) Uani 1 d . . .
H53 H -0.0688 0.0170 0.3877 0.099 Uiso 1 calc R . .
C52 C 0.0910(15) 0.0047(8) 0.3341(9) 0.049(3) Uani 1 d . . .
C54 C 0.104(2) 0.0967(11) 0.4747(11) 0.081(5) Uani 1 d . . .
H54 H 0.0676 0.1171 0.5199 0.097 Uiso 1 calc R . .
C55 C 0.2389(19) 0.1269(11) 0.4847(10) 0.077(5) Uani 1 d . . .
H55 H 0.2916 0.1694 0.5348 0.092 Uiso 1 calc R . .
C56 C 0.2933(16) 0.0922(9) 0.4179(8) 0.056(3) Uani 1 d . . .
N61 N 0.4722(11) 0.1135(7) 0.3518(7) 0.052(3) Uani 1 d . . .
C62 C 0.4339(15) 0.1184(9) 0.4268(9) 0.055(3) Uani 1 d . . .
C63 C 0.5276(19) 0.1554(13) 0.5086(11) 0.085(5) Uani 1 d . . .
H63 H 0.4995 0.1685 0.5589 0.102 Uiso 1 calc R . .
C66 C 0.6656(18) 0.1735(13) 0.5160(11) 0.084(6) Uani 1 d . . .
H66 H 0.7307 0.1891 0.5714 0.101 Uiso 1 calc R . .
C64 C 0.7018(18) 0.1677(11) 0.4413(12) 0.080(5) Uani 1 d . . .
H64 H 0.7914 0.1840 0.4444 0.096 Uiso 1 calc R . .
C65 C 0.6032(14) 0.1371(10) 0.3597(10) 0.060(4) Uani 1 d . . .
H65 H 0.6288 0.1327 0.3084 0.072 Uiso 1 calc R . .
O11 O 0.2161(9) 0.1495(6) 0.2291(6) 0.054(2) Uani 1 d . . .
N13 N 0.1516(12) 0.1509(7) 0.1505(8) 0.051(3) Uani 1 d . . .
O12 O 0.1368(9) 0.0780(6) 0.0931(6) 0.052(2) Uani 1 d . . .
O14 O 0.1029(11) 0.2141(7) 0.1303(8) 0.076(3) Uani 1 d . . .
O21 O 0.4408(10) -0.0687(7) 0.3159(6) 0.059(2) Uani 1 d . . .
N23 N 0.5401(13) -0.0619(7) 0.2834(7) 0.055(3) Uani 1 d . . .
O22 O 0.5226(10) -0.0321(6) 0.2137(6) 0.058(2) Uani 1 d . . .
O24 O 0.6470(13) -0.0846(9) 0.3195(8) 0.091(4) Uani 1 d . . .
Dy2 Dy 0.32380(6) 0.43259(4) 0.70276(4) 0.0423(2) Uani 1 d . . .
N71 N 0.5490(11) 0.5014(6) 0.8169(7) 0.045(2) Uani 1 d . . .
C72 C 0.5590(13) 0.5319(9) 0.9052(9) 0.056(3) Uani 1 d . . .
H72 H 0.4823 0.5220 0.9228 0.067 Uiso 1 calc R . .
C73 C 0.6758(15) 0.5758(10) 0.9678(10) 0.062(4) Uani 1 d . . .
H73 H 0.6791 0.5955 1.0268 0.074 Uiso 1 calc R . .
C74 C 0.7871(15) 0.5899(11) 0.9417(10) 0.072(4) Uani 1 d . . .
H74 H 0.8678 0.6207 0.9829 0.087 Uiso 1 calc R . .
C75 C 0.7815(16) 0.5592(10) 0.8548(12) 0.070(4) Uani 1 d . . .
H75 H 0.8580 0.5687 0.8368 0.085 Uiso 1 calc R . .
C76 C 0.6625(13) 0.5146(8) 0.7953(9) 0.046(3) Uani 1 d . . .
N81 N 0.5260(11) 0.4451(6) 0.6435(7) 0.047(2) Uani 1 d . . .
C82 C 0.6493(12) 0.4718(9) 0.7008(9) 0.050(3) Uani 1 d . . .
C83 C 0.7651(15) 0.4618(10) 0.6715(12) 0.064(4) Uani 1 d . . .
H83 H 0.8518 0.4826 0.7104 0.076 Uiso 1 calc R . .
C84 C 0.7455(18) 0.4221(12) 0.5876(11) 0.075(5) Uani 1 d . . .
H84 H 0.8203 0.4130 0.5685 0.089 Uiso 1 calc R . .
C85 C 0.6211(16) 0.3945(11) 0.5288(10) 0.063(4) Uani 1 d . . .
H85 H 0.6099 0.3676 0.4699 0.075 Uiso 1 calc R . .
C86 C 0.5087(18) 0.4073(10) 0.5587(11) 0.067(4) Uani 1 d . . .
N91 N 0.2712(11) 0.3920(7) 0.5372(7) 0.049(3) Uani 1 d . . .
C92 C 0.3744(17) 0.3791(8) 0.4978(10) 0.059(4) Uani 1 d . . .
C93 C 0.3397(19) 0.3521(11) 0.4073(10) 0.070(4) Uani 1 d . . .
H93 H 0.4082 0.3496 0.3809 0.085 Uiso 1 calc R . .
C94 C 0.208(2) 0.3285(9) 0.3542(10) 0.076(5) Uani 1 d . . .
H94 H 0.1885 0.3027 0.2940 0.092 Uiso 1 calc R . .
C95 C 0.1053(18) 0.3435(10) 0.3909(10) 0.069(4) Uani 1 d . . .
H95 H 0.0157 0.3347 0.3559 0.083 Uiso 1 calc R . .
C96 C 0.1425(14) 0.3718(10) 0.4815(9) 0.059(4) Uani 1 d . . .
H96 H 0.0734 0.3778 0.5072 0.070 Uiso 1 calc R . .
O31 O 0.4623(10) 0.3110(6) 0.7219(7) 0.055(2) Uani 1 d . . .
N33 N 0.4417(11) 0.2993(8) 0.7924(8) 0.054(3) Uani 1 d . . .
O32 O 0.3621(10) 0.3493(6) 0.8180(6) 0.054(2) Uani 1 d . . .
O34 O 0.4904(12) 0.2478(8) 0.8347(8) 0.078(3) Uani 1 d . . .
O41 O 0.1840(11) 0.2747(7) 0.6436(7) 0.071(3) Uani 1 d . . .
N43 N 0.0724(12) 0.2984(10) 0.6491(9) 0.068(3) Uani 1 d . . .
O44 O -0.0282(11) 0.2431(9) 0.6245(9) 0.096(4) Uani 1 d . . .
O42 O 0.0804(10) 0.3796(7) 0.6778(8) 0.078(3) Uani 1 d . . .
O61 O 0.2640(10) 0.5175(8) 0.8189(7) 0.080(4) Uani 1 d . . .
N63 N 0.1589(14) 0.5359(9) 0.8350(8) 0.063(3) Uani 1 d . . .
O62 O 0.0982(16) 0.4997(15) 0.8712(10) 0.165(9) Uani 1 d . . .
O64 O 0.1149(19) 0.6026(10) 0.8151(12) 0.130(6) Uani 1 d . . .
O51 O 0.3747(11) 0.5833(6) 0.6811(7) 0.063(3) Uani 1 d . . .
O52 O 0.1656(12) 0.5338(8) 0.6338(7) 0.076(3) Uani 1 d . . .
O54 O 0.2339(16) 0.6696(8) 0.6372(11) 0.109(5) Uani 1 d . . .
N53 N 0.2613(13) 0.5959(8) 0.6607(14) 0.105(7) Uani 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
_geom_angle_publ_flag
O22 Dy1 O11 136.3(3) . . ?
O22 Dy1 N11 77.9(3) . . ?
O11 Dy1 N11 145.7(3) . . ?
O22 Dy1 N21 73.0(3) . . ?
O11 Dy1 N21 116.1(3) . . ?
N11 Dy1 N21 63.4(3) . . ?
O22 Dy1 O21 52.0(3) . . ?
O11 Dy1 O21 131.7(3) . . ?
N11 Dy1 O21 67.1(3) . . ?
N21 Dy1 O21 111.2(3) . . ?
O22 Dy1 N41 144.1(3) . . ?
O11 Dy1 N41 79.6(3) . . ?
N11 Dy1 N41 66.5(3) . . ?
N21 Dy1 N41 93.5(3) . . ?
O21 Dy1 N41 107.3(3) . . ?
O22 Dy1 O12 132.7(3) . . ?
O11 Dy1 O12 50.4(3) . . ?
N11 Dy1 O12 107.4(3) . . ?
N21 Dy1 O12 68.7(3) . . ?
O21 Dy1 O12 172.9(3) . . ?
N41 Dy1 O12 65.7(3) . . ?
O22 Dy1 N31 74.8(3) . . ?
O11 Dy1 N31 72.5(3) . . ?
N11 Dy1 N31 126.2(3) . . ?
N21 Dy1 N31 64.7(3) . . ?
O21 Dy1 N31 122.4(3) . . ?
N41 Dy1 N31 129.9(3) . . ?
O12 Dy1 N31 64.4(3) . . ?
O22 Dy1 N51 121.3(3) . . ?
O11 Dy1 N51 68.6(3) . . ?
N11 Dy1 N51 98.9(3) . . ?
N21 Dy1 N51 155.9(3) . . ?
O21 Dy1 N51 72.5(3) . . ?
N41 Dy1 N51 63.4(3) . . ?
O12 Dy1 N51 104.6(3) . . ?
N31 Dy1 N51 134.8(3) . . ?
O22 Dy1 N61 74.2(3) . . ?
O11 Dy1 N61 74.0(3) . . ?
N11 Dy1 N61 131.2(4) . . ?
N21 Dy1 N61 138.9(3) . . ?
O21 Dy1 N61 64.1(3) . . ?
N41 Dy1 N61 127.5(3) . . ?
O12 Dy1 N61 121.0(3) . . ?
N31 Dy1 N61 83.3(3) . . ?
N51 Dy1 N61 64.9(3) . . ?
C12 N11 C16 119.4(11) . . ?
C12 N11 Dy1 120.6(9) . . ?
C16 N11 Dy1 119.6(8) . . ?
N11 C12 C13 122.5(14) . . ?
C14 C13 C12 118.6(16) . . ?
C13 C14 C15 118.3(15) . . ?
C14 C15 C16 121.2(15) . . ?
N11 C16 C15 120.1(12) . . ?
N11 C16 C22 117.3(10) . . ?
C15 C16 C22 122.5(12) . . ?
C26 N21 C22 117.8(10) . . ?
C26 N21 Dy1 119.3(8) . . ?
C22 N21 Dy1 121.9(8) . . ?
C23 C22 N21 121.1(11) . . ?
C23 C22 C16 123.3(11) . . ?
N21 C22 C16 115.6(11) . . ?
C24 C23 C22 120.9(12) . . ?
C23 C24 C25 119.2(13) . . ?
C24 C25 C26 118.7(13) . . ?
N21 C26 C25 122.0(12) . . ?
N21 C26 C32 118.4(12) . . ?
C25 C26 C32 119.6(12) . . ?
C36 N31 C32 117.6(10) . . ?
C36 N31 Dy1 122.1(7) . . ?
C32 N31 Dy1 119.6(8) . . ?
C33 C32 N31 120.3(12) . . ?
C33 C32 C26 123.7(12) . . ?
N31 C32 C26 115.9(12) . . ?
C34 C33 C32 122.0(12) . . ?
C33 C34 C35 118.3(12) . . ?
C36 C35 C34 117.5(13) . . ?
N31 C36 C35 124.1(12) . . ?
C42 N41 C46 115.8(11) . . ?
C42 N41 Dy1 118.9(8) . . ?
C46 N41 Dy1 120.4(8) . . ?
N41 C42 C43 124.7(13) . . ?
C42 C43 C44 116.0(13) . . ?
C45 C44 C43 121.9(14) . . ?
C44 C45 C46 118.4(13) . . ?
N41 C46 C45 123.0(12) . . ?
N41 C46 C52 112.9(11) . . ?
C45 C46 C52 123.9(11) . . ?
C52 N51 C56 118.5(11) . . ?
C52 N51 Dy1 120.5(8) . . ?
C56 N51 Dy1 118.8(8) . . ?
C54 C53 C52 114.9(17) . . ?
N51 C52 C53 124.8(14) . . ?
N51 C52 C46 117.3(10) . . ?
C53 C52 C46 117.5(14) . . ?
C53 C54 C55 120.8(14) . . ?
C56 C55 C54 118.7(14) . . ?
C55 C56 N51 122.0(14) . . ?
C55 C56 C62 120.9(13) . . ?
N51 C56 C62 117.1(11) . . ?
C65 N61 C62 119.1(12) . . ?
C65 N61 Dy1 122.0(9) . . ?
C62 N61 Dy1 115.8(9) . . ?
N61 C62 C63 119.4(15) . . ?
N61 C62 C56 118.9(12) . . ?
C63 C62 C56 121.5(14) . . ?
C66 C63 C62 120.1(16) . . ?
C64 C66 C63 118.8(15) . . ?
C66 C64 C65 118.9(16) . . ?
N61 C65 C64 122.7(15) . . ?
N13 O11 Dy1 101.6(7) . . ?
O14 N13 O12 121.8(12) . . ?
O14 N13 O11 123.6(11) . . ?
O12 N13 O11 114.6(10) . . ?
N13 O12 Dy1 92.3(7) . . ?
N23 O21 Dy1 91.8(7) . . ?
O24 N23 O21 119.9(12) . . ?
O24 N23 O22 122.1(13) . . ?
O21 N23 O22 118.0(11) . . ?
N23 O22 Dy1 97.7(8) . . ?
O61 Dy2 O51 79.1(4) . . ?
O61 Dy2 O32 74.8(4) . . ?
O51 Dy2 O32 141.1(3) . . ?
O61 Dy2 N71 76.6(3) . . ?
O51 Dy2 N71 74.2(4) . . ?
O32 Dy2 N71 72.0(3) . . ?
O61 Dy2 O31 123.3(4) . . ?
O51 Dy2 O31 132.5(3) . . ?
O32 Dy2 O31 51.0(3) . . ?
N71 Dy2 O31 72.4(3) . . ?
O61 Dy2 O42 73.1(4) . . ?
O51 Dy2 O42 114.6(4) . . ?
O32 Dy2 O42 84.8(4) . . ?
N71 Dy2 O42 145.7(4) . . ?
O31 Dy2 O42 112.0(3) . . ?
O61 Dy2 N91 143.4(4) . . ?
O51 Dy2 N91 82.3(3) . . ?
O32 Dy2 N91 134.4(3) . . ?
N71 Dy2 N91 127.6(3) . . ?
O31 Dy2 N91 92.3(3) . . ?
O42 Dy2 N91 86.7(4) . . ?
O61 Dy2 N81 134.7(4) . . ?
O51 Dy2 N81 69.6(3) . . ?
O32 Dy2 N81 110.7(3) . . ?
N71 Dy2 N81 64.1(3) . . ?
O31 Dy2 N81 65.8(3) . . ?
O42 Dy2 N81 150.0(4) . . ?
N91 Dy2 N81 63.9(4) . . ?
O61 Dy2 O41 112.8(4) . . ?
O51 Dy2 O41 149.1(4) . . ?
O32 Dy2 O41 69.2(3) . . ?
N71 Dy2 O41 135.3(4) . . ?
O31 Dy2 O41 66.2(4) . . ?
O42 Dy2 O41 49.3(3) . . ?
N91 Dy2 O41 71.4(3) . . ?
N81 Dy2 O41 110.8(3) . . ?
O61 Dy2 O52 73.3(4) . . ?
O51 Dy2 O52 49.6(4) . . ?
O32 Dy2 O52 141.7(3) . . ?
N71 Dy2 O52 119.5(4) . . ?
O31 Dy2 O52 162.7(3) . . ?
O42 Dy2 O52 66.0(4) . . ?
N91 Dy2 O52 70.6(4) . . ?
N81 Dy2 O52 106.7(4) . . ?
O41 Dy2 O52 104.7(4) . . ?
C72 N71 C76 116.3(11) . . ?
C72 N71 Dy2 121.0(8) . . ?
C76 N71 Dy2 122.6(8) . . ?
C73 C72 N71 123.2(14) . . ?
C72 C73 C74 118.0(15) . . ?
C73 C74 C75 120.4(13) . . ?
C76 C75 C74 119.0(14) . . ?
C75 C76 N71 123.0(13) . . ?
C75 C76 C82 122.8(12) . . ?
N71 C76 C82 114.1(11) . . ?
C82 N81 C86 120.6(12) . . ?
C82 N81 Dy2 119.1(8) . . ?
C86 N81 Dy2 118.7(9) . . ?
N81 C82 C83 120.2(14) . . ?
N81 C82 C76 118.2(11) . . ?
C83 C82 C76 121.6(13) . . ?
C84 C83 C82 118.1(16) . . ?
C83 C84 C85 122.3(14) . . ?
C84 C85 C86 118.4(15) . . ?
N81 C86 C85 120.2(16) . . ?
N81 C86 C92 119.7(13) . . ?
C85 C86 C92 120.1(14) . . ?
C96 N91 C92 116.5(12) . . ?
C96 N91 Dy2 122.3(9) . . ?
C92 N91 Dy2 120.8(9) . . ?
N91 C92 C93 118.6(15) . . ?
N91 C92 C86 114.2(12) . . ?
C93 C92 C86 126.7(15) . . ?
C94 C93 C92 122.7(15) . . ?
C95 C94 C93 119.3(14) . . ?
C94 C95 C96 116.5(16) . . ?
N91 C96 C95 125.8(14) . . ?
N33 O31 Dy2 96.4(7) . . ?
O34 N33 O31 125.4(12) . . ?
O34 N33 O32 121.3(12) . . ?
O31 N33 O32 113.3(10) . . ?
O34 N33 Dy2 175.7(10) . . ?
O31 N33 Dy2 58.4(6) . . ?
O32 N33 Dy2 55.0(6) . . ?
N33 O32 Dy2 99.2(7) . . ?
N43 O41 Dy2 95.5(8) . . ?
O44 N43 O41 119.2(15) . . ?
O42 N43 O44 126.7(15) . . ?
O41 N43 O42 114.0(11) . . ?
N43 O42 Dy2 101.1(8) . . ?
N63 O61 Dy2 137.8(9) . . ?
O62 N63 O61 127.2(18) . . ?
O62 N63 O64 113.6(18) . . ?
O61 N63 O64 119.1(16) . . ?
N53 O51 Dy2 96.0(8) . . ?
N53 O52 Dy2 89.4(9) . . ?
O51 N53 O52 121.5(12) . . ?
O51 N53 O54 119.6(13) . . ?
O52 N53 O54 114.9(16) . . ?
O51 N53 Dy2 59.4(8) . . ?
O52 N53 Dy2 64.9(8) . . ?
O54 N53 Dy2 176.8(14) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O22 2.440(10) . ?
Dy1 O11 2.413(10) . ?
Dy1 N11 2.587(10) . ?
Dy1 N21 2.528(9) . ?
Dy1 O21 2.555(10) . ?
Dy1 N41 2.543(10) . ?
Dy1 O12 2.596(9) . ?
Dy1 N31 2.539(9) . ?
Dy1 N51 2.560(9) . ?
Dy1 N61 2.613(11) . ?
N11 C12 1.341(17) . ?
N11 C16 1.338(16) . ?
C12 C13 1.37(2) . ?
C13 C14 1.40(2) . ?
C14 C15 1.35(2) . ?
C15 C16 1.398(17) . ?
C16 C22 1.488(17) . ?
N21 C26 1.358(16) . ?
N21 C22 1.338(15) . ?
C22 C23 1.390(18) . ?
C23 C24 1.34(2) . ?
C24 C25 1.367(19) . ?
C25 C26 1.392(18) . ?
C26 C32 1.456(19) . ?
N31 C36 1.340(16) . ?
N31 C32 1.387(15) . ?
C32 C33 1.396(19) . ?
C33 C34 1.359(19) . ?
C34 C35 1.418(19) . ?
C35 C36 1.407(19) . ?
N41 C42 1.328(15) . ?
N41 C46 1.358(16) . ?
C42 C43 1.395(18) . ?
C43 C44 1.36(2) . ?
C44 C45 1.35(2) . ?
C45 C46 1.369(18) . ?
C46 C52 1.497(19) . ?
N51 C52 1.312(17) . ?
N51 C56 1.356(17) . ?
C53 C54 1.40(2) . ?
C53 C52 1.439(19) . ?
C54 C55 1.40(2) . ?
C55 C56 1.40(2) . ?
C56 C62 1.44(2) . ?
N61 C65 1.345(18) . ?
N61 C62 1.365(17) . ?
C62 C63 1.38(2) . ?
C63 C66 1.41(2) . ?
C66 C64 1.35(2) . ?
C64 C65 1.39(2) . ?
O11 N13 1.264(14) . ?
N13 O14 1.209(14) . ?
N13 O12 1.281(13) . ?
O21 N23 1.289(15) . ?
N23 O24 1.229(16) . ?
N23 O22 1.268(14) . ?
Dy2 O61 2.346(10) . ?
Dy2 O51 2.460(9) . ?
Dy2 O32 2.428(9) . ?
Dy2 N71 2.527(10) . ?
Dy2 O31 2.507(10) . ?
Dy2 O42 2.488(10) . ?
Dy2 N91 2.506(10) . ?
Dy2 N81 2.554(11) . ?
Dy2 O41 2.580(11) . ?
Dy2 O52 2.573(11) . ?
N71 C72 1.381(17) . ?
N71 C76 1.333(16) . ?
C72 C73 1.362(18) . ?
C73 C74 1.35(2) . ?
C74 C75 1.37(2) . ?
C75 C76 1.36(2) . ?
C76 C82 1.502(19) . ?
N81 C82 1.329(17) . ?
N81 C86 1.334(18) . ?
C82 C83 1.427(17) . ?
C83 C84 1.32(2) . ?
C84 C85 1.35(2) . ?
C85 C86 1.41(2) . ?
C86 C92 1.44(2) . ?
N91 C96 1.360(17) . ?
N91 C92 1.407(18) . ?
C92 C93 1.37(2) . ?
C93 C94 1.37(2) . ?
C94 C95 1.38(2) . ?
C95 C96 1.37(2) . ?
O31 N33 1.255(14) . ?
N33 O34 1.210(15) . ?
N33 O32 1.290(14) . ?
O41 N43 1.280(16) . ?
N43 O44 1.205(15) . ?
N43 O42 1.244(16) . ?
O61 N63 1.244(15) . ?
N63 O62 1.148(16) . ?
N63 O64 1.238(18) . ?
O51 N53 1.186(16) . ?
O52 N53 1.233(16) . ?
O54 N53 1.307(18) . ?
