#------------------------------------------------------------------------------
#$Date: 2017-06-28 05:58:49 +0300 (Wed, 28 Jun 2017) $
#$Revision: 198184 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/85/7228557.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_7228557
loop_
_publ_author_name
'Yang, Jing'
'Ma, Fang'
'Deng, Xuebin'
'Sun, Hao-Ling'
'Zhang, Yiquan'
_publ_section_title
;
 Construction and magnetic study of two new dysprosium complexes with
 chain or tetranuclear structure
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/C7CE00747G
_journal_year                    2017
_chemical_formula_moiety         'C78 H66 Dy4 N18 O22'
_chemical_formula_sum            'C78 H66 Dy4 N18 O22'
_chemical_formula_weight         2257.49
_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_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2016-09-08
_audit_creation_method
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_audit_update_record
;
2017-04-19 deposited with the CCDC.
2017-06-27 downloaded from the CCDC.
;
_cell_angle_alpha                104.640(3)
_cell_angle_beta                 93.446(3)
_cell_angle_gamma                92.084(3)
_cell_formula_units_Z            1
_cell_length_a                   10.5185(4)
_cell_length_b                   12.0831(4)
_cell_length_c                   16.6476(4)
_cell_measurement_reflns_used    7252
_cell_measurement_temperature    212(30)
_cell_measurement_theta_max      73.0810
_cell_measurement_theta_min      3.7880
_cell_volume                     2040.53(12)
_computing_cell_refinement       'CrysAlisPro 1.171.38.41k (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41k (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41k (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      212(30)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3127
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.9952
_diffrn_measured_fraction_theta_max 0.9952
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -65.00  -8.00   1.00    2.00    --  -41.74 125.00-120.00   57
  2  ω   -116.00  -1.00   1.00    2.00    --  -41.74 -19.00 -30.00  115
  3  ω     23.00  60.00   1.00    2.00    --   41.74-125.00-120.00   37
  4  ω     49.00  78.00   1.00    2.00    --   41.74-125.00-180.00   29
  5  ω     69.00 121.00   1.00    4.00    --  107.19-125.00-180.00   52
  6  ω     71.00 133.00   1.00    4.00    --  107.19 -77.00 -30.00   62
  7  ω     95.00 133.00   1.00    4.00    --  107.19 -45.00 -30.00   38
  8  ω     71.00 109.00   1.00    4.00    --  107.19 -94.00 -30.00   38
  9  ω     65.00 118.00   1.00    4.00    --  107.19-125.00   0.00   53
 10  ω     41.00  98.00   1.00    2.00    --   41.74-125.00   0.00   57
 11  ω     34.00 119.00   1.00    4.00    --  107.19 -45.00 120.00   85
 12  ω     68.00 140.00   1.00    4.00    --  107.19 -77.00 150.00   72
 13  ω     78.00 166.00   1.00    4.00    --  107.19  63.00  39.00   88
 14  ω     35.00 133.00   1.00    4.00    --  107.19 -45.00-120.00   98
 15  ω     35.00  61.00   1.00    4.00    --  107.19-125.00-180.00   26
 16  ω     27.00 168.00   1.00    4.00    --  107.19   0.00  30.00  141
 17  ω     27.00  58.00   1.00    4.00    --  107.19 -94.00 150.00   31
 18  ω   -111.00 -33.00   1.00    2.00    --  -41.74 -37.00  90.00   78
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0619111000
_diffrn_orient_matrix_UB_12      -0.0972805000
_diffrn_orient_matrix_UB_13      -0.0611793000
_diffrn_orient_matrix_UB_21      0.1332395000
_diffrn_orient_matrix_UB_22      0.0541253000
_diffrn_orient_matrix_UB_23      0.0349485000
_diffrn_orient_matrix_UB_31      0.0021691000
_diffrn_orient_matrix_UB_32      -0.0708621000
_diffrn_orient_matrix_UB_33      0.0650455000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0377
_diffrn_reflns_av_unetI/netI     0.0558
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            14340
_diffrn_reflns_theta_full        68.2384
_diffrn_reflns_theta_max         68.24
_diffrn_reflns_theta_min         7.45
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    19.979
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.56750
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.41k (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.8370
_exptl_crystal_description       block
_exptl_crystal_F_000             1064.3849
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.9048
_refine_diff_density_min         -1.7426
_refine_diff_density_rms         0.1372
_refine_ls_d_res_high            0.8301
_refine_ls_d_res_low             5.9459
_refine_ls_goodness_of_fit_ref   1.0244
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    58
_refine_ls_number_parameters     553
_refine_ls_number_reflns         7436
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.0244
_refine_ls_R_factor_all          0.0412
_refine_ls_R_factor_gt           0.0338
_refine_ls_shift/su_max          0.0485
_refine_ls_shift/su_mean         0.0005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0356P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0801
_refine_ls_wR_factor_ref         0.0857
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              12
_reflns_limit_h_min              -12
_reflns_limit_k_max              14
_reflns_limit_k_min              -14
_reflns_limit_l_max              20
_reflns_limit_l_min              0
_reflns_number_gt                6396
_reflns_number_total             7436
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            c7ce00747g2.cif
_cod_data_source_block           151228a
_cod_database_code               7228557
_chemical_oxdiff_formula         'C1 H1 N1 O1 Dy1'
_reflns_odcompleteness_completeness 99.97
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C14(H14), C28(H28), C29(H29), C30(H30), C26(H26),
 C25(H25), C9(H9), C10(H10), C17(H17), C18(H18), C19(H19), C20(H20), C5(H5),
 C1(H1), C3(H3), C7(H7), C23(H23), C33(H33), C2(H2)
2.b Idealised Me refined as rotating group:
 C34(H34a,H34b,H34c), C35(H35a,H35b,H35c), C37(H37a,H37b,H37c), C39(H39a,H39b,
 H39c)
;
_olex2_date_sample_data_collection 2015-12-28
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.615
_oxdiff_exptl_absorpt_empirical_full_min 0.758
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_refinement_flags_posn
Dy1 Dy 0.71208(2) 0.17703(2) 0.789692(14) 0.01940(8) Uani 1.000000 .
Dy2 Dy 0.75915(2) 0.28737(2) 0.600890(15) 0.02098(8) Uani 1.000000 .
O1 O 0.3424(3) 0.0225(3) 0.24846(19) 0.0263(7) Uani 1.000000 .
O2 O 0.6643(3) 0.2054(3) 0.46978(19) 0.0290(7) Uani 1.000000 .
O3 O 0.8227(3) 0.3230(3) 0.74439(18) 0.0238(7) Uani 1.000000 .
O4 O 1.2490(3) 0.1822(4) 1.0644(3) 0.0497(11) Uani 1.000000 .
O5 O 0.8511(3) 0.1749(3) 0.90244(19) 0.0268(7) Uani 1.000000 .
O6 O 0.6125(3) 0.1891(3) 0.66199(18) 0.0228(7) Uani 1.000000 .
O7 O 0.8654(3) 0.1203(3) 0.5935(2) 0.0298(7) Uani 1.000000 .
O8 O 0.8734(3) 0.0820(3) 0.7179(2) 0.0315(8) Uani 1.000000 .
O9 O 0.6570(3) 0.3556(3) 0.8757(2) 0.0325(8) Uani 1.000000 .
O10 O 0.6001(4) 0.4273(4) 0.6480(3) 0.0499(11) Uani 1.000000 .
O11 O 0.7411(5) 0.4737(4) 0.5704(3) 0.0592(14) Uani 1.000000 .
N1 N 0.4535(4) 0.0786(3) 0.2490(2) 0.0226(8) Uani 1.000000 .
N2 N 0.8349(4) 0.2561(3) 0.4011(2) 0.0244(8) Uani 1.000000 .
N3 N 0.8899(3) 0.2969(3) 0.4820(2) 0.0224(8) Uani 1.000000 .
N4 N 0.9755(4) 0.3735(3) 0.6366(2) 0.0256(8) Uani 1.000000 .
N5 N 1.1320(4) 0.1540(4) 1.0760(3) 0.0335(10) Uani 1.000000 .
N6 N 0.6913(4) 0.1403(4) 0.9855(2) 0.0275(9) Uani 1.000000 .
N7 N 0.6135(4) 0.1498(3) 0.9180(2) 0.0235(8) Uani 1.000000 .
N8 N 0.4758(3) 0.1681(3) 0.7866(2) 0.0211(8) Uani 1.000000 .
N9 N 0.5915(5) 0.5352(4) 0.8955(3) 0.0409(11) Uani 1.000000 .
C1 C 0.4868(5) 0.1061(4) 0.1789(3) 0.0277(10) Uani 1.000000 .
C2 C 0.6040(5) 0.1611(4) 0.1788(3) 0.0293(11) Uani 1.000000 .
C3 C 0.6832(5) 0.1936(4) 0.2503(3) 0.0270(10) Uani 1.000000 .
C4 C 0.6452(4) 0.1695(4) 0.3227(3) 0.0230(9) Uani 1.000000 .
C5 C 0.5298(4) 0.1095(4) 0.3207(3) 0.0230(9) Uani 1.000000 .
C6 C 0.7195(4) 0.2126(4) 0.4053(3) 0.0235(9) Uani 1.000000 .
C7 C 0.9983(4) 0.3500(4) 0.4927(3) 0.0259(10) Uani 1.000000 .
C8 C 1.0505(5) 0.3950(4) 0.5796(3) 0.0286(10) Uani 1.000000 .
C9 C 1.1686(5) 0.4562(5) 0.6018(3) 0.0362(12) Uani 1.000000 .
C10 C 1.2091(5) 0.4940(6) 0.6832(4) 0.0447(15) Uani 1.000000 .
C11 C 1.1319(6) 0.4742(6) 0.7464(3) 0.0449(15) Uani 1.000000 .
C12 C 1.1639(6) 0.5109(7) 0.8325(4) 0.065(2) Uani 1.000000 .
C13 C 1.0824(6) 0.4842(7) 0.8870(4) 0.065(2) Uani 1.000000 .
C14 C 0.9669(6) 0.4197(6) 0.8593(3) 0.0450(15) Uani 1.000000 .
C15 C 0.9302(5) 0.3821(4) 0.7756(3) 0.0274(10) Uani 1.000000 .
C16 C 1.0153(5) 0.4110(5) 0.7183(3) 0.0299(11) Uani 1.000000 .
C17 C 1.0351(5) 0.1713(5) 1.0244(3) 0.0312(11) Uani 1.000000 .
C18 C 1.1066(5) 0.1051(5) 1.1392(3) 0.0363(12) Uani 1.000000 .
C19 C 0.9850(5) 0.0703(5) 1.1484(3) 0.0396(13) Uani 1.000000 .
C20 C 0.8853(5) 0.0843(5) 1.0952(3) 0.0322(11) Uani 1.000000 .
C21 C 0.9109(4) 0.1370(4) 1.0318(3) 0.0266(10) Uani 1.000000 .
C22 C 0.8121(4) 0.1531(4) 0.9687(3) 0.0245(10) Uani 1.000000 .
C23 C 0.4930(4) 0.1487(4) 0.9248(3) 0.0269(10) Uani 1.000000 .
C24 C 0.4133(4) 0.1585(4) 0.8514(3) 0.0233(9) Uani 1.000000 .
C25 C 0.2787(4) 0.1584(4) 0.8498(3) 0.0278(10) Uani 1.000000 .
C26 C 0.2108(5) 0.1652(5) 0.7786(3) 0.0351(12) Uani 1.000000 .
C27 C 0.2751(4) 0.1698(5) 0.7070(3) 0.0309(11) Uani 1.000000 .
C28 C 0.2137(5) 0.1732(6) 0.6299(4) 0.0417(14) Uani 1.000000 .
C29 C 0.2875(5) 0.1769(6) 0.5658(4) 0.0506(18) Uani 1.000000 .
C30 C 0.4208(5) 0.1810(6) 0.5731(3) 0.0395(14) Uani 1.000000 .
C31 C 0.4859(4) 0.1804(4) 0.6475(3) 0.0267(10) Uani 1.000000 .
C32 C 0.4108(4) 0.1737(4) 0.7153(3) 0.0228(9) Uani 1.000000 .
C33 C 0.6066(5) 0.4317(4) 0.8498(3) 0.0318(11) Uani 1.000000 .
C34 C 0.6423(8) 0.5712(6) 0.9810(4) 0.0597(19) Uani 1.000000 .
C35 C 0.5313(7) 0.6203(5) 0.8597(5) 0.064(2) Uani 1.000000 .
C36 C 0.6432(6) 0.4963(6) 0.6097(4) 0.0480(16) Uani 1.000000 .
C37 C 0.5767(10) 0.6042(8) 0.6113(7) 0.103(4) Uani 1.000000 .
C38 C 0.8963(4) 0.0590(4) 0.6420(3) 0.0234(9) Uani 1.000000 .
C39 C 0.9671(6) -0.0474(5) 0.6088(3) 0.0424(14) Uani 1.000000 .
H12 H 1.2400(6) 0.5532(7) 0.8525(4) 0.079(3) Uiso 1.000000 R
H13 H 1.1042(6) 0.5095(7) 0.9438(4) 0.078(3) Uiso 1.000000 R
H14 H 0.9146(6) 0.4022(6) 0.8980(3) 0.0539(18) Uiso 1.000000 R
H28 H 0.1253(5) 0.1729(6) 0.6230(4) 0.0501(17) Uiso 1.000000 R
H29 H 0.2469(5) 0.1766(6) 0.5146(4) 0.061(2) Uiso 1.000000 R
H30 H 0.4661(5) 0.1843(6) 0.5274(3) 0.0474(17) Uiso 1.000000 R
H26 H 0.1224(5) 0.1668(5) 0.7773(3) 0.0422(14) Uiso 1.000000 R
H25 H 0.2368(4) 0.1538(4) 0.8966(3) 0.0333(12) Uiso 1.000000 R
H9 H 1.2186(5) 0.4706(5) 0.5610(3) 0.0434(15) Uiso 1.000000 R
H10 H 1.2882(5) 0.5333(6) 0.6982(4) 0.0536(18) Uiso 1.000000 R
H17 H 1.0526(5) 0.2073(5) 0.9827(3) 0.0375(13) Uiso 1.000000 R
H18 H 1.1727(5) 0.0954(5) 1.1761(3) 0.0435(15) Uiso 1.000000 R
H19 H 0.9690(5) 0.0366(5) 1.1914(3) 0.0475(16) Uiso 1.000000 R
H20 H 0.8027(5) 0.0591(5) 1.1012(3) 0.0386(14) Uiso 1.000000 R
H5 H 0.5047(4) 0.0903(4) 0.3683(3) 0.0276(11) Uiso 1.000000 R
H1 H 0.4312(5) 0.0882(4) 0.1313(3) 0.0333(12) Uiso 1.000000 R
H3 H 0.7618(5) 0.2315(4) 0.2502(3) 0.0324(12) Uiso 1.000000 R
H7 H 1.0425(4) 0.3601(4) 0.4481(3) 0.0311(12) Uiso 1.000000 R
H23 H 0.4578(4) 0.1422(4) 0.9734(3) 0.0323(12) Uiso 1.000000 R
H33 H 0.5772(5) 0.4144(4) 0.7940(3) 0.0382(13) Uiso 1.000000 R
H34a H 0.673(5) 0.5062(10) 0.9981(11) 0.090(3) Uiso 1.000000 GR
H34b H 0.711(3) 0.627(4) 0.9861(7) 0.090(3) Uiso 1.000000 GR
H34c H 0.5765(16) 0.604(4) 1.0156(6) 0.090(3) Uiso 1.000000 GR
H35a H 0.5928(16) 0.681(3) 0.860(3) 0.095(3) Uiso 1.000000 GR
H35b H 0.499(5) 0.5850(13) 0.8034(12) 0.095(3) Uiso 1.000000 GR
H35c H 0.462(4) 0.651(4) 0.892(2) 0.095(3) Uiso 1.000000 GR
H37a H 0.524(6) 0.594(3) 0.561(2) 0.155(6) Uiso 1.000000 GR
H37b H 0.525(7) 0.621(4) 0.658(3) 0.155(6) Uiso 1.000000 GR
H37c H 0.6389(9) 0.6662(16) 0.616(5) 0.155(6) Uiso 1.000000 GR
H39a H 0.9153(16) -0.1137(5) 0.610(2) 0.064(2) Uiso 1.000000 GR
H39b H 0.986(4) -0.0519(19) 0.5524(9) 0.064(2) Uiso 1.000000 GR
H39c H 1.0453(19) -0.0443(17) 0.6424(16) 0.064(2) Uiso 1.000000 GR
H2 H 0.6295(5) 0.1763(4) 0.1299(3) 0.0352(13) Uiso 1.000000 R
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
C 0.01920 0.00962 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Dy -9.84008 9.94002 26.50700 17.63830 14.55960 2.96577 2.18020 0.20217 12.18990
111.87400 4.29727983475
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.05239 0.03377 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.250800013542
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.03256 0.01839 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
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_3
O3 Dy1 O1 142.19(11) 2_656
O5 Dy1 O1 96.07(11) 2_656
O5 Dy1 O3 97.93(10) .
O6 Dy1 O1 88.72(11) 2_656
O6 Dy1 O3 71.47(10) .
O6 Dy1 O5 167.21(10) .
O8 Dy1 O1 70.89(12) 2_656
O8 Dy1 O3 76.68(12) .
O8 Dy1 O5 81.59(12) .
O8 Dy1 O6 88.83(11) .
O9 Dy1 O1 143.48(11) 2_656
O9 Dy1 O3 73.13(11) .
O9 Dy1 O5 83.79(12) .
O9 Dy1 O6 99.40(12) .
O9 Dy1 O8 144.11(13) .
N7 Dy1 O1 78.25(12) 2_656
N7 Dy1 O3 139.09(12) .
N7 Dy1 O5 63.33(11) .
N7 Dy1 O6 129.40(11) .
N7 Dy1 O8 129.95(11) .
N7 Dy1 O9 69.08(12) .
N8 Dy1 O1 76.73(12) 2_656
N8 Dy1 O3 120.38(11) .
N8 Dy1 O5 126.15(11) .
N8 Dy1 O6 66.49(11) .
N8 Dy1 O8 139.52(13) .
N8 Dy1 O9 74.23(13) .
N8 Dy1 N7 62.96(12) .
C22 Dy1 O1 88.48(11) 2_656
C22 Dy1 O3 114.40(11) .
C22 Dy1 O5 19.97(11) .
C22 Dy1 O6 172.82(11) .
C22 Dy1 O8 96.49(12) .
C22 Dy1 O9 79.08(12) .
C22 Dy1 N7 43.47(12) .
C22 Dy1 N8 106.41(11) .
O3 Dy2 O2 162.34(11) .
O6 Dy2 O2 91.54(11) .
O6 Dy2 O3 71.85(10) .
O7 Dy2 O2 88.75(12) .
O7 Dy2 O3 82.78(12) .
O7 Dy2 O6 80.65(11) .
O10 Dy2 O2 97.76(15) .
O10 Dy2 O3 84.34(14) .
O10 Dy2 O6 76.14(12) .
O10 Dy2 O7 156.01(12) .
O11 Dy2 O2 87.95(16) .
O11 Dy2 O3 106.89(15) .
O11 Dy2 O6 128.29(13) .
O11 Dy2 O7 150.94(13) .
O11 Dy2 O10 52.83(13) .
N3 Dy2 O2 64.11(11) .
N3 Dy2 O3 129.37(11) .
N3 Dy2 O6 150.45(12) .
N3 Dy2 O7 82.26(12) .
N3 Dy2 O10 121.36(12) .
N3 Dy2 O11 70.37(13) .
N4 Dy2 O2 127.39(12) .
N4 Dy2 O3 66.76(11) .
N4 Dy2 O6 136.61(11) .
N4 Dy2 O7 81.83(13) .
N4 Dy2 O10 111.30(15) .
N4 Dy2 O11 77.40(15) .
N4 Dy2 N3 63.36(12) .
C6 Dy2 O2 20.31(11) .
C6 Dy2 O3 169.36(11) .
C6 Dy2 O6 111.34(11) .
C6 Dy2 O7 87.70(12) .
C6 Dy2 O10 106.24(14) .
C6 Dy2 O11 79.41(15) .
C6 Dy2 N3 43.88(12) .
C6 Dy2 N4 107.25(12) .
C36 Dy2 O2 92.48(17) .
C36 Dy2 O3 96.80(16) .
C36 Dy2 O6 102.19(14) .
C36 Dy2 O7 176.87(16) .
C36 Dy2 O10 26.47(14) .
C36 Dy2 O11 26.37(15) .
C36 Dy2 N3 95.68(14) .
C36 Dy2 N4 95.14(17) .
C36 Dy2 C6 92.45(15) .
N1 O1 Dy1 130.2(3) 2_656
C6 O2 Dy2 120.6(3) .
Dy2 O3 Dy1 104.88(12) .
C15 O3 Dy1 129.5(3) .
C15 O3 Dy2 120.8(3) .
C22 O5 Dy1 122.0(3) .
Dy2 O6 Dy1 106.48(12) .
C31 O6 Dy1 121.9(3) .
C31 O6 Dy2 127.1(2) .
C38 O7 Dy2 137.1(3) .
C38 O8 Dy1 132.3(3) .
C33 O9 Dy1 124.6(3) .
C36 O10 Dy2 93.6(4) .
C36 O11 Dy2 93.8(3) .
C1 N1 O1 119.4(4) .
C5 N1 O1 119.1(4) .
C5 N1 C1 121.5(4) .
C6 N2 N3 108.0(3) .
N2 N3 Dy2 118.8(3) .
C7 N3 Dy2 122.2(3) .
C7 N3 N2 118.4(4) .
C8 N4 Dy2 122.6(3) .
C16 N4 Dy2 117.9(3) .
C16 N4 C8 119.1(4) .
C17 N5 O4 119.9(4) .
C18 N5 O4 120.6(4) .
C18 N5 C17 119.6(4) .
C22 N6 N7 108.5(3) .
N6 N7 Dy1 119.6(3) .
C23 N7 Dy1 122.5(3) .
C23 N7 N6 117.8(4) .
C24 N8 Dy1 122.5(3) .
C32 N8 Dy1 117.4(3) .
C32 N8 C24 120.0(4) .
C34 N9 C33 121.1(5) .
C35 N9 C33 120.9(5) .
C35 N9 C34 117.8(5) .
C2 C1 N1 119.3(4) .
H1 C1 N1 120.3(3) .
H1 C1 C2 120.3(3) .
C3 C2 C1 120.4(4) .
H2 C2 C1 119.8(3) .
H2 C2 C3 119.8(3) .
C4 C3 C2 119.5(4) .
H3 C3 C2 120.2(3) .
H3 C3 C4 120.2(3) .
C5 C4 C3 119.2(4) .
C6 C4 C3 122.9(4) .
C6 C4 C5 117.8(4) .
C4 C5 N1 119.9(4) .
H5 C5 N1 120.1(2) .
H5 C5 C4 120.1(2) .
O2 C6 Dy2 39.0(2) .
N2 C6 Dy2 89.3(3) .
N2 C6 O2 128.2(4) .
C4 C6 Dy2 155.8(3) .
C4 C6 O2 117.4(4) .
C4 C6 N2 114.4(4) .
C8 C7 N3 116.4(4) .
H7 C7 N3 121.8(3) .
H7 C7 C8 121.8(3) .
C7 C8 N4 114.6(4) .
C9 C8 N4 122.0(5) .
C9 C8 C7 123.4(4) .
C10 C9 C8 119.3(5) .
H9 C9 C8 120.3(3) .
H9 C9 C10 120.3(3) .
C11 C10 C9 120.7(5) .
H10 C10 C9 119.6(3) .
H10 C10 C11 119.6(3) .
C12 C11 C10 125.4(5) .
C16 C11 C10 116.0(5) .
C16 C11 C12 118.6(5) .
C13 C12 C11 119.8(6) .
H12 C12 C11 120.1(3) .
H12 C12 C13 120.1(4) .
C14 C13 C12 121.9(6) .
H13 C13 C12 119.0(4) .
H13 C13 C14 119.0(3) .
C15 C14 C13 120.8(5) .
H14 C14 C13 119.6(3) .
H14 C14 C15 119.6(3) .
C14 C15 O3 124.8(4) .
C16 C15 O3 117.9(4) .
C16 C15 C14 117.3(5) .
C11 C16 N4 122.8(4) .
C15 C16 N4 115.7(4) .
C15 C16 C11 121.5(5) .
C21 C17 N5 121.6(4) .
H17 C17 N5 119.2(3) .
H17 C17 C21 119.2(3) .
C19 C18 N5 120.3(4) .
H18 C18 N5 119.9(3) .
H18 C18 C19 119.9(3) .
C20 C19 C18 121.2(5) .
H19 C19 C18 119.4(3) .
H19 C19 C20 119.4(3) .
C21 C20 C19 118.5(5) .
H20 C20 C19 120.7(3) .
H20 C20 C21 120.7(3) .
C20 C21 C17 118.8(4) .
C22 C21 C17 117.6(4) .
C22 C21 C20 123.6(4) .
O5 C22 Dy1 38.0(2) .
N6 C22 Dy1 88.4(3) .
N6 C22 O5 126.3(4) .
C21 C22 Dy1 154.4(3) .
C21 C22 O5 117.3(4) .
C21 C22 N6 116.4(4) .
C24 C23 N7 116.2(4) .
H23 C23 N7 121.9(3) .
H23 C23 C24 121.9(2) .
C23 C24 N8 115.6(4) .
C25 C24 N8 121.8(4) .
C25 C24 C23 122.6(4) .
C26 C25 C24 119.3(4) .
H25 C25 C24 120.4(3) .
H25 C25 C26 120.4(3) .
C27 C26 C25 120.1(4) .
H26 C26 C25 120.0(3) .
H26 C26 C27 120.0(3) .
C28 C27 C26 124.4(5) .
C32 C27 C26 116.7(4) .
C32 C27 C28 118.8(4) .
C29 C28 C27 118.3(5) .
H28 C28 C27 120.9(3) .
H28 C28 C29 120.9(3) .
C30 C29 C28 123.5(5) .
H29 C29 C28 118.2(3) .
H29 C29 C30 118.2(3) .
C31 C30 C29 120.6(5) .
H30 C30 C29 119.7(3) .
H30 C30 C31 119.7(3) .
C30 C31 O6 125.3(4) .
C32 C31 O6 117.6(4) .
C32 C31 C30 117.0(4) .
C27 C32 N8 122.0(4) .
C31 C32 N8 116.3(4) .
C31 C32 C27 121.7(4) .
N9 C33 O9 124.5(5) .
H33 C33 O9 117.8(3) .
H33 C33 N9 117.8(3) .
H34a C34 N9 109.5 .
H34b C34 N9 109.5 .
H34b C34 H34a 109.5 .
H34c C34 N9 109.5 .
H34c C34 H34a 109.5 .
H34c C34 H34b 109.5 .
H35a C35 N9 109.5 .
H35b C35 N9 109.5 .
H35b C35 H35a 109.5 .
H35c C35 N9 109.5 .
H35c C35 H35a 109.5 .
H35c C35 H35b 109.5 .
O10 C36 Dy2 59.9(3) .
O11 C36 Dy2 59.8(3) .
O11 C36 O10 119.7(5) .
C37 C36 Dy2 177.2(7) .
C37 C36 O10 119.6(6) .
C37 C36 O11 120.7(5) .
H37a C37 C36 109.5 .
H37b C37 C36 109.5 .
H37b C37 H37a 109.5 .
H37c C37 C36 109.5 .
H37c C37 H37a 109.5 .
H37c C37 H37b 109.5 .
O8 C38 O7 124.1(4) .
C39 C38 O7 118.8(4) .
C39 C38 O8 117.1(4) .
H39a C39 C38 109.5 .
H39b C39 C38 109.5 .
H39b C39 H39a 109.5 .
H39c C39 C38 109.5 .
H39c C39 H39a 109.5 .
H39c C39 H39b 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O1 2.372(3) 2_656
Dy1 O3 2.379(3) .
Dy1 O5 2.315(3) .
Dy1 O6 2.353(3) .
Dy1 O8 2.306(3) .
Dy1 O9 2.382(3) .
Dy1 N7 2.518(3) .
Dy1 N8 2.480(4) .
Dy1 C22 3.186(4) .
Dy2 O2 2.305(3) .
Dy2 O3 2.368(3) .
Dy2 O6 2.343(3) .
Dy2 O7 2.323(3) .
Dy2 O10 2.443(4) .
Dy2 O11 2.442(4) .
Dy2 N3 2.500(4) .
Dy2 N4 2.443(4) .
Dy2 C6 3.148(4) .
Dy2 C36 2.818(6) .
O1 N1 1.327(5) .
O2 C6 1.270(5) .
O3 C15 1.320(6) .
O4 N5 1.305(5) .
O5 C22 1.283(5) .
O6 C31 1.334(5) .
O7 C38 1.262(5) .
O8 C38 1.264(6) .
O9 C33 1.233(6) .
O10 C36 1.259(6) .
O11 C36 1.255(7) .
N1 C1 1.353(5) .
N1 C5 1.358(6) .
N2 N3 1.394(5) .
N2 C6 1.319(6) .
N3 C7 1.269(6) .
N4 C8 1.337(6) .
N4 C16 1.355(6) .
N5 C17 1.350(6) .
N5 C18 1.364(6) .
N6 N7 1.382(5) .
N6 C22 1.330(6) .
N7 C23 1.279(6) .
N8 C24 1.324(6) .
N8 C32 1.353(6) .
N9 C33 1.310(7) .
N9 C34 1.441(8) .
N9 C35 1.458(7) .
C1 C2 1.380(7) .
C1 H1 0.9300 .
C2 C3 1.374(7) .
C2 H2 0.9300 .
C3 C4 1.387(6) .
C3 H3 0.9300 .
C4 C5 1.386(7) .
C4 C6 1.500(6) .
C5 H5 0.9300 .
C7 C8 1.474(7) .
C7 H7 0.9300 .
C8 C9 1.402(7) .
C9 C10 1.354(8) .
C9 H9 0.9300 .
C10 C11 1.428(7) .
C10 H10 0.9300 .
C11 C12 1.405(8) .
C11 C16 1.410(7) .
C12 C13 1.372(8) .
C12 H12 0.9300 .
C13 C14 1.407(8) .
C13 H13 0.9300 .
C14 C15 1.377(7) .
C14 H14 0.9300 .
C15 C16 1.444(6) .
C17 C21 1.378(7) .
C17 H17 0.9300 .
C18 C19 1.362(8) .
C18 H18 0.9300 .
C19 C20 1.373(7) .
C19 H19 0.9300 .
C20 C21 1.397(6) .
C20 H20 0.9300 .
C21 C22 1.487(6) .
C23 C24 1.472(6) .
C23 H23 0.9300 .
C24 C25 1.414(6) .
C25 C26 1.368(7) .
C25 H25 0.9300 .
C26 C27 1.419(7) .
C26 H26 0.9300 .
C27 C28 1.412(7) .
C27 C32 1.423(7) .
C28 C29 1.365(8) .
C28 H28 0.9300 .
C29 C30 1.398(7) .
C29 H29 0.9300 .
C30 C31 1.382(7) .
C30 H30 0.9300 .
C31 C32 1.432(6) .
C33 H33 0.9300 .
C34 H34a 0.9600 .
C34 H34b 0.9600 .
C34 H34c 0.9600 .
C35 H35a 0.9600 .
C35 H35b 0.9600 .
C35 H35c 0.9600 .
C36 C37 1.497(9) .
C37 H37a 0.9600 .
C37 H37b 0.9600 .
C37 H37c 0.9600 .
C38 C39 1.508(7) .
C39 H39a 0.9600 .
C39 H39b 0.9600 .
C39 H39c 0.9600 .
