#------------------------------------------------------------------------------
#$Date: 2019-05-25 06:56:30 +0300 (Sat, 25 May 2019) $
#$Revision: 215523 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/28/7232835.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_7232835
loop_
_publ_author_name
'Feng, Xun'
'Shang, Yapei'
'Zhang, Heng'
'Li, Rongfang'
'Wang, Weizhou'
'Zhang, Daoming'
'Wang, Liya'
'Li, Zhongjun'
_publ_section_title
;
 Enhanced luminescence and tunable magnetic properties of lanthanide
 coordination polymers based on fluorine substitution and phenanthroline
 ligand
;
_journal_issue                   29
_journal_name_full               'RSC Advances'
_journal_page_first              16328
_journal_paper_doi               10.1039/C9RA01574D
_journal_volume                  9
_journal_year                    2019
_chemical_formula_moiety         '0.06(C152 Dy6 F32 N12 O44)'
_chemical_formula_sum            'C9.5 Dy0.375 F2 N0.75 O2.75'
_chemical_formula_weight         267.54
_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'
_atom_sites_solution_primary     dual
_audit_block_doi                 10.5517/ccdc.csd.cc21mttb
_audit_creation_date             2016-09-19
_audit_creation_method
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_audit_update_record
;
2019-02-07 deposited with the CCDC.    2019-05-24 downloaded from the CCDC.
;
_cell_angle_alpha                93.954(3)
_cell_angle_beta                 106.671(3)
_cell_angle_gamma                106.149(4)
_cell_formula_units_Z            16
_cell_length_a                   14.9346(6)
_cell_length_b                   15.1836(6)
_cell_length_c                   17.8339(7)
_cell_measurement_reflns_used    14614
_cell_measurement_theta_max      27.9450
_cell_measurement_theta_min      3.6690
_cell_volume                     3672.2(3)
_computing_cell_refinement       'CrysAlisPro 1.171.38.41r (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41r (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41r (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_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0584
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.9839
_diffrn_measured_fraction_theta_max 0.8379
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -81.00   3.00   1.00    5.90    --  -13.48 -57.00 -90.00   84
  2  ω    -85.00  11.00   1.00    5.90    --  -13.48 -19.00   0.00   96
  3  ω    -19.00  24.00   1.00    5.90    --  -13.48 -99.00 150.00   43
  4  ω    -62.00  13.00   1.00    5.90    --  -13.48 -77.00  30.00   75
  5  ω    -50.00  37.00   1.00    5.90    --   14.49 -77.00 -90.00   87
  6  ω     -8.00  68.00   1.00    5.90    --   14.49   0.00 -90.00   76
  7  ω     -2.00  80.00   1.00    5.90    --   14.49  57.00 150.00   82
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0444807000
_diffrn_orient_matrix_UB_12      0.0134987000
_diffrn_orient_matrix_UB_13      0.0322666000
_diffrn_orient_matrix_UB_21      -0.0232026000
_diffrn_orient_matrix_UB_22      -0.0308860000
_diffrn_orient_matrix_UB_23      0.0217952000
_diffrn_orient_matrix_UB_31      0.0143384000
_diffrn_orient_matrix_UB_32      -0.0359519000
_diffrn_orient_matrix_UB_33      -0.0159313000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0710
_diffrn_reflns_av_unetI/netI     0.0977
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            42513
_diffrn_reflns_theta_full        26.0000
_diffrn_reflns_theta_max         28.45
_diffrn_reflns_theta_min         3.40
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    3.144
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.04576
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.41r (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.9355
_exptl_crystal_F_000             2032.8868
_refine_diff_density_max         3.5168
_refine_diff_density_min         -3.9414
_refine_diff_density_rms         0.3152
_refine_ls_d_res_high            0.7460
_refine_ls_d_res_low             5.9912
_refine_ls_goodness_of_fit_ref   0.9897
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     1107
_refine_ls_number_reflns         15521
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.9897
_refine_ls_R_factor_all          0.0880
_refine_ls_R_factor_gt           0.0599
_refine_ls_shift/su_max          10.5635
_refine_ls_shift/su_mean         0.2215
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1489
_refine_ls_wR_factor_ref         0.1738
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              18
_reflns_limit_h_min              -19
_reflns_limit_k_max              19
_reflns_limit_k_min              -19
_reflns_limit_l_max              23
_reflns_limit_l_min              0
_reflns_number_gt                11126
_reflns_number_total             15521
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            c9ra01574d2.cif
_cod_data_source_block           exp_81
_cod_database_code               7232835
_reflns_odcompleteness_completeness 99.75
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     25.13
_olex2_refinement_description    block
_olex2_date_sample_data_collection 2016-09-19
_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 6.737
_oxdiff_exptl_absorpt_empirical_full_min 0.211
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
Dy01 Dy 0.12848(3) 0.49406(2) 0.146741(18) 0.02371(11) Uani 1.000000
Dy02 Dy 0.85149(3) 1.18962(2) 0.790386(18) 0.02719(12) Uani 1.000000
Dy03 Dy 0.50733(3) 0.78982(2) 0.410296(19) 0.02743(12) Uani 1.000000
O004 O 0.2797(4) 0.8010(3) 0.1583(3) 0.0331(13) Uani 1.000000
O005 O -0.1501(4) 0.4929(4) -0.0225(3) 0.0323(12) Uani 1.000000
O006 O 0.2494(4) 0.7529(4) 0.3092(3) 0.0318(12) Uani 1.000000
O007 O 0.4233(4) 0.6487(4) 0.3256(3) 0.0348(13) Uani 1.000000
O008 O 0.1917(4) 0.6575(3) 0.1530(3) 0.0301(12) Uani 1.000000
O009 O 0.0013(4) 0.3629(3) 0.0884(3) 0.0345(13) Uani 1.000000
O00A O -0.0068(4) 0.5443(4) 0.0752(3) 0.0311(12) Uani 1.000000
O00B O 0.2815(4) 0.5491(4) 0.2494(3) 0.0329(12) Uani 1.000000
O00C O 0.9553(4) 1.2602(4) 0.9221(3) 0.0381(14) Uani 1.000000
F00D F 0.2825(4) 0.7748(4) 0.5440(3) 0.0563(15) Uani 1.000000
O00E O 0.0809(4) 0.5461(3) 0.2498(3) 0.0305(12) Uani 1.000000
O00F O 0.0401(4) 0.6756(3) 0.2297(3) 0.0310(12) Uani 1.000000
O00G O 0.3529(4) 0.7485(4) 0.4244(3) 0.0383(13) Uani 1.000000
O00H O 0.8791(4) 1.1424(4) 0.6752(3) 0.0361(13) Uani 1.000000
O00I O 0.4655(5) 0.9095(4) 0.3380(4) 0.0475(16) Uani 1.000000
O00J O 0.7113(4) 1.0537(4) 0.7238(3) 0.0355(13) Uani 1.000000
O00K O -0.1307(5) 0.2385(4) 0.0393(4) 0.0451(15) Uani 1.000000
F00L F 0.5116(4) 0.5538(4) 0.2214(3) 0.0586(15) Uani 1.000000
F00M F 1.0481(4) 1.1478(4) 0.6189(3) 0.0643(17) Uani 1.000000
F00N F 0.3396(4) 0.7532(4) 0.0197(3) 0.0573(15) Uani 1.000000
O00O O 0.6615(5) 1.0335(4) 0.5184(4) 0.0551(17) Uani 1.000000
F00P F -0.0683(4) 0.5499(4) 0.3468(3) 0.0643(16) Uani 1.000000
O00Q O 0.6586(5) 0.9025(4) 0.4512(3) 0.0439(15) Uani 1.000000
O00R O 0.5361(5) 0.8229(4) 0.2873(3) 0.0419(15) Uani 1.000000
F00S F -0.0378(5) 0.5867(5) 0.5042(3) 0.0761(19) Uani 1.000000
F00T F -0.2093(5) 0.5760(4) 0.1185(3) 0.0638(17) Uani 1.000000
N00U N 0.2342(5) 0.3927(4) 0.1297(3) 0.0307(15) Uani 1.000000
F00V F -0.2842(6) 0.3264(6) 0.2549(4) 0.100(3) Uani 1.000000
N00W N 0.1357(5) 0.3716(4) 0.2389(3) 0.0338(16) Uani 1.000000
O00X O 0.5029(5) 0.8912(4) 0.5200(3) 0.0448(15) Uani 1.000000
F00Y F -0.1833(5) 0.2409(4) 0.1892(4) 0.079(2) Uani 1.000000
F00Z F 0.1365(5) 0.7046(5) 0.6010(3) 0.0711(18) Uani 1.000000
C010 C 0.3627(6) 0.6090(5) 0.2596(4) 0.0277(17) Uani 1.000000
N011 N 0.6342(6) 0.7103(5) 0.4120(4) 0.0403(17) Uani 1.000000
F012 F 1.0835(5) 1.1530(5) 0.4808(3) 0.0774(19) Uani 1.000000
F013 F 0.9347(5) 1.0799(5) 0.3420(3) 0.087(2) Uani 1.000000
C014 C 0.2664(6) 0.7156(5) 0.1485(4) 0.0275(17) Uani 1.000000
N015 N 0.5345(5) 0.6936(5) 0.5196(4) 0.0357(16) Uani 1.000000
F016 F 0.5665(6) 0.5906(6) 0.0941(4) 0.093(3) Uani 1.000000
N017 N 0.8452(6) 1.0630(5) 0.8783(4) 0.048(2) Uani 1.000000
C018 C 0.3937(6) 0.6321(5) 0.1870(4) 0.0267(16) Uani 1.000000
O019 O 0.8173(6) 0.9876(4) 0.6458(4) 0.0577(19) Uani 1.000000
C01A C -0.0880(6) 0.3166(5) 0.0792(4) 0.0306(18) Uani 1.000000
F01B F 0.7505(5) 0.9985(5) 0.3430(3) 0.079(2) Uani 1.000000
C01C C 0.3475(6) 0.6828(5) 0.1340(4) 0.0288(17) Uani 1.000000
C01D C 0.0915(6) 0.6455(5) 0.3619(4) 0.0281(17) Uani 1.000000
C01E C 0.2684(6) 0.7381(5) 0.3792(4) 0.0292(17) Uani 1.000000
C01F C 0.2483(6) 0.3298(5) 0.1808(4) 0.0279(17) Uani 1.000000
N01G N 0.9981(7) 1.1288(6) 0.8206(4) 0.053(2) Uani 1.000000
C01H C 0.6465(6) 0.6473(5) 0.4626(4) 0.037(2) Uani 1.000000
F01I F 0.4787(6) 0.6890(6) -0.0085(4) 0.102(3) Uani 1.000000
C01J C 0.2854(7) 0.4037(6) 0.0788(5) 0.042(2) Uani 1.000000
C01K C 0.0695(6) 0.6212(5) 0.2726(4) 0.0281(17) Uani 1.000000
C01L C 0.1932(6) 0.3183(5) 0.2351(4) 0.0317(18) Uani 1.000000
C01M C -0.0971(6) 0.4988(5) 0.0470(4) 0.0258(17) Uani 1.000000
C01N C -0.1417(6) 0.3638(6) 0.1199(4) 0.0334(19) Uani 1.000000
C01O C 0.1850(6) 0.7022(5) 0.4117(4) 0.0288(17) Uani 1.000000
F01P F -0.2984(6) 0.4944(6) 0.2185(4) 0.093(2) Uani 1.000000
C01Q C 0.5068(7) 0.8925(6) 0.2892(5) 0.040(2) Uani 1.000000
C01R C 0.5932(7) 0.6397(5) 0.5194(4) 0.037(2) Uani 1.000000
C01S C 0.0829(7) 0.3578(6) 0.2882(5) 0.042(2) Uani 1.000000
C01T C 0.6980(6) 0.9858(6) 0.4847(5) 0.0362(19) Uani 1.000000
C01U C 0.7074(7) 0.5918(6) 0.4604(5) 0.046(2) Uani 1.000000
C01V C 0.7463(8) 0.6659(8) 0.3543(6) 0.059(3) Uani 1.000000
C01W C 0.0189(6) 0.6077(6) 0.3931(4) 0.0371(19) Uani 1.000000
C01X C 0.4857(8) 0.6857(7) 0.5719(5) 0.048(2) Uani 1.000000
C01Y C -0.1471(6) 0.4519(5) 0.1023(4) 0.0309(18) Uani 1.000000
C01Z C 0.8001(6) 1.0296(5) 0.4831(4) 0.0323(18) Uani 1.000000
C020 C 0.6831(7) 0.7198(6) 0.3601(5) 0.045(2) Uani 1.000000
C021 C 0.1978(7) 0.7197(6) 0.4934(4) 0.037(2) Uani 1.000000
C022 C -0.1878(8) 0.3242(7) 0.1714(5) 0.053(3) Uani 1.000000
C023 C 0.7548(8) 0.6000(7) 0.4034(6) 0.057(3) Uani 1.000000
C024 C 0.0339(7) 0.6265(7) 0.4739(5) 0.044(2) Uani 1.000000
C025 C 0.4679(7) 0.6042(6) 0.1733(5) 0.042(2) Uani 1.000000
C026 C 0.5522(8) 0.5691(6) 0.6260(5) 0.051(3) Uani 1.000000
C027 C 0.8219(7) 1.0351(7) 0.4120(5) 0.048(2) Uani 1.000000
C028 C 0.9157(8) 1.0749(7) 0.4108(5) 0.052(3) Uani 1.000000
C029 C -0.2411(8) 0.3680(9) 0.2040(6) 0.063(3) Uani 1.000000
C02A C 0.8772(7) 1.0695(5) 0.5535(5) 0.0344(19) Uani 1.000000
C02B C 0.1399(8) 0.2323(6) 0.3333(5) 0.046(2) Uani 1.000000
C02C C 0.3140(7) 0.2792(6) 0.1817(5) 0.039(2) Uani 1.000000
C02D C 0.0823(8) 0.2880(7) 0.3349(6) 0.053(3) Uani 1.000000
C02E C 0.9708(7) 1.1108(6) 0.5510(5) 0.040(2) Uani 1.000000
C02F C 0.9099(9) 1.0131(6) 0.8807(5) 0.059(3) Uani 1.000000
C02G C 0.8579(6) 1.0656(5) 0.6320(4) 0.0339(18) Uani 1.000000
C02H C 0.9896(7) 1.1135(7) 0.4800(5) 0.048(2) Uani 1.000000
C02I C 0.6048(7) 0.5768(6) 0.5739(5) 0.048(2) Uani 1.000000
C02J C 0.1228(8) 0.6858(7) 0.5230(5) 0.051(3) Uani 1.000000
C02K C 0.3548(9) 0.3566(7) 0.0768(6) 0.056(3) Uani 1.000000
C02L C 0.5281(7) 0.9625(8) 0.2352(7) 0.064(3) Uani 1.000000
C02M C 0.2028(7) 0.2489(6) 0.2843(4) 0.042(2) Uani 1.000000
C02N C 0.9901(9) 1.0482(7) 0.8486(5) 0.058(3) Uani 1.000000
C02O C 0.3695(8) 0.2951(7) 0.1272(6) 0.054(3) Uani 1.000000
C02P C 0.2654(8) 0.1949(6) 0.2795(5) 0.048(2) Uani 1.000000
C02Q C 0.3814(7) 0.7027(6) 0.0700(5) 0.043(2) Uani 1.000000
C02R C 0.7776(9) 1.0362(7) 0.9108(6) 0.062(3) Uani 1.000000
C02S C 1.1504(11) 1.1260(12) 0.7994(7) 0.097(5) Uani 1.000000
C02T C 1.1411(12) 1.0416(12) 0.8231(8) 0.090(5) Uani 1.000000
C02U C 1.0752(9) 1.1659(9) 0.7965(6) 0.071(3) Uani 1.000000
C02V C 1.0630(12) 1.0010(9) 0.8514(6) 0.089(5) Uani 1.000000
C02W C 0.3207(8) 0.2113(7) 0.2322(5) 0.051(3) Uani 1.000000
C02X C 0.4971(8) 0.6223(8) 0.1078(6) 0.062(3) Uani 1.000000
O02Y O 0.5744(9) 0.8809(9) 0.1579(5) 0.139(5) Uani 1.000000
C02Z C 0.4511(8) 0.6710(7) 0.0563(5) 0.053(3) Uani 1.000000
C030 C 0.5131(9) 1.0604(10) 0.2615(11) 0.123(7) Uani 1.000000
C031 C 0.5335(9) 1.2040(8) 0.2288(11) 0.124(7) Uani 1.000000
C032 C -0.2484(8) 0.4517(8) 0.1854(6) 0.056(3) Uani 1.000000
C033 C 0.6679(8) 0.5205(7) 0.5694(6) 0.055(3) Uani 1.000000
C034 C 0.4920(8) 0.6238(7) 0.6262(5) 0.057(3) Uani 1.000000
C035 C 0.7179(8) 0.5291(7) 0.5170(6) 0.055(3) Uani 1.000000
C036 C 0.8309(12) 0.9053(8) 0.9527(7) 0.086(5) Uani 1.000000
C037 C 0.7663(10) 0.9553(9) 0.9510(6) 0.081(4) Uani 1.000000
C038 C -0.2011(7) 0.4931(7) 0.1355(5) 0.045(2) Uani 1.000000
C039 C 0.6137(13) 0.9941(14) 0.0668(8) 0.145(7) Uani 1.000000
C03A C 0.9023(12) 0.9330(8) 0.9165(7) 0.092(5) Uani 1.000000
C03B C 0.5566(12) 1.1021(14) 0.1678(16) 0.250(16) Uani 1.000000
C03C C 0.5774(14) 0.990(2) 0.1461(17) 0.39(2) Uani 1.000000
C03D C 0.9736(13) 0.8804(8) 0.9138(8) 0.093(5) Uani 1.000000
C03E C 0.5899(10) 1.1672(13) 0.1029(10) 0.156(8) Uani 1.000000
C03F C 1.0476(15) 0.9158(10) 0.8836(9) 0.118(7) Uani 1.000000
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
C 0.00347 0.00161 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'
F 0.01794 0.01033 3.53920 2.64120 1.51700 1.02430 10.28250 4.29440 0.26150
26.14760 0.277599990368
'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 -0.09334 4.42894 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 0.01158 0.00611 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 0.00653 0.00323 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_1
_geom_angle_site_symmetry_3
O008 Dy01 O005 77.14(18) . 2_565
O009 Dy01 O005 88.03(19) . 2_565
O009 Dy01 O008 146.25(17) . .
O00A Dy01 O005 76.29(17) . 2_565
O00A Dy01 O008 73.20(18) . .
O00A Dy01 O009 73.90(18) . .
O00B Dy01 O005 110.82(19) . 2_565
O00B Dy01 O008 71.88(17) . .
O00B Dy01 O009 141.78(17) . .
O00B Dy01 O00A 141.44(17) . .
O00E Dy01 O005 150.04(17) . 2_565
O00E Dy01 O008 79.73(18) . .
O00E Dy01 O009 101.1(2) . .
O00E Dy01 O00A 78.99(17) . .
O00E Dy01 O00B 79.20(19) . .
N00U Dy01 O005 73.18(17) . 2_565
N00U Dy01 O008 119.1(2) . .
N00U Dy01 O009 84.1(2) . .
N00U Dy01 O00A 142.70(17) . .
N00U Dy01 O00B 71.09(19) . .
N00U Dy01 O00E 135.68(17) . .
N00W Dy01 O005 134.32(18) . 2_565
N00W Dy01 O008 139.23(19) . .
N00W Dy01 O009 71.1(2) . .
N00W Dy01 O00A 131.0(2) . .
N00W Dy01 O00B 72.1(2) . .
N00W Dy01 O00E 75.32(18) . .
N00W Dy01 N00U 64.8(2) . .
O006 Dy02 O004 76.42(17) 2_676 2_676
O008 Dy02 O004 49.23(16) 2_676 2_676
O008 Dy02 O006 66.05(16) 2_676 2_676
O00C Dy02 O004 83.92(19) . 2_676
O00C Dy02 O006 130.94(17) . 2_676
O00C Dy02 O008 67.05(16) . 2_676
O00F Dy02 O004 120.72(17) 2_676 2_676
O00F Dy02 O006 75.53(18) 2_676 2_676
O00F Dy02 O008 71.72(16) 2_676 2_676
O00F Dy02 O00C 77.03(18) 2_676 .
O00H Dy02 O004 141.67(19) . 2_676
O00H Dy02 O006 75.61(18) . 2_676
O00H Dy02 O008 134.74(17) . 2_676
O00H Dy02 O00C 134.4(2) . .
O00H Dy02 O00F 76.28(18) . 2_676
O00J Dy02 O004 73.15(18) . 2_676
O00J Dy02 O006 76.45(18) . 2_676
O00J Dy02 O008 115.86(17) . 2_676
O00J Dy02 O00C 138.96(19) . .
O00J Dy02 O00F 144.00(16) . 2_676
O00J Dy02 O00H 75.20(19) . .
C014 Dy02 O004 24.52(19) 2_676 2_676
C014 Dy02 O006 67.29(18) 2_676 2_676
C014 Dy02 O008 24.89(17) 2_676 2_676
C014 Dy02 O00C 76.26(19) 2_676 .
C014 Dy02 O00F 96.21(19) 2_676 2_676
C014 Dy02 O00H 142.83(19) 2_676 .
C014 Dy02 O00J 93.4(2) 2_676 .
N017 Dy02 O004 77.8(2) . 2_676
N017 Dy02 O006 142.4(2) . 2_676
N017 Dy02 O008 114.1(2) . 2_676
N017 Dy02 O00C 72.0(2) . .
N017 Dy02 O00F 141.8(2) . 2_676
N017 Dy02 O00H 110.9(2) . .
N017 Dy02 O00J 70.2(2) . .
N017 Dy02 C014 97.5(2) . 2_676
N01G Dy02 O004 140.4(2) . 2_676
N01G Dy02 O006 142.7(2) . 2_676
N01G Dy02 O008 136.9(2) . 2_676
N01G Dy02 O00C 72.7(2) . .
N01G Dy02 O00F 85.1(3) . 2_676
N01G Dy02 O00H 68.8(2) . .
N01G Dy02 O00J 104.3(2) . .
N01G Dy02 C014 147.8(2) . 2_676
N01G Dy02 N017 64.9(3) . .
O00G Dy03 O007 75.7(2) . .
O00I Dy03 O007 106.91(19) . .
O00I Dy03 O00G 88.6(2) . .
O00Q Dy03 O007 140.5(2) . .
O00Q Dy03 O00G 143.8(2) . .
O00Q Dy03 O00I 80.3(2) . .
O00R Dy03 O007 77.09(19) . .
O00R Dy03 O00G 123.2(2) . .
O00R Dy03 O00I 54.0(2) . .
O00R Dy03 O00Q 76.7(2) . .
O00X Dy03 O007 143.4(2) . .
O00X Dy03 O00G 69.0(2) . .
O00X Dy03 O00I 81.8(2) . .
O00X Dy03 O00Q 75.4(2) . .
O00X Dy03 O00R 130.86(19) . .
N011 Dy03 O007 74.3(2) . .
N011 Dy03 O00G 135.7(2) . .
N011 Dy03 O00I 131.1(2) . .
N011 Dy03 O00Q 72.5(2) . .
N011 Dy03 O00R 80.3(2) . .
N011 Dy03 O00X 126.9(2) . .
N015 Dy03 O007 85.86(19) . .
N015 Dy03 O00G 80.4(2) . .
N015 Dy03 O00I 160.6(2) . .
N015 Dy03 O00Q 99.4(2) . .
N015 Dy03 O00R 145.1(2) . .
N015 Dy03 O00X 79.3(2) . .
N015 Dy03 N011 65.7(2) . .
C01Q Dy03 O007 94.2(2) . .
C01Q Dy03 O00G 108.9(2) . .
C01Q Dy03 O00I 27.1(2) . .
C01Q Dy03 O00Q 74.6(2) . .
C01Q Dy03 O00R 27.1(2) . .
C01Q Dy03 O00X 105.7(2) . .
C01Q Dy03 N011 105.1(3) . .
C01Q Dy03 N015 170.5(3) . .
C014 O004 Dy02 101.8(5) . 2_676
C01M O005 Dy01 137.2(5) . 2_565
C01E O006 Dy02 145.1(5) . 2_676
C010 O007 Dy03 145.8(5) . .
Dy02 O008 Dy01 134.8(2) 2_676 .
C014 O008 Dy01 138.9(5) . .
C014 O008 Dy02 85.0(4) . 2_676
C01A O009 Dy01 147.0(5) . .
C01M O00A Dy01 129.1(4) . .
C010 O00B Dy01 135.7(4) . .
C01K O00E Dy01 134.4(5) . .
C01K O00F Dy02 122.4(5) . 2_676
C01E O00G Dy03 134.4(5) . .
C02G O00H Dy02 135.1(5) . .
C01Q O00I Dy03 91.2(5) . .
C01T O00Q Dy03 139.7(6) . .
C01Q O00R Dy03 91.5(5) . .
C01F N00U Dy01 119.1(5) . .
C01J N00U Dy01 123.2(5) . .
C01J N00U C01F 117.4(7) . .
C01L N00W Dy01 118.2(5) . .
C01S N00W Dy01 122.4(5) . .
C01S N00W C01L 119.4(7) . .
O00B C010 O007 124.7(7) . .
C018 C010 O007 116.6(7) . .
C018 C010 O00B 118.6(6) . .
C01H N011 Dy03 119.2(6) . .
C020 N011 Dy03 122.1(6) . .
C020 N011 C01H 118.3(8) . .
O004 C014 Dy02 53.7(4) . 2_676
O008 C014 Dy02 70.1(4) . 2_676
O008 C014 O004 123.1(7) . .
C01C C014 Dy02 165.8(5) . 2_676
C01C C014 O004 117.7(7) . .
C01C C014 O008 119.1(6) . .
C01R N015 Dy03 118.1(5) . .
C01X N015 Dy03 122.9(6) . .
C01X N015 C01R 118.6(7) . .
C02F N017 Dy02 116.7(7) . .
C02R N017 Dy02 123.6(7) . .
C02R N017 C02F 119.0(9) . .
C01C C018 C010 120.9(6) . .
C025 C018 C010 119.9(6) . .
C025 C018 C01C 119.2(7) . .
O00K C01A O009 124.1(8) . .
C01N C01A O009 115.9(7) . .
C01N C01A O00K 120.0(8) . .
C018 C01C C014 120.2(6) . .
C02Q C01C C014 122.3(7) . .
C02Q C01C C018 117.5(7) . .
C01O C01D C01K 121.5(7) . .
C01W C01D C01K 117.9(7) . .
C01W C01D C01O 120.6(7) . .
O00G C01E O006 124.2(8) . .
C01O C01E O006 119.0(7) . .
C01O C01E O00G 116.7(6) . .
C01L C01F N00U 117.1(7) . .
C02C C01F N00U 123.0(7) . .
C02C C01F C01L 120.0(7) . .
C02N N01G Dy02 118.7(8) . .
C02U N01G Dy02 121.3(7) . .
C02U N01G C02N 119.0(10) . .
C01R C01H N011 116.8(7) . .
C01U C01H N011 122.6(8) . .
C01U C01H C01R 120.6(8) . .
C02K C01J N00U 123.3(8) . .
O00F C01K O00E 126.6(6) . .
C01D C01K O00E 115.6(6) . .
C01D C01K O00F 117.8(6) . .
C01F C01L N00W 120.5(6) . .
C02M C01L N00W 122.5(7) . .
C02M C01L C01F 117.0(7) . .
O00A C01M O005 125.3(7) . .
C01Y C01M O005 116.7(7) . .
C01Y C01M O00A 118.0(6) . .
C01Y C01N C01A 118.0(7) . .
C022 C01N C01A 123.2(8) . .
C022 C01N C01Y 118.8(8) . .
C01E C01O C01D 121.3(6) . .
C021 C01O C01D 117.0(7) . .
C021 C01O C01E 121.7(7) . .
O00I C01Q Dy03 61.6(4) . .
O00R C01Q Dy03 61.4(4) . .
O00R C01Q O00I 122.3(8) . .
C02L C01Q Dy03 167.3(6) . .
C02L C01Q O00I 118.2(8) . .
C02L C01Q O00R 119.4(9) . .
C01H C01R N015 119.2(7) . .
C02I C01R N015 121.7(8) . .
C02I C01R C01H 119.0(8) . .
C02D C01S N00W 122.5(8) . .
O00Q C01T O00O 127.0(9) . .
C01Z C01T O00O 118.0(8) . .
C01Z C01T O00Q 114.9(7) . .
C023 C01U C01H 118.3(8) . .
C035 C01U C01H 118.8(9) . .
C035 C01U C023 122.9(9) . .
C023 C01V C020 118.7(9) . .
C01D C01W F00P 120.8(7) . .
C024 C01W F00P 118.2(8) . .
C024 C01W C01D 121.0(8) . .
C034 C01X N015 122.8(9) . .
C01N C01Y C01M 121.0(7) . .
C038 C01Y C01M 120.6(7) . .
C038 C01Y C01N 118.4(7) . .
C027 C01Z C01T 122.1(7) . .
C02A C01Z C01T 120.3(7) . .
C02A C01Z C027 117.6(8) . .
C01V C020 N011 122.4(9) . .
C01O C021 F00D 120.9(8) . .
C02J C021 F00D 117.3(7) . .
C02J C021 C01O 121.7(8) . .
C01N C022 F00Y 119.7(9) . .
C029 C022 F00Y 119.3(9) . .
C029 C022 C01N 121.0(9) . .
C01V C023 C01U 119.6(9) . .
C01W C024 F00S 120.3(8) . .
C02J C024 F00S 120.2(8) . .
C02J C024 C01W 119.5(8) . .
C018 C025 F00L 120.7(7) . .
C02X C025 F00L 117.4(8) . .
C02X C025 C018 121.7(7) . .
C034 C026 C02I 120.1(9) . .
C01Z C027 F01B 119.7(9) . .
C028 C027 F01B 118.4(8) . .
C028 C027 C01Z 121.9(8) . .
C027 C028 F013 120.8(9) . .
C02H C028 F013 119.5(9) . .
C02H C028 C027 119.7(8) . .
C022 C029 F00V 118.6(10) . .
C032 C029 F00V 121.2(10) . .
C032 C029 C022 120.2(9) . .
C02E C02A C01Z 119.7(7) . .
C02G C02A C01Z 119.9(8) . .
C02G C02A C02E 120.4(8) . .
C02M C02B C02D 118.9(8) . .
C02O C02C C01F 117.7(7) . .
C02W C02C C01F 120.3(8) . .
C02W C02C C02O 121.9(8) . .
C02B C02D C01S 120.2(9) . .
C02A C02E F00M 121.0(7) . .
C02H C02E F00M 117.9(8) . .
C02H C02E C02A 121.0(8) . .
C02N C02F N017 118.2(9) . .
C03A C02F N017 121.3(13) . .
C03A C02F C02N 120.4(11) . .
O019 C02G O00H 126.1(7) . .
C02A C02G O00H 116.5(7) . .
C02A C02G O019 117.3(7) . .
C028 C02H F012 121.1(8) . .
C02E C02H F012 118.7(9) . .
C02E C02H C028 120.2(9) . .
C026 C02I C01R 118.2(9) . .
C033 C02I C01R 118.6(9) . .
C033 C02I C026 123.1(9) . .
C021 C02J F00Z 120.5(9) . .
C024 C02J F00Z 119.3(9) . .
C024 C02J C021 120.1(7) . .
C02O C02K C01J 119.6(8) . .
C030 C02L C01Q 112.8(10) . .
C03C C02L C01Q 145.7(12) . .
C03C C02L C030 101.3(11) . .
C02B C02M C01L 116.2(8) . .
C02P C02M C01L 121.0(8) . .
C02P C02M C02B 122.6(8) . .
C02F C02N N01G 117.9(9) . .
C02V C02N N01G 120.7(13) . .
C02V C02N C02F 121.3(11) . .
C02K C02O C02C 119.0(8) . .
C02W C02P C02M 120.6(8) . .
C01C C02Q F00N 118.2(7) . .
C02Z C02Q F00N 119.9(7) . .
C02Z C02Q C01C 121.9(8) . .
C037 C02R N017 123.1(11) . .
C02U C02S C02T 118.4(15) . .
C02V C02T C02S 119.8(13) . .
C02S C02U N01G 123.8(13) . .
C02T C02V C02N 118.1(13) . .
C03F C02V C02N 115.7(16) . .
C03F C02V C02T 126.2(14) . .
C02P C02W C02C 120.9(8) . .
C025 C02X F016 120.3(9) . .
C02Z C02X F016 121.1(9) . .
C02Z C02X C025 118.5(8) . .
C02Q C02Z F01I 119.7(8) . .
C02X C02Z F01I 119.2(8) . .
C02X C02Z C02Q 121.1(8) . .
C029 C032 F01P 119.7(9) . .
C038 C032 F01P 120.8(10) . .
C038 C032 C029 119.4(9) . .
C035 C033 C02I 121.7(9) . .
C026 C034 C01X 118.5(9) . .
C033 C035 C01U 121.2(9) . .
C03A C036 C037 119.4(11) . .
C036 C037 C02R 117.5(12) . .
C01Y C038 F00T 119.9(8) . .
C032 C038 F00T 118.1(8) . .
C032 C038 C01Y 122.1(8) . .
C036 C03A C02F 119.6(14) . .
C03D C03A C02F 117.9(15) . .
C03D C03A C036 122.5(13) . .
C03E C03B C031 94.2(12) . .
O02Y C03C C02L 72.8(18) . .
C039 C03C C02L 170(2) . .
C039 C03C O02Y 98.0(13) . .
C03F C03D C03A 119.5(12) . .
C03D C03F C02V 124.7(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy01 O005 2.342(5) 2_565
Dy01 O008 2.379(5) .
Dy01 O009 2.265(5) .
Dy01 O00A 2.409(5) .
Dy01 O00B 2.366(5) .
Dy01 O00E 2.318(5) .
Dy01 N00U 2.553(6) .
Dy01 N00W 2.569(6) .
Dy02 O004 2.422(5) 2_676
Dy02 O006 2.365(5) 2_676
Dy02 O008 2.776(5) 2_676
Dy02 O00C 2.390(5) .
Dy02 O00F 2.351(5) 2_676
Dy02 O00H 2.313(5) .
Dy02 O00J 2.426(6) .
Dy02 C014 2.941(8) 2_676
Dy02 N017 2.561(7) .
Dy02 N01G 2.541(8) .
Dy03 O007 2.328(5) .
Dy03 O00G 2.308(6) .
Dy03 O00I 2.418(5) .
Dy03 O00Q 2.302(6) .
Dy03 O00R 2.413(5) .
Dy03 O00X 2.433(5) .
Dy03 N011 2.509(7) .
Dy03 N015 2.523(6) .
Dy03 C01Q 2.748(8) .
O004 C014 1.247(8) .
O005 C01M 1.247(8) .
O006 C01E 1.250(8) .
O007 C010 1.247(8) .
O008 C014 1.242(9) .
O009 C01A 1.280(10) .
O00A C01M 1.262(9) .
O00B C010 1.253(10) .
F00D C021 1.329(9) .
O00E C01K 1.256(8) .
O00F C01K 1.247(8) .
O00G C01E 1.247(9) .
O00H C02G 1.259(9) .
O00I C01Q 1.254(10) .
O00K C01A 1.234(9) .
F00L C025 1.340(9) .
F00M C02E 1.363(10) .
F00N C02Q 1.349(9) .
O00O C01T 1.237(10) .
F00P C01W 1.340(10) .
O00Q C01T 1.258(10) .
O00R C01Q 1.252(10) .
F00S C024 1.348(10) .
F00T C038 1.345(10) .
N00U C01F 1.381(9) .
N00U C01J 1.334(10) .
F00V C029 1.351(11) .
N00W C01L 1.345(10) .
N00W C01S 1.329(10) .
F00Y C022 1.339(11) .
F00Z C02J 1.345(9) .
C010 C018 1.526(10) .
N011 C01H 1.372(10) .
N011 C020 1.326(11) .
F012 C02H 1.359(11) .
F013 C028 1.340(9) .
C014 C01C 1.511(11) .
N015 C01R 1.355(10) .
N015 C01X 1.331(11) .
F016 C02X 1.330(11) .
N017 C02F 1.378(13) .
N017 C02R 1.289(13) .
C018 C01C 1.408(10) .
C018 C025 1.368(11) .
O019 C02G 1.248(9) .
C01A C01N 1.505(11) .
F01B C027 1.335(10) .
C01C C02Q 1.394(11) .
C01D C01K 1.528(10) .
C01D C01O 1.412(11) .
C01D C01W 1.362(11) .
C01E C01O 1.504(11) .
C01F C01L 1.431(11) .
C01F C02C 1.402(11) .
N01G C02N 1.340(12) .
N01G C02U 1.336(15) .
C01H C01R 1.450(12) .
C01H C01U 1.407(12) .
F01I C02Z 1.354(10) .
C01J C02K 1.420(13) .
C01L C02M 1.429(10) .
C01M C01Y 1.501(10) .
C01N C01Y 1.415(11) .
C01N C022 1.374(12) .
C01O C021 1.412(10) .
F01P C032 1.340(11) .
C01Q C02L 1.513(12) .
C01R C02I 1.419(11) .
C01S C02D 1.392(11) .
C01T C01Z 1.494(12) .
C01U C023 1.390(14) .
C01U C035 1.440(12) .
C01V C020 1.429(14) .
C01V C023 1.382(14) .
C01W C024 1.390(10) .
C01X C034 1.397(12) .
C01Y C038 1.377(11) .
C01Z C027 1.398(11) .
C01Z C02A 1.396(11) .
C021 C02J 1.362(13) .
C022 C029 1.385(14) .
C024 C02J 1.378(13) .
C025 C02X 1.379(13) .
C026 C02I 1.369(14) .
C026 C034 1.385(14) .
C027 C028 1.369(13) .
C028 C02H 1.357(13) .
C029 C032 1.361(15) .
C02A C02E 1.380(12) .
C02A C02G 1.508(10) .
C02B C02D 1.369(13) .
C02B C02M 1.443(13) .
C02C C02O 1.440(12) .
C02C C02W 1.420(11) .
C02E C02H 1.375(11) .
C02F C02N 1.459(17) .
C02F C03A 1.404(15) .
C02I C033 1.453(14) .
C02K C02O 1.358(12) .
C02L C030 1.62(2) .
C02L C03C 1.96(4) .
C02M C02P 1.419(12) .
C02N C02V 1.453(15) .
C02P C02W 1.330(14) .
C02Q C02Z 1.336(12) .
C02R C037 1.458(14) .
C02S C02T 1.36(2) .
C02S C02U 1.408(15) .
C02T C02V 1.41(2) .
C02V C03F 1.44(2) .
C02X C02Z 1.370(13) .
O02Y C03C 1.68(3) .
C031 C03B 1.99(4) .
C032 C038 1.370(13) .
C033 C035 1.344(15) .
C036 C037 1.38(2) .
C036 C03A 1.38(2) .
C039 C03C 1.65(4) .
C03A C03D 1.51(2) .
C03B C03E 1.67(2) .
C03D C03F 1.36(2) .
