#------------------------------------------------------------------------------
#$Date: 2022-03-16 01:59:28 +0200 (Wed, 16 Mar 2022) $
#$Revision: 273709 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/97/7709760.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_7709760
loop_
_publ_author_name
'Jiao, Yushu'
'Sanz, Sergio'
'Izarova, Natalya V.'
'van Leusen, Jan'
'Sarwar, Sidra'
'Dalgarno, Scott'
'Brechin, Euan K.'
'Kögerler, Paul'
_publ_section_title
;
 Hybrid lanthanide double-deckers based on calixarene and polyoxometalate
 units
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT00769J
_journal_year                    2022
_chemical_formula_sum            'C83 H144 Cl2 Dy Mo5 N3 O22'
_chemical_formula_weight         2249.10
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-01-19 deposited with the CCDC.	2022-03-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.1740(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   67.0340(6)
_cell_length_b                   12.53920(10)
_cell_length_c                   23.4462(2)
_cell_measurement_reflns_used    45858
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.5220
_cell_measurement_theta_min      3.4440
_cell_volume                     19189.1(3)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.4623
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0764
_diffrn_reflns_av_unetI/netI     0.0353
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       79
_diffrn_reflns_limit_h_min       -79
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            172457
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         3.207
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    1.525
_exptl_absorpt_correction_T_max  0.921
_exptl_absorpt_correction_T_min  0.429
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.557
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             9192
_exptl_crystal_size_max          0.416
_exptl_crystal_size_mid          0.107
_exptl_crystal_size_min          0.074
_refine_diff_density_max         1.720
_refine_diff_density_min         -1.576
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1045
_refine_ls_number_reflns         16905
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0499
_refine_ls_R_factor_gt           0.0388
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0237P)²+175.4798P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0835
_refine_ls_wR_factor_ref         0.0902
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14508
_reflns_number_total             16905
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt00769j2.cif
_cod_data_source_block           dy_a
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7709760
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.570
_shelx_estimated_absorpt_t_max   0.896
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.62703(2) 0.26606(2) 0.58464(2) 0.01532(6) Uani 1 1 d . . . . .
Mo1 Mo 0.71370(2) 0.22641(3) 0.61290(2) 0.02382(10) Uani 1 1 d . . . . .
Mo2 Mo 0.67902(2) 0.41589(3) 0.63285(2) 0.01843(9) Uani 1 1 d . . . . .
Mo3 Mo 0.67778(2) 0.18259(3) 0.69328(2) 0.01978(9) Uani 1 1 d . . . . .
Mo4 Mo 0.67119(2) 0.07161(3) 0.56610(2) 0.02029(9) Uani 1 1 d . . . . .
Mo5 Mo 0.67224(2) 0.30250(3) 0.50626(2) 0.01892(9) Uani 1 1 d . . . . .
O1C O 0.68153(4) 0.2389(2) 0.60138(13) 0.0186(7) Uani 1 1 d . . . . .
N1N N 0.74063(6) 0.2187(3) 0.62366(18) 0.0283(9) Uani 1 1 d . . . . .
O1N O 0.75899(5) 0.2142(3) 0.63159(17) 0.0417(10) Uani 1 1 d . . . . .
O12 O 0.71212(5) 0.3782(3) 0.63988(14) 0.0236(7) Uani 1 1 d . . . . .
O13 O 0.71128(5) 0.1784(3) 0.69225(14) 0.0257(7) Uani 1 1 d . . . . .
O14 O 0.70605(5) 0.0805(2) 0.58201(14) 0.0258(7) Uani 1 1 d . . . . .
O15 O 0.70682(5) 0.2803(3) 0.53030(14) 0.0257(7) Uani 1 1 d . . . . .
C12M C 0.72777(9) 0.4365(5) 0.6758(3) 0.0552(19) Uani 1 1 d . . . . .
H12A H 0.722779 0.508128 0.681879 0.083 Uiso 1 1 calc R U . . .
H12B H 0.732121 0.400390 0.713704 0.083 Uiso 1 1 calc R U . . .
H12C H 0.739415 0.441956 0.657200 0.083 Uiso 1 1 calc R U . . .
C13M C 0.72668(9) 0.1490(7) 0.7404(3) 0.066(2) Uani 1 1 d . . . . .
H13A H 0.720525 0.129326 0.773077 0.099 Uiso 1 1 calc R U . . .
H13B H 0.734246 0.087929 0.729963 0.099 Uiso 1 1 calc R U . . .
H13C H 0.736085 0.209008 0.752127 0.099 Uiso 1 1 calc R U . . .
C14M C 0.71830(10) 0.0097(5) 0.5615(4) 0.069(2) Uani 1 1 d . . . . .
H14A H 0.710622 -0.055999 0.549068 0.103 Uiso 1 1 calc R U . . .
H14B H 0.722690 0.041160 0.528119 0.103 Uiso 1 1 calc R U . . .
H14C H 0.730355 -0.006700 0.592681 0.103 Uiso 1 1 calc R U . . .
C15M C 0.72007(8) 0.3456(5) 0.5056(2) 0.0380(13) Uani 1 1 d . . . . .
H15A H 0.713488 0.361936 0.464788 0.057 Uiso 1 1 calc R U . . .
H15B H 0.722885 0.412057 0.527973 0.057 Uiso 1 1 calc R U . . .
H15C H 0.732965 0.307656 0.507083 0.057 Uiso 1 1 calc R U . . .
O2T O 0.68469(5) 0.5419(3) 0.65863(15) 0.0286(8) Uani 1 1 d . . . . .
O3T O 0.68307(5) 0.1363(3) 0.76352(14) 0.0303(8) Uani 1 1 d . . . . .
O4T O 0.67176(5) -0.0560(3) 0.54147(15) 0.0290(8) Uani 1 1 d . . . . .
O5T O 0.67343(5) 0.3471(3) 0.43865(14) 0.0272(8) Uani 1 1 d . . . . .
O23 O 0.68404(5) 0.3319(2) 0.70255(13) 0.0221(7) Uani 1 1 d . . . . .
O25 O 0.68031(5) 0.4274(2) 0.55216(13) 0.0223(7) Uani 1 1 d . . . . .
O34 O 0.67863(5) 0.0541(2) 0.64926(14) 0.0216(7) Uani 1 1 d . . . . .
O45 O 0.67381(5) 0.1517(2) 0.49782(13) 0.0213(7) Uani 1 1 d . . . . .
O5 O 0.65243(5) 0.4046(2) 0.61773(12) 0.0184(6) Uani 1 1 d . . . . .
O6 O 0.65148(5) 0.2004(2) 0.67222(12) 0.0192(7) Uani 1 1 d . . . . .
O7 O 0.64571(5) 0.1039(2) 0.56186(13) 0.0208(7) Uani 1 1 d . . . . .
O8 O 0.64650(5) 0.3069(2) 0.50937(12) 0.0190(7) Uani 1 1 d . . . . .
O1 O 0.62108(4) 0.3595(2) 0.67647(12) 0.0164(6) Uani 1 1 d . . . . .
O2 O 0.60585(4) 0.1638(2) 0.61192(12) 0.0180(6) Uani 1 1 d . . . . .
O3 O 0.60709(4) 0.1775(2) 0.49192(12) 0.0168(6) Uani 1 1 d . . . . .
O4 O 0.60656(4) 0.3913(2) 0.54749(12) 0.0173(6) Uani 1 1 d . . . . .
C1L C 0.63617(7) 0.3996(4) 0.72517(18) 0.0209(10) Uani 1 1 d . . . . .
H1MA H 0.649832 0.391342 0.717310 0.031 Uiso 1 1 calc R U . . .
H1MB H 0.633547 0.475281 0.730952 0.031 Uiso 1 1 calc R U . . .
H1MC H 0.635455 0.359626 0.760563 0.031 Uiso 1 1 calc R U . . .
C3L C 0.61563(7) 0.1351(3) 0.44589(19) 0.0192(9) Uani 1 1 d . . . . .
H3MA H 0.630579 0.142256 0.456604 0.029 Uiso 1 1 calc R U . . .
H3MB H 0.611969 0.059575 0.440041 0.029 Uiso 1 1 calc R U . . .
H3MC H 0.610183 0.174465 0.409574 0.029 Uiso 1 1 calc R U . . .
C12C C 0.60510(7) 0.1857(3) 0.73157(18) 0.0183(9) Uani 1 1 d . . . . .
H12G H 0.619253 0.193478 0.726187 0.022 Uiso 1 1 calc R U . . .
H12H H 0.605889 0.168508 0.773238 0.022 Uiso 1 1 calc R U . . .
C23C C 0.58838(7) -0.0046(3) 0.53676(17) 0.0159(9) Uani 1 1 d . . . . .
H23D H 0.603120 0.002525 0.537123 0.019 Uiso 1 1 calc R U . . .
H23E H 0.584008 -0.076979 0.522183 0.019 Uiso 1 1 calc R U . . .
C34C C 0.58299(7) 0.3545(3) 0.43244(18) 0.0166(9) Uani 1 1 d . . . . .
H34A H 0.577464 0.374482 0.390996 0.020 Uiso 1 1 calc R U . . .
H34B H 0.598061 0.348108 0.438788 0.020 Uiso 1 1 calc R U . . .
C41C C 0.59711(7) 0.5428(3) 0.62819(17) 0.0177(9) Uani 1 1 d . . . . .
H41D H 0.595408 0.615470 0.642936 0.021 Uiso 1 1 calc R U . . .
H41E H 0.611840 0.531581 0.629770 0.021 Uiso 1 1 calc R U . . .
C11 C 0.60132(6) 0.3701(3) 0.68626(17) 0.0157(9) Uani 1 1 d . . . . .
C12 C 0.59364(7) 0.2898(3) 0.71615(17) 0.0163(9) Uani 1 1 d . . . . .
C13 C 0.57461(7) 0.3053(3) 0.72919(18) 0.0182(9) Uani 1 1 d . . . . .
H10G H 0.569274 0.250735 0.749572 0.022 Uiso 1 1 calc R U . . .
C14 C 0.56309(7) 0.3971(3) 0.71370(18) 0.0175(9) Uani 1 1 d . . . . .
C15 C 0.57101(7) 0.4729(4) 0.68117(18) 0.0183(9) Uani 1 1 d . . . . .
H10H H 0.563179 0.535153 0.668475 0.022 Uiso 1 1 calc R U . . .
C16 C 0.58981(7) 0.4612(3) 0.66662(17) 0.0157(9) Uani 1 1 d . . . . .
C17 C 0.54300(7) 0.4172(4) 0.73250(19) 0.0215(10) Uani 1 1 d . . . . .
C18 C 0.54747(7) 0.4990(4) 0.7828(2) 0.0260(11) Uani 1 1 d . . . . .
H10A H 0.534860 0.513662 0.795842 0.039 Uiso 1 1 calc R U . . .
H10B H 0.557847 0.470128 0.815503 0.039 Uiso 1 1 calc R U . . .
H10C H 0.552549 0.565220 0.768982 0.039 Uiso 1 1 calc R U . . .
C19 C 0.53422(8) 0.3162(4) 0.7543(2) 0.0293(11) Uani 1 1 d . . . . .
H10D H 0.521417 0.333654 0.765679 0.044 Uiso 1 1 calc R U . . .
H10E H 0.531511 0.262899 0.722887 0.044 Uiso 1 1 calc R U . . .
H10F H 0.544109 0.287510 0.788154 0.044 Uiso 1 1 calc R U . . .
C110 C 0.52662(7) 0.4644(4) 0.6820(2) 0.0285(11) Uani 1 1 d . . . . .
H11A H 0.513955 0.476414 0.695279 0.043 Uiso 1 1 calc R U . . .
H11B H 0.531517 0.532237 0.669609 0.043 Uiso 1 1 calc R U . . .
H11C H 0.523937 0.414465 0.648972 0.043 Uiso 1 1 calc R U . . .
C21 C 0.59546(6) 0.0913(3) 0.63402(18) 0.0159(9) Uani 1 1 d . . . . .
C22 C 0.58570(6) 0.0058(3) 0.59939(18) 0.0173(9) Uani 1 1 d . . . . .
C23 C 0.57473(7) -0.0684(3) 0.62379(18) 0.0172(9) Uani 1 1 d . . . . .
H20G H 0.568047 -0.124816 0.599835 0.021 Uiso 1 1 calc R U . . .
C24 C 0.57310(7) -0.0636(3) 0.68197(19) 0.0181(9) Uani 1 1 d . . . . .
C25 C 0.58339(7) 0.0198(3) 0.71575(18) 0.0163(9) Uani 1 1 d . . . . .
H20H H 0.582752 0.024468 0.755735 0.020 Uiso 1 1 calc R U . . .
C26 C 0.59450(7) 0.0960(3) 0.69348(18) 0.0162(9) Uani 1 1 d . . . . .
C27 C 0.56075(7) -0.1425(4) 0.71007(19) 0.0238(10) Uani 1 1 d . . . . .
C28 C 0.55008(8) -0.2267(4) 0.6672(2) 0.0276(11) Uani 1 1 d . . . . .
H20A H 0.560321 -0.266979 0.652177 0.041 Uiso 1 1 calc R U . . .
H20B H 0.542479 -0.275303 0.687154 0.041 Uiso 1 1 calc R U . . .
H20C H 0.540562 -0.191954 0.634491 0.041 Uiso 1 1 calc R U . . .
C29 C 0.54421(10) -0.0818(5) 0.7322(3) 0.0484(17) Uani 1 1 d . . . . .
H20D H 0.550647 -0.026775 0.760046 0.073 Uiso 1 1 calc R U . . .
H20E H 0.534740 -0.048226 0.699023 0.073 Uiso 1 1 calc R U . . .
H20F H 0.536657 -0.131575 0.751686 0.073 Uiso 1 1 calc R U . . .
C210 C 0.57505(10) -0.1990(5) 0.7613(3) 0.058(2) Uani 1 1 d . . . . .
H21A H 0.582074 -0.145840 0.789495 0.086 Uiso 1 1 calc R U . . .
H21B H 0.567031 -0.246607 0.780595 0.086 Uiso 1 1 calc R U . . .
H21C H 0.585198 -0.240701 0.746704 0.086 Uiso 1 1 calc R U . . .
C31 C 0.58553(7) 0.1685(3) 0.47795(17) 0.0172(9) Uani 1 1 d . . . . .
C32 C 0.57408(7) 0.2479(3) 0.44464(17) 0.0141(9) Uani 1 1 d . . . . .
C33 C 0.55319(7) 0.2296(3) 0.42277(17) 0.0158(9) Uani 1 1 d . . . . .
H30H H 0.545246 0.283120 0.399352 0.019 Uiso 1 1 calc R U . . .
C34 C 0.54354(7) 0.1366(3) 0.43379(18) 0.0171(9) Uani 1 1 d . . . . .
C35 C 0.55559(7) 0.0626(3) 0.47185(18) 0.0169(9) Uani 1 1 d . . . . .
H30G H 0.549190 0.000473 0.482531 0.020 Uiso 1 1 calc R U . . .
C36 C 0.57647(7) 0.0768(3) 0.49448(17) 0.0154(9) Uani 1 1 d . . . . .
C37 C 0.52108(7) 0.1123(4) 0.40571(19) 0.0212(10) Uani 1 1 d . . . . .
C38 C 0.50919(7) 0.0916(4) 0.4534(2) 0.0296(11) Uani 1 1 d . . . . .
H30A H 0.494834 0.076113 0.434942 0.044 Uiso 1 1 calc R U . . .
H30B H 0.515221 0.030490 0.477256 0.044 Uiso 1 1 calc R U . . .
H30C H 0.509917 0.154811 0.478302 0.044 Uiso 1 1 calc R U . . .
C39 C 0.51990(8) 0.0121(4) 0.3669(2) 0.0298(11) Uani 1 1 d . . . . .
H30D H 0.505534 -0.003735 0.348857 0.045 Uiso 1 1 calc R U . . .
H30E H 0.527396 0.024862 0.336253 0.045 Uiso 1 1 calc R U . . .
H30F H 0.526019 -0.048539 0.391061 0.045 Uiso 1 1 calc R U . . .
C310 C 0.51075(8) 0.2048(4) 0.3673(2) 0.0320(12) Uani 1 1 d . . . . .
H31A H 0.496430 0.186448 0.350096 0.048 Uiso 1 1 calc R U . . .
H31B H 0.511278 0.269166 0.391287 0.048 Uiso 1 1 calc R U . . .
H31C H 0.517935 0.217832 0.335945 0.048 Uiso 1 1 calc R U . . .
C41 C 0.59026(7) 0.4529(3) 0.52854(18) 0.0169(9) Uani 1 1 d . . . . .
C42 C 0.58497(6) 0.5330(3) 0.56549(18) 0.0153(9) Uani 1 1 d . . . . .
C43 C 0.56773(7) 0.5944(3) 0.54531(18) 0.0181(9) Uani 1 1 d . . . . .
H40G H 0.564518 0.648139 0.570328 0.022 Uiso 1 1 calc R U . . .
C44 C 0.55471(7) 0.5815(3) 0.48987(19) 0.0170(9) Uani 1 1 d . . . . .
C45 C 0.56043(7) 0.5037(3) 0.45429(18) 0.0170(9) Uani 1 1 d . . . . .
H40H H 0.552031 0.492849 0.416233 0.020 Uiso 1 1 calc R U . . .
C46 C 0.57786(6) 0.4414(3) 0.47201(18) 0.0152(9) Uani 1 1 d . . . . .
C47 C 0.53465(7) 0.6456(4) 0.47366(19) 0.0215(10) Uani 1 1 d . . . . .
C48 C 0.53890(7) 0.7655(4) 0.4796(2) 0.0241(10) Uani 1 1 d . . . . .
H40A H 0.546532 0.781446 0.519557 0.036 Uiso 1 1 calc R U . . .
H40B H 0.546991 0.787348 0.451685 0.036 Uiso 1 1 calc R U . . .
H40C H 0.525882 0.804470 0.471422 0.036 Uiso 1 1 calc R U . . .
C49 C 0.52279(8) 0.6237(4) 0.4112(2) 0.0347(13) Uani 1 1 d . . . . .
H40D H 0.519898 0.547243 0.406358 0.052 Uiso 1 1 calc R U . . .
H40E H 0.509868 0.663512 0.403382 0.052 Uiso 1 1 calc R U . . .
H40F H 0.530978 0.646389 0.383645 0.052 Uiso 1 1 calc R U . . .
C410 C 0.52114(8) 0.6151(4) 0.5160(2) 0.0320(12) Uani 1 1 d . . . . .
H41A H 0.528619 0.628873 0.556369 0.048 Uiso 1 1 calc R U . . .
H41B H 0.508570 0.657844 0.507197 0.048 Uiso 1 1 calc R U . . .
H41C H 0.517626 0.539281 0.511437 0.048 Uiso 1 1 calc R U . . .
N1 N 0.63507(6) 0.6704(3) 0.47690(15) 0.0192(8) Uani 1 1 d . . . . .
C111 C 0.63369(8) 0.5548(4) 0.4577(2) 0.0309(12) Uani 1 1 d . . . . .
H11K H 0.619552 0.529173 0.455416 0.037 Uiso 1 1 calc R U . . .
H11L H 0.642990 0.511981 0.488045 0.037 Uiso 1 1 calc R U . . .
C112 C 0.63912(10) 0.5347(5) 0.3987(3) 0.0482(16) Uani 1 1 d . . . . .
H11I H 0.635979 0.600112 0.374742 0.058 Uiso 1 1 calc R U . . .
H11J H 0.654077 0.522565 0.405846 0.058 Uiso 1 1 calc R U . . .
C113 C 0.62845(9) 0.4428(5) 0.3637(3) 0.0464(15) Uani 1 1 d . . . . .
H11G H 0.636411 0.420614 0.334988 0.056 Uiso 1 1 calc R U . . .
H11H H 0.628116 0.381862 0.390339 0.056 Uiso 1 1 calc R U . . .
C114 C 0.60774(10) 0.4678(6) 0.3329(3) 0.065(2) Uani 1 1 d . . . . .
H11D H 0.601543 0.405016 0.310832 0.098 Uiso 1 1 calc R U . . .
H11E H 0.599667 0.488185 0.361118 0.098 Uiso 1 1 calc R U . . .
H11F H 0.607966 0.526958 0.305738 0.098 Uiso 1 1 calc R U . . .
C121 C 0.65511(7) 0.7200(4) 0.4704(2) 0.0222(10) Uani 1 1 d . . . . .
H12M H 0.655375 0.719343 0.428341 0.027 Uiso 1 1 calc R U . . .
H12N H 0.655289 0.795539 0.482792 0.027 Uiso 1 1 calc R U . . .
C122 C 0.67446(8) 0.6670(4) 0.5044(2) 0.0294(11) Uani 1 1 d . . . . .
H12K H 0.674106 0.589880 0.495236 0.035 Uiso 1 1 calc R U . . .
H12L H 0.675464 0.675203 0.546977 0.035 Uiso 1 1 calc R U . . .
C123 C 0.69299(8) 0.7185(4) 0.4880(2) 0.0313(12) Uani 1 1 d . . . . .
H12I H 0.691677 0.710713 0.445258 0.038 Uiso 1 1 calc R U . . .
H12J H 0.693055 0.795637 0.496903 0.038 Uiso 1 1 calc R U . . .
C124 C 0.71319(8) 0.6703(5) 0.5199(3) 0.0450(15) Uani 1 1 d . . . . .
H12D H 0.724473 0.706466 0.507603 0.068 Uiso 1 1 calc R U . . .
H12E H 0.714764 0.679217 0.562234 0.068 Uiso 1 1 calc R U . . .
H12F H 0.713385 0.594238 0.510555 0.068 Uiso 1 1 calc R U . . .
C131 C 0.63337(7) 0.6741(4) 0.54060(19) 0.0241(10) Uani 1 1 d . . . . .
H13K H 0.619954 0.643914 0.543155 0.029 Uiso 1 1 calc R U . . .
H13L H 0.644168 0.627933 0.564104 0.029 Uiso 1 1 calc R U . . .
C132 C 0.63537(8) 0.7848(4) 0.5674(2) 0.0303(12) Uani 1 1 d . . . . .
H13I H 0.649693 0.809545 0.572485 0.036 Uiso 1 1 calc R U . . .
H13J H 0.626453 0.834667 0.540230 0.036 Uiso 1 1 calc R U . . .
C133 C 0.62960(9) 0.7877(5) 0.6256(2) 0.0440(15) Uani 1 1 d . . . . .
H13G H 0.638159 0.736138 0.652500 0.053 Uiso 1 1 calc R U . . .
H13H H 0.615096 0.765940 0.620425 0.053 Uiso 1 1 calc R U . . .
C134 C 0.63249(9) 0.8987(5) 0.6526(2) 0.0457(16) Uani 1 1 d . . . . .
H13D H 0.628608 0.897995 0.690470 0.069 Uiso 1 1 calc R U . . .
H13E H 0.646888 0.919872 0.658423 0.069 Uiso 1 1 calc R U . . .
H13F H 0.623844 0.949649 0.626376 0.069 Uiso 1 1 calc R U . . .
C141 C 0.61822(7) 0.7356(4) 0.43838(19) 0.0204(10) Uani 1 1 d . . . . .
H14K H 0.618754 0.723415 0.397026 0.025 Uiso 1 1 calc R U . . .
H14L H 0.621188 0.811997 0.446983 0.025 Uiso 1 1 calc R U . . .
C142 C 0.59642(7) 0.7129(4) 0.44456(19) 0.0213(10) Uani 1 1 d . . . . .
H14I H 0.594870 0.635742 0.451406 0.026 Uiso 1 1 calc R U . . .
H14J H 0.593775 0.752238 0.478693 0.026 Uiso 1 1 calc R U . . .
C143 C 0.58094(7) 0.7469(4) 0.38926(19) 0.0222(10) Uani 1 1 d . . . . .
H14G H 0.584107 0.708987 0.355364 0.027 Uiso 1 1 calc R U . . .
H14H H 0.567116 0.724227 0.392651 0.027 Uiso 1 1 calc R U . . .
C144 C 0.58049(8) 0.8658(4) 0.3770(2) 0.0283(11) Uani 1 1 d . . . . .
H14D H 0.570208 0.880921 0.340960 0.042 Uiso 1 1 calc R U . . .
H14E H 0.576975 0.904254 0.409776 0.042 Uiso 1 1 calc R U . . .
H14F H 0.593996 0.888987 0.372423 0.042 Uiso 1 1 calc R U . . .
N2 N 0.81492(6) 0.3160(3) 0.68835(16) 0.0216(8) Uani 1 1 d . . . . .
C211 C 0.82129(7) 0.1998(4) 0.6903(2) 0.0240(10) Uani 1 1 d . . . . .
H21K H 0.829742 0.188921 0.661230 0.029 Uiso 1 1 calc R U . . .
H21L H 0.830100 0.184925 0.729465 0.029 Uiso 1 1 calc R U . . .
C212 C 0.80408(8) 0.1186(4) 0.6784(2) 0.0285(11) Uani 1 1 d . . . . .
H21I H 0.795221 0.130996 0.639005 0.034 Uiso 1 1 calc R U . . .
H21J H 0.795583 0.126968 0.707578 0.034 Uiso 1 1 calc R U . . .
C213 C 0.81278(8) 0.0061(4) 0.6818(2) 0.0323(12) Uani 1 1 d . . . . .
H21G H 0.820553 -0.008064 0.722348 0.039 Uiso 1 1 calc R U . . .
H21H H 0.822417 0.000600 0.655645 0.039 Uiso 1 1 calc R U . . .
C214 C 0.79606(10) -0.0778(4) 0.6643(2) 0.0445(15) Uani 1 1 d . . . . .
H21D H 0.802298 -0.148819 0.667118 0.067 Uiso 1 1 calc R U . . .
H21E H 0.786635 -0.073546 0.690633 0.067 Uiso 1 1 calc R U . . .
H21F H 0.788499 -0.064884 0.623948 0.067 Uiso 1 1 calc R U . . .
C221 C 0.80292(8) 0.3426(4) 0.62641(19) 0.0265(11) Uani 1 1 d . . . . .
H22H H 0.811238 0.320990 0.598458 0.032 Uiso 1 1 calc R U . . .
H22I H 0.790258 0.299090 0.617765 0.032 Uiso 1 1 calc R U . . .
C222 C 0.79700(10) 0.4591(4) 0.6155(3) 0.0437(15) Uani 1 1 d . . . . .
H22F H 0.803457 0.499979 0.651047 0.052 Uiso 1 1 calc R U . . .
H22G H 0.803022 0.485105 0.583253 0.052 Uiso 1 1 calc R U . . .
C223 C 0.77593(12) 0.4836(6) 0.6013(5) 0.092(3) Uani 1 1 d . . . . .
H22D H 0.770108 0.463680 0.634991 0.110 Uiso 1 1 calc R U . . .
H22E H 0.769223 0.438349 0.567781 0.110 Uiso 1 1 calc R U . . .
C224 C 0.77034(13) 0.5993(7) 0.5856(4) 0.078(2) Uani 1 1 d . U . . .
H22A H 0.755409 0.607343 0.576567 0.118 Uiso 1 1 calc R U . . .
H22B H 0.776454 0.645251 0.618840 0.118 Uiso 1 1 calc R U . . .
H22C H 0.775565 0.619840 0.551418 0.118 Uiso 1 1 calc R U . . .
C231 C 0.80140(8) 0.3383(4) 0.7307(2) 0.0278(11) Uani 1 1 d . . . . .
H23J H 0.799205 0.416337 0.731753 0.033 Uiso 1 1 calc R U . . .
H23K H 0.787880 0.304945 0.715081 0.033 Uiso 1 1 calc R U . . .
C232 C 0.80927(9) 0.3001(5) 0.7928(2) 0.0397(14) Uani 1 1 d . . . . .
H23H H 0.822931 0.331559 0.808922 0.048 Uiso 1 1 calc R U . . .
H23I H 0.810797 0.221558 0.792857 0.048 Uiso 1 1 calc R U . . .
C233 C 0.79478(10) 0.3310(6) 0.8312(2) 0.0496(17) Uani 1 1 d . . . . .
H23F H 0.801170 0.311763 0.872271 0.060 Uiso 1 1 calc R U . . .
H23G H 0.792891 0.409286 0.829500 0.060 Uiso 1 1 calc R U . . .
C234 C 0.77409(9) 0.2783(5) 0.8140(3) 0.0503(17) Uani 1 1 d . . . . .
H23A H 0.765569 0.301684 0.840476 0.075 Uiso 1 1 calc R U . . .
H23B H 0.767478 0.298340 0.773696 0.075 Uiso 1 1 calc R U . . .
H23C H 0.775766 0.200708 0.816515 0.075 Uiso 1 1 calc R U . . .
C241 C 0.83411(7) 0.3842(4) 0.7047(2) 0.0263(11) Uani 1 1 d . . . . .
H24H H 0.829858 0.459757 0.705090 0.032 Uiso 1 1 calc R U . . .
H24I H 0.841381 0.365482 0.745101 0.032 Uiso 1 1 calc R U . . .
C242 C 0.84919(8) 0.3751(4) 0.6655(2) 0.0336(12) Uani 1 1 d . . . . .
H24F H 0.841612 0.371280 0.624038 0.040 Uiso 1 1 calc R U . . .
H24G H 0.857272 0.308710 0.674913 0.040 Uiso 1 1 calc R U . . .
C243 C 0.86365(8) 0.4714(4) 0.6742(2) 0.0316(12) Uani 1 1 d . . . . .
H24D H 0.868662 0.484937 0.716609 0.038 Uiso 1 1 calc R U . . .
H24E H 0.875661 0.454684 0.657786 0.038 Uiso 1 1 calc R U . . .
C244 C 0.85334(9) 0.5711(5) 0.6450(2) 0.0428(15) Uani 1 1 d . . . . .
H24A H 0.863141 0.630316 0.651688 0.064 Uiso 1 1 calc R U . . .
H24B H 0.848610 0.558619 0.602821 0.064 Uiso 1 1 calc R U . . .
H24C H 0.841611 0.588872 0.661643 0.064 Uiso 1 1 calc R U . . .
C1 C 0.55070(10) 0.2353(5) 0.5846(2) 0.0522(18) Uani 1 1 d . . . . .
H1A H 0.561623 0.261522 0.617463 0.063 Uiso 1 1 calc R U . . .
H1B H 0.557282 0.193614 0.558111 0.063 Uiso 1 1 calc R U . . .
Cl12 Cl 0.53805(2) 0.34312(11) 0.54687(6) 0.0416(3) Uani 1 1 d . . . . .
Cl11 Cl 0.53415(4) 0.15176(14) 0.61241(7) 0.0793(7) Uani 1 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 '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
O2 Dy1 O4 98.97(11) . . ?
O2 Dy1 O5 143.60(10) . . ?
O4 Dy1 O5 86.72(11) . . ?
O2 Dy1 O6 84.85(10) . . ?
O4 Dy1 O6 146.16(10) . . ?
O5 Dy1 O6 71.80(10) . . ?
O2 Dy1 O8 147.07(10) . . ?
O4 Dy1 O8 87.19(10) . . ?
O5 Dy1 O8 68.60(10) . . ?
O6 Dy1 O8 107.77(10) . . ?
O2 Dy1 O7 88.57(11) . . ?
O4 Dy1 O7 144.54(10) . . ?
O5 Dy1 O7 107.44(10) . . ?
O6 Dy1 O7 68.68(10) . . ?
O8 Dy1 O7 69.28(10) . . ?
O2 Dy1 O3 74.63(10) . . ?
O4 Dy1 O3 78.94(10) . . ?
O5 Dy1 O3 141.32(9) . . ?
O6 Dy1 O3 133.69(10) . . ?
O8 Dy1 O3 74.92(9) . . ?
O7 Dy1 O3 69.72(9) . . ?
O2 Dy1 O1 77.27(10) . . ?
O4 Dy1 O1 78.33(10) . . ?
O5 Dy1 O1 68.70(9) . . ?
O6 Dy1 O1 69.70(9) . . ?
O8 Dy1 O1 135.46(9) . . ?
O7 Dy1 O1 136.96(9) . . ?
O3 Dy1 O1 140.26(9) . . ?
N1N Mo1 O14 99.87(16) . . ?
N1N Mo1 O13 98.49(17) . . ?
O14 Mo1 O13 89.60(14) . . ?
N1N Mo1 O15 99.15(17) . . ?
O14 Mo1 O15 88.54(13) . . ?
O13 Mo1 O15 162.32(13) . . ?
N1N Mo1 O12 97.59(16) . . ?
O14 Mo1 O12 162.54(13) . . ?
O13 Mo1 O12 88.34(13) . . ?
O15 Mo1 O12 88.17(13) . . ?
N1N Mo1 O1C 178.63(16) . . ?
O14 Mo1 O1C 81.44(12) . . ?
O13 Mo1 O1C 81.06(12) . . ?
O15 Mo1 O1C 81.27(12) . . ?
O12 Mo1 O1C 81.11(12) . . ?
O2T Mo2 O5 106.44(15) . . ?
O2T Mo2 O23 103.08(15) . . ?
O5 Mo2 O23 95.83(13) . . ?
O2T Mo2 O25 102.91(15) . . ?
O5 Mo2 O25 94.55(13) . . ?
O23 Mo2 O25 147.91(13) . . ?
O2T Mo2 O12 91.85(14) . . ?
O5 Mo2 O12 161.67(13) . . ?
O23 Mo2 O12 80.92(13) . . ?
O25 Mo2 O12 79.75(12) . . ?
O2T Mo2 O1C 163.41(14) . . ?
O5 Mo2 O1C 90.15(12) . . ?
O23 Mo2 O1C 74.77(12) . . ?
O25 Mo2 O1C 74.92(12) . . ?
O12 Mo2 O1C 71.57(11) . . ?
O3T Mo3 O6 107.03(15) . . ?
O3T Mo3 O23 103.34(15) . . ?
O6 Mo3 O23 95.05(14) . . ?
O3T Mo3 O34 102.01(15) . . ?
O6 Mo3 O34 96.20(13) . . ?
O23 Mo3 O34 147.79(13) . . ?
O3T Mo3 O13 90.82(14) . . ?
O6 Mo3 O13 162.15(13) . . ?
O23 Mo3 O13 80.29(13) . . ?
O34 Mo3 O13 79.80(12) . . ?
O3T Mo3 O1C 162.12(14) . . ?
O6 Mo3 O1C 90.83(12) . . ?
O23 Mo3 O1C 75.10(11) . . ?
O34 Mo3 O1C 74.65(12) . . ?
O13 Mo3 O1C 71.32(11) . . ?
O4T Mo4 O7 107.30(15) . . ?
O4T Mo4 O34 102.52(15) . . ?
O7 Mo4 O34 96.31(14) . . ?
O4T Mo4 O45 101.18(15) . . ?
O7 Mo4 O45 96.06(13) . . ?
O34 Mo4 O45 148.56(13) . . ?
O4T Mo4 O14 90.00(14) . . ?
O7 Mo4 O14 162.70(13) . . ?
O34 Mo4 O14 79.60(12) . . ?
O45 Mo4 O14 80.04(12) . . ?
O4T Mo4 O1C 161.55(14) . . ?
O7 Mo4 O1C 91.13(12) . . ?
O34 Mo4 O1C 75.60(12) . . ?
O45 Mo4 O1C 75.37(12) . . ?
O14 Mo4 O1C 71.57(11) . . ?
O5T Mo5 O8 106.59(14) . . ?
O5T Mo5 O45 102.35(15) . . ?
O8 Mo5 O45 96.57(13) . . ?
O5T Mo5 O25 100.88(15) . . ?
O8 Mo5 O25 96.09(14) . . ?
O45 Mo5 O25 149.05(13) . . ?
O5T Mo5 O15 90.56(14) . . ?
O8 Mo5 O15 162.83(13) . . ?
O45 Mo5 O15 80.03(12) . . ?
O25 Mo5 O15 79.58(13) . . ?
O5T Mo5 O1C 162.13(13) . . ?
O8 Mo5 O1C 91.27(12) . . ?
O45 Mo5 O1C 75.48(12) . . ?
O25 Mo5 O1C 76.12(12) . . ?
O15 Mo5 O1C 71.57(11) . . ?
Mo1 O1C Mo4 101.13(12) . . ?
Mo1 O1C Mo5 101.01(12) . . ?
Mo4 O1C Mo5 88.56(10) . . ?
Mo1 O1C Mo3 100.40(12) . . ?
Mo4 O1C Mo3 88.23(10) . . ?
Mo5 O1C Mo3 158.57(14) . . ?
Mo1 O1C Mo2 99.97(12) . . ?
Mo4 O1C Mo2 158.90(14) . . ?
Mo5 O1C Mo2 87.39(10) . . ?
Mo3 O1C Mo2 88.02(10) . . ?
O1N N1N Mo1 179.2(4) . . ?
C12M O12 Mo1 126.8(3) . . ?
C12M O12 Mo2 122.1(3) . . ?
Mo1 O12 Mo2 107.36(13) . . ?
C13M O13 Mo1 129.2(3) . . ?
C13M O13 Mo3 123.6(3) . . ?
Mo1 O13 Mo3 107.21(13) . . ?
C14M O14 Mo1 126.7(3) . . ?
C14M O14 Mo4 125.8(4) . . ?
Mo1 O14 Mo4 105.86(13) . . ?
C15M O15 Mo1 124.0(3) . . ?
C15M O15 Mo5 121.6(3) . . ?
Mo1 O15 Mo5 106.14(14) . . ?
Mo2 O23 Mo3 116.73(15) . . ?
Mo5 O25 Mo2 115.08(15) . . ?
Mo4 O34 Mo3 114.74(15) . . ?
Mo5 O45 Mo4 114.32(15) . . ?
Mo2 O5 Dy1 137.08(15) . . ?
Mo3 O6 Dy1 136.23(16) . . ?
Mo4 O7 Dy1 135.18(16) . . ?
Mo5 O8 Dy1 135.26(15) . . ?
C11 O1 C1L 111.0(3) . . ?
C11 O1 Dy1 121.0(2) . . ?
C1L O1 Dy1 127.8(2) . . ?
C21 O2 Dy1 170.2(3) . . ?
C31 O3 C3L 111.0(3) . . ?
C31 O3 Dy1 123.1(2) . . ?
C3L O3 Dy1 125.8(2) . . ?
C41 O4 Dy1 165.1(3) . . ?
C26 C12C C12 110.8(3) . . ?
C36 C23C C22 114.3(3) . . ?
C32 C34C C46 111.2(3) . . ?
C42 C41C C16 110.3(3) . . ?
C12 C11 C16 121.2(4) . . ?
C12 C11 O1 119.1(4) . . ?
C16 C11 O1 119.7(4) . . ?
C11 C12 C13 118.2(4) . . ?
C11 C12 C12C 121.2(4) . . ?
C13 C12 C12C 120.5(4) . . ?
C14 C13 C12 122.8(4) . . ?
C13 C14 C15 116.7(4) . . ?
C13 C14 C17 122.4(4) . . ?
C15 C14 C17 120.9(4) . . ?
C16 C15 C14 122.8(4) . . ?
C15 C16 C11 118.1(4) . . ?
C15 C16 C41C 120.6(4) . . ?
C11 C16 C41C 121.3(4) . . ?
C14 C17 C19 112.9(4) . . ?
C14 C17 C110 111.3(4) . . ?
C19 C17 C110 108.2(4) . . ?
C14 C17 C18 107.5(4) . . ?
C19 C17 C18 108.5(4) . . ?
C110 C17 C18 108.3(4) . . ?
O2 C21 C26 120.4(4) . . ?
O2 C21 C22 120.9(4) . . ?
C26 C21 C22 118.7(4) . . ?
C23 C22 C21 119.4(4) . . ?
C23 C22 C23C 122.0(4) . . ?
C21 C22 C23C 118.5(4) . . ?
C22 C23 C24 122.8(4) . . ?
C23 C24 C25 116.6(4) . . ?
C23 C24 C27 124.3(4) . . ?
C25 C24 C27 119.0(4) . . ?
C26 C25 C24 122.8(4) . . ?
C25 C26 C21 119.5(4) . . ?
C25 C26 C12C 120.8(4) . . ?
C21 C26 C12C 119.6(4) . . ?
C28 C27 C29 107.6(4) . . ?
C28 C27 C210 108.3(4) . . ?
C29 C27 C210 109.7(5) . . ?
C28 C27 C24 112.5(4) . . ?
C29 C27 C24 109.2(4) . . ?
C210 C27 C24 109.5(4) . . ?
C32 C31 C36 121.9(4) . . ?
C32 C31 O3 118.7(4) . . ?
C36 C31 O3 119.2(4) . . ?
C31 C32 C33 118.0(4) . . ?
C31 C32 C34C 123.2(4) . . ?
C33 C32 C34C 118.7(4) . . ?
C34 C33 C32 122.8(4) . . ?
C33 C34 C35 116.6(4) . . ?
C33 C34 C37 122.8(4) . . ?
C35 C34 C37 120.5(4) . . ?
C36 C35 C34 122.7(4) . . ?
C35 C36 C31 117.6(4) . . ?
C35 C36 C23C 119.9(4) . . ?
C31 C36 C23C 122.6(4) . . ?
C34 C37 C310 111.8(4) . . ?
C34 C37 C38 110.1(4) . . ?
C310 C37 C38 108.4(4) . . ?
C34 C37 C39 109.2(4) . . ?
C310 C37 C39 108.3(4) . . ?
C38 C37 C39 109.0(4) . . ?
O4 C41 C46 121.4(4) . . ?
O4 C41 C42 120.4(4) . . ?
C46 C41 C42 118.2(4) . . ?
C43 C42 C41 119.4(4) . . ?
C43 C42 C41C 120.7(4) . . ?
C41 C42 C41C 119.7(4) . . ?
C42 C43 C44 123.4(4) . . ?
C45 C44 C43 116.0(4) . . ?
C45 C44 C47 124.2(4) . . ?
C43 C44 C47 119.6(4) . . ?
C46 C45 C44 122.9(4) . . ?
C45 C46 C41 120.1(4) . . ?
C45 C46 C34C 120.9(4) . . ?
C41 C46 C34C 118.9(4) . . ?
C49 C47 C48 108.1(4) . . ?
C49 C47 C410 108.7(4) . . ?
C48 C47 C410 108.0(4) . . ?
C49 C47 C44 112.2(4) . . ?
C48 C47 C44 110.9(4) . . ?
C410 C47 C44 108.7(4) . . ?
C141 N1 C111 110.6(4) . . ?
C141 N1 C121 106.0(3) . . ?
C111 N1 C121 111.0(4) . . ?
C141 N1 C131 110.9(3) . . ?
C111 N1 C131 107.8(4) . . ?
C121 N1 C131 110.6(3) . . ?
N1 C111 C112 114.5(4) . . ?
C113 C112 C111 116.1(6) . . ?
C114 C113 C112 113.1(6) . . ?
C122 C121 N1 116.0(4) . . ?
C121 C122 C123 109.3(4) . . ?
C124 C123 C122 113.2(4) . . ?
C132 C131 N1 114.5(4) . . ?
C133 C132 C131 112.4(4) . . ?
C132 C133 C134 111.4(5) . . ?
N1 C141 C142 116.3(4) . . ?
C143 C142 C141 110.3(4) . . ?
C144 C143 C142 114.6(4) . . ?
C231 N2 C211 111.3(4) . . ?
C231 N2 C241 109.2(4) . . ?
C211 N2 C241 108.5(4) . . ?
C231 N2 C221 108.6(4) . . ?
C211 N2 C221 108.7(3) . . ?
C241 N2 C221 110.4(4) . . ?
C212 C211 N2 116.3(4) . . ?
C211 C212 C213 110.2(4) . . ?
C212 C213 C214 112.1(4) . . ?
C222 C221 N2 115.4(4) . . ?
C223 C222 C221 117.3(6) . . ?
C222 C223 C224 116.3(6) . . ?
C232 C231 N2 116.3(4) . . ?
C231 C232 C233 111.2(5) . . ?
C234 C233 C232 113.8(5) . . ?
C242 C241 N2 116.6(4) . . ?
C241 C242 C243 110.4(4) . . ?
C244 C243 C242 112.4(4) . . ?
Cl12 C1 Cl11 112.3(3) . . ?
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 O2 2.117(3) . ?
Dy1 O4 2.136(3) . ?
Dy1 O5 2.432(3) . ?
Dy1 O6 2.459(3) . ?
Dy1 O8 2.476(3) . ?
Dy1 O7 2.508(3) . ?
Dy1 O3 2.534(3) . ?
Dy1 O1 2.561(3) . ?
Mo1 N1N 1.768(4) . ?
Mo1 O14 1.992(3) . ?
Mo1 O13 1.997(3) . ?
Mo1 O15 2.003(3) . ?
Mo1 O12 2.016(3) . ?
Mo1 O1C 2.117(3) . ?
Mo2 O2T 1.703(3) . ?
Mo2 O5 1.742(3) . ?
Mo2 O23 1.908(3) . ?
Mo2 O25 1.919(3) . ?
Mo2 O12 2.237(3) . ?
Mo2 O1C 2.357(3) . ?
Mo3 O3T 1.705(3) . ?
Mo3 O6 1.734(3) . ?
Mo3 O23 1.920(3) . ?
Mo3 O34 1.922(3) . ?
Mo3 O13 2.252(3) . ?
Mo3 O1C 2.335(3) . ?
Mo4 O4T 1.705(3) . ?
Mo4 O7 1.736(3) . ?
Mo4 O34 1.912(3) . ?
Mo4 O45 1.931(3) . ?
Mo4 O14 2.283(3) . ?
Mo4 O1C 2.303(3) . ?
Mo5 O5T 1.700(3) . ?
Mo5 O8 1.745(3) . ?
Mo5 O45 1.907(3) . ?
Mo5 O25 1.908(3) . ?
Mo5 O15 2.274(3) . ?
Mo5 O1C 2.316(3) . ?
N1N O1N 1.204(5) . ?
O12 C12M 1.394(6) . ?
O13 C13M 1.395(6) . ?
O14 C14M 1.368(6) . ?
O15 C15M 1.425(6) . ?
O1 C11 1.401(5) . ?
O1 C1L 1.433(5) . ?
O2 C21 1.321(5) . ?
O3 C31 1.412(5) . ?
O3 C3L 1.434(5) . ?
O4 C41 1.329(5) . ?
C12C C26 1.509(6) . ?
C12C C12 1.516(6) . ?
C23C C36 1.517(6) . ?
C23C C22 1.525(6) . ?
C34C C32 1.518(6) . ?
C34C C46 1.520(6) . ?
C41C C42 1.514(6) . ?
C41C C16 1.517(6) . ?
C11 C12 1.391(6) . ?
C11 C16 1.396(6) . ?
C12 C13 1.392(6) . ?
C13 C14 1.387(6) . ?
C14 C15 1.397(6) . ?
C14 C17 1.531(6) . ?
C15 C16 1.386(6) . ?
C17 C19 1.533(7) . ?
C17 C110 1.537(6) . ?
C17 C18 1.539(6) . ?
C21 C26 1.412(6) . ?
C21 C22 1.412(6) . ?
C22 C23 1.387(6) . ?
C23 C24 1.394(6) . ?
C24 C25 1.396(6) . ?
C24 C27 1.531(6) . ?
C25 C26 1.385(6) . ?
C27 C28 1.520(6) . ?
C27 C29 1.529(7) . ?
C27 C210 1.530(7) . ?
C31 C32 1.385(6) . ?
C31 C36 1.396(6) . ?
C32 C33 1.396(6) . ?
C33 C34 1.386(6) . ?
C34 C35 1.407(6) . ?
C34 C37 1.530(6) . ?
C35 C36 1.391(6) . ?
C37 C310 1.533(6) . ?
C37 C38 1.536(6) . ?
C37 C39 1.543(7) . ?
C41 C46 1.402(6) . ?
C41 C42 1.422(6) . ?
C42 C43 1.380(6) . ?
C43 C44 1.400(6) . ?
C44 C45 1.392(6) . ?
C44 C47 1.538(6) . ?
C45 C46 1.388(6) . ?
C47 C49 1.524(6) . ?
C47 C48 1.531(6) . ?
C47 C410 1.537(7) . ?
N1 C141 1.514(6) . ?
N1 C111 1.515(6) . ?
N1 C121 1.519(6) . ?
N1 C131 1.524(5) . ?
C111 C112 1.529(8) . ?
C112 C113 1.498(8) . ?
C113 C114 1.446(8) . ?
C121 C122 1.513(7) . ?
C122 C123 1.525(7) . ?
C123 C124 1.515(7) . ?
C131 C132 1.518(7) . ?
C132 C133 1.501(7) . ?
C133 C134 1.523(8) . ?
C141 C142 1.528(6) . ?
C142 C143 1.525(6) . ?
C143 C144 1.517(7) . ?
N2 C231 1.516(6) . ?
N2 C211 1.517(6) . ?
N2 C241 1.519(6) . ?
N2 C221 1.528(6) . ?
C211 C212 1.516(7) . ?
C212 C213 1.522(7) . ?
C213 C214 1.523(7) . ?
C221 C222 1.521(7) . ?
C222 C223 1.409(9) . ?
C223 C224 1.523(10) . ?
C231 C232 1.508(7) . ?
C232 C233 1.518(8) . ?
C233 C234 1.506(8) . ?
C241 C242 1.517(7) . ?
C242 C243 1.533(7) . ?
C243 C244 1.514(8) . ?
C1 Cl12 1.729(6) . ?
C1 Cl11 1.755(8) . ?
