#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:01:48 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179436 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/33/4333367.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4333367
loop_
_publ_author_name
'Przychodzeń, Paweł'
'Pełka, Robert'
'Lewiński, Krzysztof'
'Supel, Justyna'
'Rams, Michał'
'Tomala, Krzysztof'
'Sieklucka, Barbara'
_publ_section_title
;
 Tuning of Magnetic Properties of Polynuclear
 Lanthanide(III)−Octacyanotungstate(V) Systems: 
 Determination of Ligand-Field Parameters and Exchange Interaction
;
_journal_issue                   21
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8924
_journal_page_last               8938
_journal_paper_doi               10.1021/ic700795q
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         '(C35 H39 N15 O4 Dy W), (C2 H6 O), 6(H2 O)'
_chemical_formula_sum            'C37 H57 Dy N15 O11 W'
_chemical_formula_weight         1234.33
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.538(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.4080(2)
_cell_length_b                   23.7100(3)
_cell_length_c                   14.6670(2)
_cell_measurement_temperature    293(2)
_cell_volume                     5008.64(12)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius BV, 1997-2000)'
_computing_data_reduction        'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'φ and ω scans with the κ offsets'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0181
_diffrn_reflns_av_sigmaI/netI    0.0362
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            19358
_diffrn_reflns_theta_full        27.31
_diffrn_reflns_theta_max         27.31
_diffrn_reflns_theta_min         2.22
_exptl_absorpt_coefficient_mu    3.842
_exptl_absorpt_correction_T_max  0.6556
_exptl_absorpt_correction_T_min  0.2952
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO-SMN; Otwinowski & Minor, 1997'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.637
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2448
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.087
_refine_diff_density_min         -1.078
_refine_diff_density_rms         0.122
_refine_ls_extinction_coef       0.00065(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   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     596
_refine_ls_number_reflns         10963
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0337
_refine_ls_R_factor_gt           0.0291
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0115P)²+20.5668P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0659
_refine_ls_wR_factor_ref         0.0678
_reflns_number_gt                10029
_reflns_number_total             10963
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic700795qsup1.cif
_cod_data_source_block           pp24
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4333367
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.402063(10) 0.771969(6) 0.338881(9) 0.01119(5) Uani 1 1 d . . .
C1 C 0.4698(2) 0.80838(16) 0.4592(2) 0.0141(7) Uani 1 1 d . . .
N1 N 0.5065(2) 0.82528(13) 0.5248(2) 0.0165(6) Uani 1 1 d . . .
C2 C 0.2923(3) 0.82276(17) 0.4013(2) 0.0185(8) Uani 1 1 d . . .
N2 N 0.2336(3) 0.84906(15) 0.4335(2) 0.0265(8) Uani 1 1 d . . .
C3 C 0.3491(3) 0.72032(16) 0.4501(3) 0.0172(8) Uani 1 1 d . . .
N3 N 0.3211(2) 0.69447(15) 0.5101(2) 0.0244(7) Uani 1 1 d . . .
C4 C 0.3598(3) 0.83847(18) 0.2429(3) 0.0208(8) Uani 1 1 d . . .
N4 N 0.3362(3) 0.87309(17) 0.1918(3) 0.0310(9) Uani 1 1 d . . .
C5 C 0.2745(3) 0.73419(16) 0.2853(2) 0.0162(7) Uani 1 1 d . . .
N5 N 0.2084(2) 0.71207(14) 0.2554(2) 0.0189(7) Uani 1 1 d . . .
C6 C 0.4308(3) 0.73133(16) 0.2098(2) 0.0162(7) Uani 1 1 d . . .
N6 N 0.4438(2) 0.70810(16) 0.1417(2) 0.0243(8) Uani 1 1 d . . .
C7 C 0.5057(3) 0.70563(17) 0.3695(3) 0.0194(8) Uani 1 1 d . . .
N7 N 0.5598(3) 0.67056(17) 0.3861(3) 0.0298(8) Uani 1 1 d . . .
C8 C 0.5337(3) 0.80937(16) 0.2956(2) 0.0161(7) Uani 1 1 d . . .
N8 N 0.6036(2) 0.82860(15) 0.2722(2) 0.0242(8) Uani 1 1 d . . .
Dy Dy 0.585172(11) 0.847674(7) 0.677760(11) 0.01119(5) Uani 1 1 d . . .
N11 N 0.5462(2) 0.83987(14) 0.8462(2) 0.0167(6) Uani 1 1 d . . .
N12 N 0.5328(2) 0.93919(13) 0.7543(2) 0.0167(6) Uani 1 1 d . . .
N13 N 0.5902(2) 0.93656(14) 0.5778(2) 0.0176(7) Uani 1 1 d . . .
C11 C 0.5607(3) 0.79128(18) 0.8934(3) 0.0201(8) Uani 1 1 d . . .
H11 H 0.5870 0.7609 0.8634 0.024 Uiso 1 1 calc R . .
C12 C 0.5383(3) 0.7847(2) 0.9843(3) 0.0277(9) Uani 1 1 d . . .
H12 H 0.5498 0.7508 1.0145 0.033 Uiso 1 1 calc R . .
C13 C 0.4984(4) 0.8298(2) 1.0289(3) 0.0406(13) Uani 1 1 d . . .
H13 H 0.4828 0.8266 1.0898 0.049 Uiso 1 1 calc R . .
C14 C 0.4819(4) 0.8800(2) 0.9815(3) 0.0359(11) Uani 1 1 d . . .
H14 H 0.4550 0.9105 1.0105 0.043 Uiso 1 1 calc R . .
C15 C 0.5060(3) 0.88398(17) 0.8900(3) 0.0211(8) Uani 1 1 d . . .
C16 C 0.4920(3) 0.93743(17) 0.8370(3) 0.0205(8) Uani 1 1 d . . .
C17 C 0.4405(3) 0.98329(19) 0.8705(3) 0.0309(10) Uani 1 1 d . . .
H17 H 0.4111 0.9805 0.9260 0.037 Uiso 1 1 calc R . .
C18 C 0.4344(4) 1.03236(19) 0.8199(3) 0.0322(10) Uani 1 1 d . . .
H18 H 0.4005 1.0629 0.8408 0.039 Uiso 1 1 calc R . .
C19 C 0.4795(3) 1.03564(18) 0.7371(3) 0.0278(9) Uani 1 1 d . . .
H19 H 0.4777 1.0687 0.7030 0.033 Uiso 1 1 calc R . .
C20 C 0.5277(3) 0.98821(17) 0.7059(3) 0.0205(8) Uani 1 1 d . . .
C21 C 0.5744(3) 0.98822(16) 0.6161(3) 0.0185(8) Uani 1 1 d . . .
C22 C 0.6007(3) 1.03833(18) 0.5735(3) 0.0265(9) Uani 1 1 d . . .
H22 H 0.5892 1.0729 0.6010 0.032 Uiso 1 1 calc R . .
C23 C 0.6439(3) 1.03645(19) 0.4905(3) 0.0310(10) Uani 1 1 d . . .
H23 H 0.6620 1.0695 0.4618 0.037 Uiso 1 1 calc R . .
C24 C 0.6597(3) 0.98405(19) 0.4507(3) 0.0267(9) Uani 1 1 d . . .
H24 H 0.6886 0.9815 0.3949 0.032 Uiso 1 1 calc R . .
C25 C 0.6312(3) 0.93510(18) 0.4962(3) 0.0221(8) Uani 1 1 d . . .
H25 H 0.6411 0.9003 0.4689 0.027 Uiso 1 1 calc R . .
O31 O 0.41874(18) 0.85566(11) 0.68852(18) 0.0180(6) Uani 1 1 d . . .
C32 C 0.3506(3) 0.82479(16) 0.6654(3) 0.0180(8) Uani 1 1 d . . .
H32 H 0.3628 0.7900 0.6390 0.022 Uiso 1 1 calc R . .
N33 N 0.2619(2) 0.83921(14) 0.6767(2) 0.0195(7) Uani 1 1 d . . .
C34 C 0.1842(3) 0.8018(2) 0.6483(3) 0.0287(10) Uani 1 1 d . . .
H34A H 0.1263 0.8195 0.6623 0.043 Uiso 1 1 calc R . .
H34B H 0.1895 0.7666 0.6804 0.043 Uiso 1 1 calc R . .
H34C H 0.1863 0.7951 0.5839 0.043 Uiso 1 1 calc R . .
C35 C 0.2357(3) 0.8940(2) 0.7161(4) 0.0402(12) Uani 1 1 d . . .
H35A H 0.1693 0.8964 0.7188 0.060 Uiso 1 1 calc R . .
H35B H 0.2582 0.9239 0.6786 0.060 Uiso 1 1 calc R . .
H35C H 0.2625 0.8974 0.7764 0.060 Uiso 1 1 calc R . .
O41 O 0.53284(19) 0.75183(11) 0.68546(18) 0.0195(6) Uani 1 1 d . . .
C42 C 0.5268(3) 0.70838(17) 0.6370(3) 0.0179(8) Uani 1 1 d . . .
H42 H 0.5242 0.7134 0.5741 0.021 Uiso 1 1 calc R . .
N43 N 0.5237(3) 0.65613(14) 0.6675(2) 0.0234(7) Uani 1 1 d . . .
C44 C 0.5276(5) 0.6443(2) 0.7652(3) 0.0520(16) Uani 1 1 d . . .
H44A H 0.5243 0.6043 0.7749 0.078 Uiso 1 1 calc R . .
H44B H 0.4762 0.6623 0.7938 0.078 Uiso 1 1 calc R . .
H44C H 0.5847 0.6585 0.7913 0.078 Uiso 1 1 calc R . .
C45 C 0.5159(4) 0.60673(19) 0.6058(3) 0.0382(12) Uani 1 1 d . . .
H45A H 0.5146 0.5728 0.6414 0.057 Uiso 1 1 calc R . .
H45B H 0.5683 0.6058 0.5668 0.057 Uiso 1 1 calc R . .
H45C H 0.4598 0.6096 0.5693 0.057 Uiso 1 1 calc R . .
O51 O 0.69899(18) 0.81934(12) 0.57118(18) 0.0202(6) Uani 1 1 d D . .
C52A C 0.7172(4) 0.7806(3) 0.5187(5) 0.0295(16) Uani 0.704(8) 1 d PD A 1
H52 H 0.6870 0.7463 0.5255 0.035 Uiso 1 1 calc R A 1
N53A N 0.7791(4) 0.7858(3) 0.4519(4) 0.0316(15) Uani 0.704(8) 1 d PD A 1
C54A C 0.8380(5) 0.8368(3) 0.4428(5) 0.042(2) Uani 0.704(8) 1 d PD A 1
C52B C 0.7324(12) 0.8080(7) 0.4961(14) 0.045(5) Uiso 0.296(8) 1 d PD A 2
N53B N 0.7601(8) 0.7547(5) 0.4692(7) 0.016(3) Uiso 0.296(8) 1 d PD A 2
C54B C 0.7500(15) 0.7070(8) 0.5305(14) 0.058(6) Uiso 0.296(8) 1 d PD A 2
C55 C 0.7916(4) 0.7430(3) 0.3812(4) 0.0605(19) Uani 1 1 d D . .
O61 O 0.71734(18) 0.90556(12) 0.71762(19) 0.0218(6) Uani 1 1 d . . .
C62 C 0.8035(3) 0.9028(2) 0.7247(4) 0.0455(15) Uani 1 1 d . A .
H62 H 0.8279 0.8683 0.7436 0.055 Uiso 1 1 calc R . .
N63 N 0.8641(3) 0.9426(2) 0.7088(3) 0.0393(10) Uani 1 1 d . . .
C64 C 0.9657(4) 0.9354(3) 0.7193(7) 0.090(3) Uani 1 1 d . A .
H64A H 0.9961 0.9699 0.7034 0.134 Uiso 1 1 calc R . .
H64B H 0.9856 0.9056 0.6800 0.134 Uiso 1 1 calc R . .
H64C H 0.9813 0.9259 0.7815 0.134 Uiso 1 1 calc R . .
C65 C 0.8352(6) 0.9941(5) 0.6700(10) 0.176(8) Uani 1 1 d . A .
H65A H 0.8880 1.0183 0.6635 0.264 Uiso 1 1 calc R . .
H65B H 0.7914 1.0118 0.7090 0.264 Uiso 1 1 calc R . .
H65C H 0.8065 0.9873 0.6112 0.264 Uiso 1 1 calc R . .
O71 O 0.7200(3) 1.04615(16) 0.9472(3) 0.0491(10) Uani 1 1 d . . .
H71 H 0.7548 1.0469 0.9924 0.074 Uiso 1 1 calc R . .
C72 C 0.7317(7) 0.9954(3) 0.9011(5) 0.083(3) Uani 1 1 d . . .
H72A H 0.7857 0.9991 0.8635 0.100 Uiso 1 1 calc R . .
H72B H 0.6783 0.9901 0.8602 0.100 Uiso 1 1 calc R . .
C73 C 0.7431(6) 0.9440(3) 0.9564(5) 0.074(2) Uani 1 1 d . . .
H73A H 0.7488 0.9120 0.9169 0.111 Uiso 1 1 calc R . .
H73B H 0.6899 0.9393 0.9937 0.111 Uiso 1 1 calc R . .
H73C H 0.7979 0.9473 0.9946 0.111 Uiso 1 1 calc R . .
O1 O 0.2243(3) 1.13684(15) 0.8179(2) 0.0411(9) Uani 1 1 d . . .
O2 O 0.1707(3) 1.02796(16) 0.7621(3) 0.0486(10) Uani 1 1 d . . .
O3 O 0.8585(3) 1.05148(17) 0.0912(3) 0.0489(10) Uani 1 1 d . . .
O4 O 0.0968(4) 1.0318(2) 0.5834(3) 0.0779(16) Uani 1 1 d . . .
O5 O 0.9119(4) 1.0757(2) 0.4944(4) 0.0851(17) Uani 1 1 d . . .
O6B O 0.9470(8) 0.8681(5) 0.4807(8) 0.040(3) Uiso 0.296(8) 1 d P . .
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'
W W -0.8490 6.8722 '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
C1 W1 C5 144.59(13) . .
C1 W1 C6 142.35(14) . .
C5 W1 C6 71.39(13) . .
C1 W1 C4 110.33(15) . .
C5 W1 C4 81.14(15) . .
C6 W1 C4 79.35(15) . .
C1 W1 C3 77.01(14) . .
C5 W1 C3 74.42(14) . .
C6 W1 C3 118.59(14) . .
C4 W1 C3 141.64(15) . .
C1 W1 C8 72.68(13) . .
C5 W1 C8 142.03(13) . .
C6 W1 C8 75.07(14) . .
C4 W1 C8 75.63(14) . .
C3 W1 C8 139.33(14) . .
C1 W1 C2 75.95(14) . .
C5 W1 C2 76.50(14) . .
C6 W1 C2 139.35(14) . .
C4 W1 C2 71.57(14) . .
C3 W1 C2 74.24(14) . .
C8 W1 C2 122.15(14) . .
C1 W1 C7 80.27(14) . .
C5 W1 C7 109.94(15) . .
C6 W1 C7 73.62(14) . .
C4 W1 C7 145.02(14) . .
C3 W1 C7 72.40(14) . .
C8 W1 C7 76.25(14) . .
C2 W1 C7 142.48(14) . .
N1 C1 W1 176.8(3) . .
C1 N1 Dy 171.6(3) . .
N2 C2 W1 179.0(4) . .
N3 C3 W1 178.1(4) . .
N4 C4 W1 178.9(4) . .
N5 C5 W1 177.2(3) . .
C5 N5 Dy 169.8(3) . 4_575
N6 C6 W1 177.5(3) . .
N7 C7 W1 179.5(4) . .
N8 C8 W1 179.2(4) . .
O51 Dy O41 89.23(10) . .
O51 Dy O61 76.53(10) . .
O41 Dy O61 140.97(10) . .
O51 Dy O31 139.83(9) . .
O41 Dy O31 75.94(9) . .
O61 Dy O31 136.06(9) . .
O51 Dy N5 69.54(10) . 4_676
O41 Dy N5 70.40(10) . 4_676
O61 Dy N5 70.57(11) . 4_676
O31 Dy N5 134.71(10) . 4_676
O51 Dy N1 70.25(10) . .
O41 Dy N1 73.15(10) . .
O61 Dy N1 131.66(10) . .
O31 Dy N1 69.75(9) . .
N5 Dy N1 125.01(10) 4_676 .
O51 Dy N11 141.61(10) . .
O41 Dy N11 78.95(10) . .
O61 Dy N11 89.96(10) . .
O31 Dy N11 72.44(10) . .
N5 Dy N11 72.09(10) 4_676 .
N1 Dy N11 137.21(10) . .
O51 Dy N12 137.59(10) . .
O41 Dy N12 133.17(10) . .
O61 Dy N12 69.60(10) . .
O31 Dy N12 66.48(10) . .
N5 Dy N12 119.30(11) 4_676 .
N1 Dy N12 115.69(10) . .
N11 Dy N12 64.10(10) . .
O51 Dy N13 80.06(10) . .
O41 Dy N13 144.87(10) . .
O61 Dy N13 68.70(10) . .
O31 Dy N13 90.92(10) . .
N5 Dy N13 133.55(10) 4_676 .
N1 Dy N13 71.74(10) . .
N11 Dy N13 128.41(10) . .
N12 Dy N13 64.48(10) . .
C11 N11 C15 118.1(3) . .
C11 N11 Dy 121.3(2) . .
C15 N11 Dy 120.5(2) . .
C16 N12 C20 118.1(3) . .
C16 N12 Dy 120.2(2) . .
C20 N12 Dy 120.3(2) . .
C25 N13 C21 117.9(3) . .
C25 N13 Dy 120.3(3) . .
C21 N13 Dy 119.5(2) . .
N11 C11 C12 123.3(4) . .
N11 C11 H11 118.3 . .
C12 C11 H11 118.3 . .
C13 C12 C11 118.4(4) . .
C13 C12 H12 120.8 . .
C11 C12 H12 120.8 . .
C12 C13 C14 119.4(4) . .
C12 C13 H13 120.3 . .
C14 C13 H13 120.3 . .
C13 C14 C15 119.5(4) . .
C13 C14 H14 120.2 . .
C15 C14 H14 120.2 . .
N11 C15 C14 121.3(4) . .
N11 C15 C16 117.2(3) . .
C14 C15 C16 121.5(4) . .
N12 C16 C17 121.9(4) . .
N12 C16 C15 115.6(3) . .
C17 C16 C15 122.4(4) . .
C18 C17 C16 119.2(4) . .
C18 C17 H17 120.4 . .
C16 C17 H17 120.4 . .
C17 C18 C19 119.3(4) . .
C17 C18 H18 120.3 . .
C19 C18 H18 120.3 . .
C18 C19 C20 119.0(4) . .
C18 C19 H19 120.5 . .
C20 C19 H19 120.5 . .
N12 C20 C19 122.2(4) . .
N12 C20 C21 116.1(3) . .
C19 C20 C21 121.7(4) . .
N13 C21 C22 121.8(4) . .
N13 C21 C20 116.4(3) . .
C22 C21 C20 121.8(4) . .
C23 C22 C21 120.0(4) . .
C23 C22 H22 120.0 . .
C21 C22 H22 120.0 . .
C22 C23 C24 118.7(4) . .
C22 C23 H23 120.7 . .
C24 C23 H23 120.7 . .
C23 C24 C25 119.0(4) . .
C23 C24 H24 120.5 . .
C25 C24 H24 120.5 . .
N13 C25 C24 122.7(4) . .
N13 C25 H25 118.7 . .
C24 C25 H25 118.7 . .
C32 O31 Dy 134.7(2) . .
O31 C32 N33 123.9(4) . .
O31 C32 H32 118.1 . .
N33 C32 H32 118.1 . .
C32 N33 C35 121.9(3) . .
C32 N33 C34 122.0(4) . .
C35 N33 C34 116.0(3) . .
N33 C34 H34A 109.5 . .
N33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
N33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
N33 C35 H35A 109.5 . .
N33 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
N33 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C42 O41 Dy 140.3(3) . .
O41 C42 N43 125.6(4) . .
O41 C42 H42 117.2 . .
N43 C42 H42 117.2 . .
C42 N43 C44 120.9(4) . .
C42 N43 C45 122.6(4) . .
C44 N43 C45 116.6(4) . .
N43 C44 H44A 109.5 . .
N43 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
N43 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
N43 C45 H45A 109.5 . .
N43 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
N43 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
C52A O51 Dy 141.2(4) . .
C52B O51 Dy 158.2(8) . .
O51 C52A N53A 122.9(6) . .
O51 C52A H52 118.5 . .
N53A C52A H52 118.5 . .
C52A N53A C55 123.2(6) . .
C52A N53A C54A 122.0(6) . .
C55 N53A C54A 114.8(6) . .
N53A C54A O6B 143.0(7) . .
O51 C52B N53B 124.8(16) . .
C52B N53B C55 122.9(13) . .
C52B N53B C54B 120.0(14) . .
C55 N53B C54B 116.9(12) . .
C62 O61 Dy 140.5(3) . .
O61 C62 N63 128.0(5) . .
O61 C62 H62 116.0 . .
N63 C62 H62 116.0 . .
C62 N63 C65 120.4(5) . .
C62 N63 C64 124.1(5) . .
C65 N63 C64 115.1(5) . .
N63 C64 H64A 109.5 . .
N63 C64 H64B 109.5 . .
H64A C64 H64B 109.5 . .
N63 C64 H64C 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
N63 C65 H65A 109.5 . .
N63 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
N63 C65 H65C 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
C72 O71 H71 109.5 . .
O71 C72 C73 117.4(6) . .
O71 C72 H72A 108.0 . .
C73 C72 H72A 108.0 . .
O71 C72 H72B 108.0 . .
C73 C72 H72B 108.0 . .
H72A C72 H72B 107.2 . .
C72 C73 H73A 109.5 . .
C72 C73 H73B 109.5 . .
H73A C73 H73B 109.5 . .
C72 C73 H73C 109.5 . .
H73A C73 H73C 109.5 . .
H73B C73 H73C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 C1 2.172(4) .
W1 C5 2.173(4) .
W1 C6 2.174(4) .
W1 C4 2.190(4) .
W1 C3 2.193(4) .
W1 C8 2.203(4) .
W1 C2 2.206(4) .
W1 C7 2.207(4) .
C1 N1 1.157(5) .
N1 Dy 2.542(3) .
C2 N2 1.162(5) .
C3 N3 1.154(5) .
C4 N4 1.156(5) .
C5 N5 1.162(5) .
N5 Dy 2.520(3) 4_575
C6 N6 1.159(5) .
C7 N7 1.161(5) .
C8 N8 1.165(5) .
Dy O51 2.392(3) .
Dy O41 2.398(3) .
Dy O61 2.407(3) .
Dy O31 2.415(3) .
Dy N5 2.520(3) 4_676
Dy N11 2.554(3) .
Dy N12 2.566(3) .
Dy N13 2.569(3) .
N11 C11 1.357(5) .
N11 C15 1.365(5) .
N12 C16 1.363(5) .
N12 C20 1.363(5) .
N13 C25 1.351(5) .
N13 C21 1.369(5) .
C11 C12 1.389(5) .
C11 H11 0.9300 .
C12 C13 1.387(7) .
C12 H12 0.9300 .
C13 C14 1.395(7) .
C13 H13 0.9300 .
C14 C15 1.398(5) .
C14 H14 0.9300 .
C15 C16 1.497(6) .
C16 C17 1.412(6) .
C17 C18 1.382(7) .
C17 H17 0.9300 .
C18 C19 1.395(6) .
C18 H18 0.9300 .
C19 C20 1.405(6) .
C19 H19 0.9300 .
C20 C21 1.494(6) .
C21 C22 1.399(5) .
C22 C23 1.383(6) .
C22 H22 0.9300 .
C23 C24 1.394(7) .
C23 H23 0.9300 .
C24 C25 1.405(6) .
C24 H24 0.9300 .
C25 H25 0.9300 .
O31 C32 1.264(5) .
C32 N33 1.338(5) .
C32 H32 0.9300 .
N33 C35 1.475(6) .
N33 C34 1.479(5) .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
C35 H35A 0.9600 .
C35 H35B 0.9600 .
C35 H35C 0.9600 .
O41 C42 1.254(5) .
C42 N43 1.318(5) .
C42 H42 0.9300 .
N43 C44 1.461(6) .
N43 C45 1.482(6) .
C44 H44A 0.9600 .
C44 H44B 0.9600 .
C44 H44C 0.9600 .
C45 H45A 0.9600 .
C45 H45B 0.9600 .
C45 H45C 0.9600 .
O51 C52A 1.230(7) .
O51 C52B 1.24(2) .
C52A N53A 1.348(8) .
C52A H52 0.9300 .
N53A C55 1.465(7) .
N53A C54A 1.485(10) .
C54A O6B 1.811(15) .
C52B N53B 1.385(15) .
N53B C55 1.408(12) .
N53B C54B 1.455(16) .
O61 C62 1.245(5) .
C62 N63 1.310(6) .
C62 H62 0.9300 .
N63 C65 1.406(9) .
N63 C64 1.478(8) .
C64 H64A 0.9600 .
C64 H64B 0.9600 .
C64 H64C 0.9600 .
C65 H65A 0.9600 .
C65 H65B 0.9600 .
C65 H65C 0.9600 .
O71 C72 1.392(8) .
O71 H71 0.8200 .
C72 C73 1.471(9) .
C72 H72A 0.9700 .
C72 H72B 0.9700 .
C73 H73A 0.9600 .
C73 H73B 0.9600 .
C73 H73C 0.9600 .
