#------------------------------------------------------------------------------
#$Date: 2018-10-18 05:35:34 +0300 (Thu, 18 Oct 2018) $
#$Revision: 211522 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/12/2021261.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2021261
loop_
_publ_author_name
'Derakhshanrad, Shadi'
'Mirzaei, Masoud'
'Najafi, Atefeh'
'Ritchie, Chris'
'Bauzá, Antonio'
'Frontera, Antonio'
'Mague, Joel T.'
_publ_section_title
;
 Surface-grafted lanthanoid complexes of the tungstosilicate polyanion
 [SiW₁₂O₄₀]^4{-^}: a synthetic, structural and computational
 investigation
;
_journal_coeditor_code           JR3020
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229618009580
_journal_volume                  74
_journal_year                    2018
_chemical_absolute_configuration syn
_chemical_formula_iupac
'[Dy Na (C14 H6 N2 O4)3 (H2 O)9 (Si W12 O40)], 12H2 O'
_chemical_formula_moiety         'C42 H18 Dy3 N6 Na1 O61.5 Si1 W12, 12(O)'
_chemical_formula_sum            'C42 H18 Dy3 N6 Na O73.5 Si W12'
_chemical_formula_weight         4527.40
_chemical_name_systematic
;
Sodium tris[triaqua(μ-1,10-phenanthroline-2,9-dicarboxylato)dysprosium(III)]
silicododecatungstate dodecahydrate
;
_space_group_crystal_system      trigonal
_space_group_IT_number           146
_space_group_name_Hall           'R 3'
_space_group_name_H-M_alt        'R 3'
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   20.3334(3)
_cell_length_b                   20.3334(3)
_cell_length_c                   18.7836(3)
_cell_measurement_reflns_used    11603
_cell_measurement_temperature    130.00(10)
_cell_measurement_theta_max      76.7970
_cell_measurement_theta_min      4.3290
_cell_volume                     6725.58(18)
_computing_cell_refinement
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_data_collection
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_data_reduction
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      130.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.2273
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0299
_diffrn_reflns_av_unetI/netI     0.0300
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            16672
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.058
_diffrn_reflns_theta_min         3.440
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    41.928
_exptl_absorpt_correction_T_max  0.369
_exptl_absorpt_correction_T_min  0.097
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
(CrysAlis PRO; Rigaku OD, 2015)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.353
_exptl_crystal_description       block
_exptl_crystal_F_000             6033
_exptl_crystal_size_max          0.066
_exptl_crystal_size_mid          0.047
_exptl_crystal_size_min          0.031
_refine_diff_density_max         1.533
_refine_diff_density_min         -1.890
_refine_ls_abs_structure_details
;
Classical Flack method preferred over Parsons because s.u. lower
;
_refine_ls_abs_structure_Flack   0.013(7)
_refine_ls_extinction_coef       0.000018(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method
;
SHELXL2014 (Sheldrick, 2015b)
;
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     426
_refine_ls_number_reflns         5475
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0355
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0696P)²+182.8632P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0975
_refine_ls_wR_factor_ref         0.0976
_reflns_number_gt                5450
_reflns_number_total             5475
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            jr3020sup1.cif
_cod_data_source_block           d23_4
_cod_original_cell_volume        6725.60(19)
_cod_original_formula_sum        'C42 H18 Dy3 N6 Na O73.50 Si W12'
_cod_database_code               2021261
_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   0.168
_shelx_estimated_absorpt_t_max   0.356
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
W W4 0.44911(3) 0.69357(3) 0.56892(4) 0.01497(17) Uani d 1
W W1 0.41288(4) 0.77239(4) 0.87226(4) 0.01785(18) Uani d 1
W W2 0.52603(4) 0.80714(4) 0.70932(4) 0.01734(18) Uani d 1
W W3 0.48229(4) 0.62447(4) 0.71593(4) 0.02049(19) Uani d 1
Dy Dy1 0.51195(5) 0.65952(5) 0.37516(5) 0.0164(2) Uani d 1
Si Si1 0.3333 0.6667 0.7162(4) 0.0118(11) Uani d 1
Na Na1 0.3333 0.6667 0.2727(9) 0.043(3) Uani d 1
O O3 0.4885(6) 0.7885(6) 0.8053(6) 0.017(2) Uani d 1
O O8 0.5293(6) 0.7869(5) 0.6112(6) 0.0158(19) Uani d 1
O O12 0.4913(6) 0.6406(6) 0.6149(6) 0.016(2) Uani d 1
O O11 0.4427(5) 0.6170(6) 0.8083(6) 0.017(2) Uani d 1
O O6 0.6133(6) 0.8872(6) 0.7191(7) 0.021(2) Uani d 1
O O7 0.5555(5) 0.7296(6) 0.7265(6) 0.017(2) Uani d 1
O O2 0.4173(6) 0.6883(6) 0.9140(6) 0.017(2) Uani d 1
O O1 0.4622(7) 0.8404(7) 0.9358(6) 0.024(2) Uani d 1
O O15 0.2638(6) 0.4988(7) 0.3514(7) 0.024(2) Uani d 1
O O10 0.5381(6) 0.5854(6) 0.7255(6) 0.020(2) Uani d 1
C C10 0.5397(10) 0.5640(10) 0.5073(9) 0.024(3) Uani d 1
O O13 0.4852(6) 0.7001(6) 0.4845(6) 0.018(2) Uani d 1
O O17 0.6409(6) 0.7464(6) 0.3883(8) 0.030(3) Uani d 1
O O20 0.5127(8) 0.6757(8) 0.2497(7) 0.033(3) Uani d 1
C C9 0.5742(12) 0.5423(11) 0.5605(11) 0.031(4) Uani d 1
O O21 0.3066(8) 0.5641(8) 0.1948(9) 0.038(3) Uani d 1
O O16 0.3803(6) 0.5977(7) 0.3480(7) 0.022(2) Uani d 1
N N1 0.4311(7) 0.5416(7) 0.4422(7) 0.017(2) Uani d 1
O O9 0.4179(5) 0.6902(5) 0.6868(5) 0.0102(17) Uani d 1
C C1 0.3314(8) 0.5341(8) 0.3712(8) 0.017(3) Uani d 1
C C4 0.3389(10) 0.4085(9) 0.5160(10) 0.026(3) Uani d 1
H H4 0.3069 0.3627 0.5409 0.031 Uiso calc 1
C C6 0.4613(9) 0.5179(8) 0.4940(9) 0.018(3) Uani d 1
C C2 0.3576(8) 0.5003(9) 0.4272(9) 0.019(3) Uani d 1
C C8 0.5273(12) 0.4744(12) 0.5997(11) 0.033(4) Uani d 1
H H8 0.5501 0.4596 0.6357 0.040 Uiso calc 1
O O18 0.7546(9) 0.7895(10) 0.4416(16) 0.081(8) Uani d 1
C C12 0.6903(10) 0.6552(12) 0.5338(11) 0.034(4) Uani d 1
H H12 0.7430 0.6887 0.5413 0.041 Uiso calc 1
C C13 0.6505(9) 0.6725(9) 0.4802(11) 0.027(4) Uani d 1
C C3 0.3093(10) 0.4326(10) 0.4634(11) 0.029(4) Uani d 1
H H3 0.2570 0.4039 0.4516 0.035 Uiso calc 1
N N2 0.5771(7) 0.6266(7) 0.4684(8) 0.020(3) Uani d 1
C C5 0.4156(11) 0.4509(10) 0.5333(12) 0.030(4) Uani d 1
C C11 0.6533(12) 0.5922(13) 0.5729(11) 0.036(5) Uani d 1
H H11 0.6792 0.5807 0.6085 0.043 Uiso calc 1
C C7 0.4529(13) 0.4307(11) 0.5880(11) 0.035(4) Uani d 1
H H7 0.4241 0.3862 0.6157 0.041 Uiso calc 1
C C14 0.6855(10) 0.7409(10) 0.4339(14) 0.038(5) Uani d 1
O O4 0.3333 0.6667 0.8022(9) 0.011(3) Uani d 1
O O14 0.3542(5) 0.6058(6) 0.5595(6) 0.017(2) Uani d 1
O O5 0.4639(6) 0.8485(6) 0.6953(6) 0.016(2) Uani d 1
O O19 0.5444(8) 0.5750(7) 0.3202(8) 0.033(3) Uani d 1
O O25 0.9043(12) 0.8861(17) 0.3944(13) 0.097(10) Uani d 1
O O23 0.440(2) 0.5157(19) 0.207(2) 0.135(15) Uani d 1
O O26 0.7339(19) 0.992(3) 0.622(2) 0.066(11) Uani d 0.5
O O28 0.525(2) 1.000(2) 0.950(2) 0.058(9) Uiso d 0.5
O O27 0.578(2) 1.010(2) 0.775(2) 0.061(9) Uiso d 0.5
O O22 0.3333 0.6667 0.126(3) 0.050(13) Uiso d 0.5
O O24 0.362(3) 0.473(3) 0.083(2) 0.087(16) Uani d 0.5
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.1353 0.1239 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -5.4734 5.5774 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
5 -11 6 0.0256
-4 8 -9 0.0210
-11 1 -5 0.0305
1 -8 9 0.0178
5 -7 -10 0.0108
-5 12 -6 0.0204
-4 5 11 0.0181
11 -1 5 0.0219
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O8 W4 O9 . . 73.7(4)
O12 W4 O8 . . 88.4(4)
O12 W4 O9 . . 74.9(4)
O12 W4 O14 . 2_665 157.7(5)
O13 W4 O8 . . 100.6(5)
O13 W4 O12 . . 99.6(5)
O13 W4 O9 . . 172.0(4)
O13 W4 O14 . 2_665 102.6(5)
O13 W4 O14 . . 100.6(5)
O14 W4 O8 . . 158.4(5)
O14 W4 O8 2_665 . 85.4(4)
O14 W4 O12 . . 92.6(5)
O14 W4 O9 2_665 . 82.8(4)
O14 W4 O9 . . 85.7(4)
O14 W4 O14 . 2_665 85.6(6)
O3 W1 O11 . 2_665 86.9(5)
O3 W1 O2 . 2_665 158.6(4)
O3 W1 O2 . . 91.7(4)
O3 W1 O4 . . 85.1(4)
O11 W1 O2 2_665 2_665 86.9(4)
O11 W1 O2 2_665 . 158.5(5)
O11 W1 O4 2_665 . 84.1(4)
O2 W1 O2 . 2_665 86.7(6)
O2 W1 O4 . . 74.4(4)
O2 W1 O4 2_665 . 73.9(4)
O1 W1 O3 . . 103.1(5)
O1 W1 O11 . 2_665 101.7(5)
O1 W1 O2 . . 99.5(5)
O1 W1 O2 . 2_665 98.2(5)
O1 W1 O4 . . 170.1(5)
O3 W2 O7 . . 86.4(5)
O3 W2 O9 . . 83.7(4)
O8 W2 O3 . . 157.4(4)
O8 W2 O7 . . 85.9(4)
O8 W2 O9 . . 73.8(4)
O6 W2 O3 . . 101.9(5)
O6 W2 O8 . . 100.3(5)
O6 W2 O7 . . 99.0(5)
O6 W2 O9 . . 170.9(4)
O6 W2 O5 . . 101.6(5)
O7 W2 O9 . . 73.9(4)
O5 W2 O3 . . 86.0(5)
O5 W2 O8 . . 93.8(4)
O5 W2 O7 . . 159.1(4)
O5 W2 O9 . . 85.9(4)
O12 W3 O9 . . 72.9(4)
O12 W3 O5 . 3_565 85.8(5)
O11 W3 O12 . . 157.5(4)
O11 W3 O7 . . 93.3(5)
O11 W3 O9 . . 85.6(4)
O11 W3 O5 . 3_565 84.9(4)
O7 W3 O12 . . 87.5(5)
O7 W3 O9 . . 74.5(4)
O7 W3 O5 . 3_565 157.4(4)
O10 W3 O12 . . 99.0(5)
O10 W3 O11 . . 103.0(5)
O10 W3 O7 . . 100.6(5)
O10 W3 O9 . . 170.5(5)
O10 W3 O5 . 3_565 101.7(5)
O5 W3 O9 3_565 . 82.9(4)
O15 Dy1 O13 2_665 . 72.5(4)
O15 Dy1 O17 2_665 . 84.8(4)
O15 Dy1 O20 2_665 . 71.1(5)
O15 Dy1 O16 2_665 . 81.1(4)
O15 Dy1 N1 2_665 . 132.5(4)
O15 Dy1 N2 2_665 . 134.4(4)
O15 Dy1 O19 2_665 . 141.5(4)
O13 Dy1 O20 . . 142.7(4)
O13 Dy1 N1 . . 74.9(4)
O13 Dy1 N2 . . 74.3(4)
O17 Dy1 O13 . . 90.6(4)
O17 Dy1 O20 . . 94.2(5)
O17 Dy1 O16 . . 165.4(4)
O17 Dy1 N1 . . 129.3(5)
O17 Dy1 N2 . . 65.1(5)
O17 Dy1 O19 . . 88.9(5)
O20 Dy1 N1 . . 126.5(5)
O20 Dy1 N2 . . 140.3(4)
O16 Dy1 O13 . . 88.6(4)
O16 Dy1 O20 . . 77.8(4)
O16 Dy1 N1 . . 64.4(4)
O16 Dy1 N2 . . 128.4(4)
N1 Dy1 N2 . . 64.1(4)
O19 Dy1 O13 . . 145.6(4)
O19 Dy1 O20 . . 71.5(5)
O19 Dy1 O16 . . 99.9(5)
O19 Dy1 N1 . . 79.0(4)
O19 Dy1 N2 . . 74.4(5)
O9 Si1 O9 2_665 3_565 109.2(4)
O9 Si1 O9 2_665 . 109.2(4)
O9 Si1 O9 3_565 . 109.2(4)
O4 Si1 O9 . 3_565 109.8(4)
O4 Si1 O9 . . 109.8(4)
O4 Si1 O9 . 2_665 109.8(4)
O21 Na1 O21 3_565 2_665 86.1(7)
O21 Na1 O21 3_565 . 86.1(7)
O21 Na1 O21 2_665 . 86.1(7)
O21 Na1 O16 . 3_565 104.8(4)
O21 Na1 O16 . 2_665 162.2(4)
O21 Na1 O16 . . 80.8(5)
O21 Na1 O16 2_665 3_565 162.2(4)
O21 Na1 O16 2_665 . 104.8(4)
O21 Na1 O16 2_665 2_665 80.8(5)
O21 Na1 O16 3_565 . 162.2(4)
O21 Na1 O16 3_565 2_665 104.8(4)
O21 Na1 O16 3_565 3_565 80.8(5)
O21 Na1 O22 . . 52.0(5)
O21 Na1 O22 2_665 . 52.0(5)
O21 Na1 O22 3_565 . 52.0(5)
O16 Na1 O16 2_665 . 91.0(6)
O16 Na1 O16 3_565 . 91.0(6)
O16 Na1 O16 3_565 2_665 91.0(6)
O16 Na1 O22 3_565 . 124.5(4)
O16 Na1 O22 2_665 . 124.5(4)
O16 Na1 O22 . . 124.5(4)
W1 O3 W2 . . 150.5(6)
W2 O8 W4 . . 120.3(5)
W4 O12 W3 . . 121.2(5)
W3 O11 W1 . 3_565 151.5(6)
W3 O7 W2 . . 120.0(5)
W1 O2 W1 . 3_565 120.1(6)
C1 O15 Dy1 . 3_565 141.1(10)
C6 C10 C9 . . 119.4(17)
N2 C10 C9 . . 123.5(16)
N2 C10 C6 . . 117.1(15)
W4 O13 Dy1 . . 158.6(6)
C14 O17 Dy1 . . 125.2(11)
C10 C9 C8 . . 118.1(18)
C10 C9 C11 . . 116.9(18)
C11 C9 C8 . . 125.0(19)
Dy1 O16 Na1 . . 118.1(5)
C1 O16 Dy1 . . 125.2(10)
C1 O16 Na1 . . 116.6(9)
C6 N1 Dy1 . . 120.7(10)
C2 N1 Dy1 . . 119.8(11)
C2 N1 C6 . . 119.5(13)
W4 O9 W2 . . 92.2(3)
W4 O9 W3 . . 91.0(3)
W2 O9 W3 . . 91.6(3)
Si1 O9 W4 . . 124.8(6)
Si1 O9 W2 . . 123.7(5)
Si1 O9 W3 . . 123.9(5)
O15 C1 O16 . . 124.7(14)
O15 C1 C2 . . 119.4(14)
O16 C1 C2 . . 116.0(13)
C3 C4 C5 . . 120.2(16)
C10 C6 C5 . . 121.8(16)
N1 C6 C10 . . 116.8(15)
N1 C6 C5 . . 121.3(15)
N1 C2 C1 . . 114.1(14)
N1 C2 C3 . . 122.0(16)
C3 C2 C1 . . 123.9(15)
C7 C8 C9 . . 123.0(17)
C11 C12 C13 . . 120.2(16)
C12 C13 C14 . . 124.9(15)
N2 C13 C12 . . 121.1(17)
N2 C13 C14 . . 114.0(16)
C4 C3 C2 . . 119.0(16)
C10 N2 Dy1 . . 121.3(10)
C13 N2 Dy1 . . 119.5(12)
C13 N2 C10 . . 119.2(15)
C4 C5 C6 . . 117.9(17)
C4 C5 C7 . . 124.8(17)
C6 C5 C7 . . 117.3(17)
C12 C11 C9 . . 119.1(18)
C8 C7 C5 . . 120.3(18)
O17 C14 C13 . . 116.1(15)
O18 C14 O17 . . 124(2)
O18 C14 C13 . . 120(2)
W1 O4 W1 2_665 3_565 91.6(5)
W1 O4 W1 . 3_565 91.6(5)
W1 O4 W1 2_665 . 91.6(5)
Si1 O4 W1 . 2_665 124.2(3)
Si1 O4 W1 . . 124.2(3)
Si1 O4 W1 . 3_565 124.2(3)
W4 O14 W4 . 3_565 151.9(6)
W2 O5 W3 . 2_665 153.0(6)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
W4 O8 . 1.949(10)
W4 O12 . 1.888(10)
W4 O13 . 1.725(11)
W4 O9 . 2.296(10)
W4 O14 2_665 1.940(10)
W4 O14 . 1.870(10)
W1 O3 . 1.884(11)
W1 O11 2_665 1.909(10)
W1 O2 2_665 1.952(10)
W1 O2 . 1.924(10)
W1 O1 . 1.719(11)
W1 O4 . 2.343(10)
W2 O3 . 1.921(11)
W2 O8 . 1.896(11)
W2 O6 . 1.716(10)
W2 O7 . 1.974(11)
W2 O9 . 2.332(9)
W2 O5 . 1.853(10)
W3 O12 . 1.919(11)
W3 O11 . 1.886(11)
W3 O7 . 1.908(10)
W3 O10 . 1.689(11)
W3 O9 . 2.356(9)
W3 O5 3_565 1.938(10)
Dy1 O15 2_665 2.306(10)
Dy1 O13 . 2.375(11)
Dy1 O17 . 2.329(11)
Dy1 O20 . 2.379(13)
Dy1 O16 . 2.374(11)
Dy1 N1 . 2.469(13)
Dy1 N2 . 2.482(14)
Dy1 O19 . 2.364(12)
Si1 O9 . 1.633(10)
Si1 O9 3_565 1.633(10)
Si1 O9 2_665 1.633(10)
Si1 O4 . 1.615(19)
Na1 O21 3_565 2.378(18)
Na1 O21 2_665 2.378(18)
Na1 O21 . 2.378(18)
Na1 O16 2_665 2.494(15)
Na1 O16 . 2.494(15)
Na1 O16 3_565 2.494(15)
Na1 O22 . 2.76(7)
O11 W1 3_565 1.909(10)
O2 W1 3_565 1.952(10)
O15 Dy1 3_565 2.306(10)
O15 C1 . 1.247(19)
C10 C9 . 1.41(3)
C10 C6 . 1.41(2)
C10 N2 . 1.33(2)
O17 C14 . 1.29(2)
C9 C8 . 1.43(3)
C9 C11 . 1.43(3)
O16 C1 . 1.25(2)
N1 C6 . 1.36(2)
N1 C2 . 1.33(2)
C1 C2 . 1.49(2)
C4 C3 . 1.37(3)
C4 C5 . 1.39(3)
C6 C5 . 1.41(2)
C2 C3 . 1.40(2)
C8 C7 . 1.34(3)
O18 C14 . 1.26(2)
C12 C13 . 1.44(3)
C12 C11 . 1.34(3)
C13 N2 . 1.32(2)
C13 C14 . 1.48(3)
C5 C7 . 1.45(3)
O4 W1 2_665 2.343(10)
O4 W1 3_565 2.343(10)
O14 W4 3_565 1.940(10)
O5 W3 2_665 1.938(10)
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
Dy1 O15 C1 O16 3_565 . -87(2)
Dy1 O15 C1 C2 3_565 . 92.5(19)
Dy1 O17 C14 O18 . . -178(2)
Dy1 O17 C14 C13 . . 1(2)
Dy1 O16 C1 O15 . . -172.7(11)
Dy1 O16 C1 C2 . . 8.1(18)
Dy1 N1 C6 C10 . . 0.5(17)
Dy1 N1 C6 C5 . . 179.4(12)
Dy1 N1 C2 C1 . . -2.9(16)
Dy1 N1 C2 C3 . . 179.6(12)
Na1 O16 C1 O15 . . 11(2)
Na1 O16 C1 C2 . . -168.5(10)
O3 W2 O8 W4 . . 3.7(15)
O3 W2 O5 W3 . 2_665 -27.3(13)
O8 W4 O12 W3 . . 72.3(6)
O8 W4 O13 Dy1 . . 145.2(15)
O8 W4 O14 W4 . 3_565 39(2)
O8 W2 O5 W3 . 2_665 130.1(13)
O12 W4 O13 Dy1 . . 55.1(16)
O12 W4 O14 W4 . 3_565 131.1(14)
O12 W3 O11 W1 . 3_565 40(2)
O11 W1 O3 W2 2_665 . -24.7(12)
O6 W2 O8 W4 . . 172.6(6)
O6 W2 O5 W3 . 2_665 -128.6(13)
O7 W2 O8 W4 . . 74.2(6)
O7 W2 O5 W3 . 2_665 42(2)
O7 W3 O11 W1 . 3_565 130.9(13)
O2 W1 O3 W2 . . 133.9(13)
O2 W1 O3 W2 2_665 . 49(2)
O1 W1 O3 W2 . . -125.9(13)
O15 C1 C2 N1 . . 177.7(13)
O15 C1 C2 C3 . . -5(2)
O10 W3 O11 W1 . 3_565 -127.4(13)
C10 C9 C8 C7 . . 0(3)
C10 C9 C11 C12 . . -1(3)
C10 C6 C5 C4 . . -179.3(15)
C10 C6 C5 C7 . . 0(2)
O13 W4 O12 W3 . . 172.8(6)
O13 W4 O14 W4 . 3_565 -128.6(14)
C9 C10 C6 N1 . . 179.9(14)
C9 C10 C6 C5 . . 1(2)
C9 C10 N2 Dy1 . . 179.4(12)
C9 C10 N2 C13 . . -1(2)
C9 C8 C7 C5 . . 0(3)
O16 C1 C2 N1 . . -3.0(19)
O16 C1 C2 C3 . . 174.5(15)
N1 C6 C5 C4 . . 2(2)
N1 C6 C5 C7 . . -179.3(15)
N1 C2 C3 C4 . . 0(3)
O9 W4 O12 W3 . . -1.3(5)
O9 W4 O14 W4 . 3_565 56.5(13)
O9 W2 O8 W4 . . -0.3(5)
O9 W2 O5 W3 . 2_665 56.7(13)
O9 W3 O11 W1 . 3_565 56.8(13)
O9 Si1 O9 W4 2_665 . -62.8(6)
O9 Si1 O9 W4 3_565 . 56.4(7)
O9 Si1 O9 W2 3_565 . 177.8(4)
O9 Si1 O9 W2 2_665 . 58.5(10)
O9 Si1 O9 W3 2_665 . 177.8(4)
O9 Si1 O9 W3 3_565 . -62.9(10)
O9 Si1 O4 W1 . 2_665 178.1(3)
O9 Si1 O4 W1 2_665 . -61.9(3)
O9 Si1 O4 W1 3_565 . 178.1(3)
O9 Si1 O4 W1 . . 58.1(3)
O9 Si1 O4 W1 2_665 3_565 178.1(3)
O9 Si1 O4 W1 3_565 3_565 58.1(3)
O9 Si1 O4 W1 . 3_565 -61.9(3)
O9 Si1 O4 W1 3_565 2_665 -61.9(3)
O9 Si1 O4 W1 2_665 2_665 58.1(3)
C1 C2 C3 C4 . . -177.1(15)
C4 C5 C7 C8 . . 178.6(19)
C6 C10 C9 C8 . . -1(2)
C6 C10 C9 C11 . . -178.3(16)
C6 C10 N2 Dy1 . . -1.1(19)
C6 C10 N2 C13 . . 178.4(14)
C6 N1 C2 C1 . . 178.0(12)
C6 N1 C2 C3 . . 0(2)
C6 C5 C7 C8 . . 0(3)
C2 N1 C6 C10 . . 179.7(13)
C2 N1 C6 C5 . . -1(2)
C8 C9 C11 C12 . . -178(2)
C12 C13 N2 Dy1 . . -179.8(13)
C12 C13 N2 C10 . . 1(2)
C12 C13 C14 O17 . . 179.3(18)
C12 C13 C14 O18 . . -2(3)
C13 C12 C11 C9 . . 0(3)
C3 C4 C5 C6 . . -1(3)
C3 C4 C5 C7 . . -180.0(18)
N2 C10 C9 C8 . . 178.6(16)
N2 C10 C9 C11 . . 1(3)
N2 C10 C6 N1 . . 0(2)
N2 C10 C6 C5 . . -178.5(15)
N2 C13 C14 O17 . . -1(3)
N2 C13 C14 O18 . . 178(2)
C5 C4 C3 C2 . . 0(3)
C11 C9 C8 C7 . . 177.5(19)
C11 C12 C13 N2 . . 0(3)
C11 C12 C13 C14 . . 179.6(19)
C14 C13 N2 Dy1 . . 0(2)
C14 C13 N2 C10 . . -179.3(15)
O4 W1 O3 W2 . . 59.7(12)
O4 Si1 O9 W4 . . 176.8(4)
O4 Si1 O9 W2 . . -61.9(6)
O4 Si1 O9 W3 . . 57.4(6)
O14 W4 O12 W3 . . -86.1(7)
O14 W4 O12 W3 2_665 . -1.2(15)
O14 W4 O13 Dy1 2_665 . -127.2(15)
O14 W4 O13 Dy1 . . -39.4(16)
O14 W4 O14 W4 2_665 3_565 -26.6(16)
O5 W2 O8 W4 . . -84.9(6)
O5 W3 O11 W1 3_565 3_565 -26.5(13)
