#------------------------------------------------------------------------------
#$Date: 2016-03-25 22:29:52 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180013 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/07/7030752.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_7030752
loop_
_publ_author_name
'Mazarakioti, Eleni C.'
'Poole, Katye M.'
'Cunha-Silva, Luis'
'Christou, George'
'Stamatatos, Theocharis C.'
_publ_section_title
;
 A new family of Ln7 clusters with an ideal D3h metal-centered trigonal
 prismatic geometry, and SMM and photoluminescence behaviors.
;
_journal_issue                   30
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11456
_journal_page_last               11460
_journal_paper_doi               10.1039/c4dt00976b
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C87 H120 Dy7 N6 O33, 6(C H4 O)'
_chemical_formula_sum            'C93 H144 Dy7 N6 O39'
_chemical_formula_weight         3107.64
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             '07 March 2014'
_audit_creation_method           'SHELXL-97, manual editing plus enCIFer'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   15.5912(7)
_cell_length_b                   15.5912(7)
_cell_length_c                   28.0106(13)
_cell_measurement_reflns_used    9997
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      33.00
_cell_measurement_theta_min      2.61
_cell_volume                     5896.7(5)
_computing_cell_refinement       'APEX2 '
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT+ (Bruker, 1997-2005)'
_computing_molecular_graphics    'SHELXTL '
_computing_publication_material  'SHELXTL '
_computing_structure_refinement  'SHELXTL '
_computing_structure_solution    'SHELXTL (Bruker 2001)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker X8 Kappa CCD APEX II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0388
_diffrn_reflns_av_sigmaI/netI    0.0164
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            61297
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         3.72
_exptl_absorpt_coefficient_mu    4.455
_exptl_absorpt_correction_T_max  0.8780
_exptl_absorpt_correction_T_min  0.6643
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS (Sheldrick, 1997)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.750
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3036
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         3.030
_refine_diff_density_min         -3.869
_refine_diff_density_rms         0.230
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.275
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     229
_refine_ls_number_reflns         3537
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.275
_refine_ls_R_factor_all          0.0759
_refine_ls_R_factor_gt           0.0726
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0060P)²+175.2583P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1541
_refine_ls_wR_factor_ref         0.1554
_reflns_number_gt                3315
_reflns_number_total             3537
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt00976b2.cif
_cod_data_source_block           em44c
_cod_depositor_comments
'Adding full bibliography for 7030750--7030752.cif.'
_cod_database_code               7030752
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x-y, x, z+1/2'
'-y, x-y, z'
'-x, -y, z+1/2'
'-x+y, -x, z'
'y, -x+y, z+1/2'
'-x, -y, -z'
'-x+y, -x, -z-1/2'
'y, -x+y, -z'
'x, y, -z-1/2'
'x-y, x, -z'
'-y, x-y, -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
Dy2 Dy 0.6667 0.3333 0.2500 0.0201(3) Uani 1 6 d S
Dy1 Dy 0.70742(5) 0.19372(5) 0.34229(2) 0.0362(2) Uani 1 1 d .
O5 O 0.7087(8) 0.1960(8) 0.2500 0.026(2) Uani 1 2 d S
O3 O 0.5766(6) 0.2167(5) 0.3124(3) 0.0254(17) Uani 1 1 d D
H3 H 0.534(8) 0.161(6) 0.296(4) 0.038 Uiso 1 1 d D
O2 O 0.8320(7) 0.2740(7) 0.3974(3) 0.043(2) Uani 1 1 d .
N1 N 0.7338(9) 0.0640(9) 0.3841(4) 0.043(3) Uani 1 1 d .
O1 O 0.5884(7) 0.0312(6) 0.3227(3) 0.041(2) Uani 1 1 d .
O4 O 0.8252(7) 0.1861(7) 0.2903(3) 0.039(2) Uani 1 1 d .
O6 O 0.6100(8) 0.1747(10) 0.4116(4) 0.060(3) Uani 1 1 d D
H6 H 0.548(6) 0.166(14) 0.415(7) 0.091 Uiso 1 1 d D
C14 C 0.7888(12) 0.1897(12) 0.2500 0.029(4) Uani 1 2 d S
C8 C 0.8972(11) 0.1697(11) 0.4199(5) 0.042(3) Uani 1 1 d .
C6 C 0.6558(11) -0.0384(11) 0.3764(6) 0.050(4) Uani 1 1 d .
H6A H 0.6846 -0.0830 0.3780 0.060 Uiso 1 1 calc R
C7 C 0.8123(10) 0.0782(10) 0.4058(5) 0.042(3) Uani 1 1 d .
H7 H 0.8145 0.0201 0.4135 0.050 Uiso 1 1 calc R
C9 C 0.9771(12) 0.1644(14) 0.4403(5) 0.053(4) Uani 1 1 d .
H9 H 0.9728 0.1017 0.4432 0.063 Uiso 1 1 calc R
C2 C 0.5159(13) -0.1515(12) 0.3203(7) 0.065(5) Uani 1 1 d .
H2A H 0.4859 -0.1549 0.2887 0.077 Uiso 1 1 calc R
H2B H 0.5354 -0.2029 0.3214 0.077 Uiso 1 1 calc R
C13 C 0.9055(10) 0.2649(10) 0.4154(4) 0.037(3) Uani 1 1 d .
C10 C 1.0612(12) 0.2474(16) 0.4561(5) 0.060(5) Uani 1 1 d .
H10 H 1.1140 0.2421 0.4700 0.071 Uiso 1 1 calc R
C12 C 0.9928(11) 0.3461(12) 0.4313(5) 0.048(4) Uani 1 1 d .
H12 H 1.0009 0.4104 0.4279 0.058 Uiso 1 1 calc R
C1 C 0.6090(13) -0.0473(12) 0.3273(6) 0.058(4) Uani 1 1 d .
H1 H 0.6589 -0.0384 0.3024 0.070 Uiso 1 1 calc R
C3 C 0.4422(14) -0.1704(14) 0.3586(7) 0.072(5) Uani 1 1 d .
H3A H 0.3828 -0.2362 0.3534 0.087 Uiso 1 1 calc R
H3B H 0.4215 -0.1199 0.3567 0.087 Uiso 1 1 calc R
C11 C 1.0674(13) 0.3369(16) 0.4515(5) 0.061(5) Uani 1 1 d .
H11 H 1.1250 0.3944 0.4625 0.074 Uiso 1 1 calc R
C5 C 0.5767(13) -0.0677(13) 0.4155(6) 0.064(5) Uani 1 1 d .
H5A H 0.6068 -0.0680 0.4466 0.077 Uiso 1 1 calc R
H5B H 0.5573 -0.0163 0.4171 0.077 Uiso 1 1 calc R
C4 C 0.4840(14) -0.1675(12) 0.4086(8) 0.087(7) Uani 1 1 d .
H4A H 0.4343 -0.1774 0.4332 0.104 Uiso 1 1 calc R
H4B H 0.5002 -0.2211 0.4119 0.104 Uiso 1 1 calc R
O7 O 0.4912(9) 0.0300(10) 0.2500 0.038(3) Uiso 1 2 d S
H7A H 0.5136 0.0326 0.2224 0.046 Uiso 0.50 1 calc PR
C15 C 0.6278(14) 0.1723(16) 0.4624(5) 0.068(5) Uani 1 1 d .
H15A H 0.6979 0.1944 0.4677 0.102 Uiso 1 1 calc R
H15B H 0.5872 0.1045 0.4743 0.102 Uiso 1 1 calc R
H15C H 0.6102 0.2163 0.4794 0.102 Uiso 1 1 calc R
C16 C 0.386(2) -0.036(2) 0.2500 0.082(8) Uiso 1 2 d S
H16A H 0.3592 -0.0378 0.2820 0.123 Uiso 0.50 1 calc PR
H16B H 0.3711 -0.1027 0.2410 0.123 Uiso 0.50 1 calc PR
H16C H 0.3546 -0.0125 0.2270 0.123 Uiso 0.50 1 calc PR
C17 C 0.969(3) 0.132(3) 0.3082(13) 0.061(9) Uiso 0.50 1 d P
H17A H 0.9746 0.0845 0.3295 0.091 Uiso 0.50 1 calc PR
H17B H 0.9641 0.1093 0.2751 0.091 Uiso 0.50 1 calc PR
H17C H 0.9101 0.1352 0.3165 0.091 Uiso 0.50 1 calc PR
O8 O 1.045(3) 0.216(3) 0.3128(16) 0.143(14) Uiso 0.50 1 d P
H8 H 1.0761 0.2334 0.2868 0.172 Uiso 0.50 1 calc PR
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'
Dy Dy -0.1892 4.4098 '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'
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
O3 Dy2 O3 139.86(14) 3_655 10_556
O3 Dy2 O3 93.3(4) 3_655 12_656
O3 Dy2 O3 72.9(3) 10_556 12_656
O3 Dy2 O3 72.9(3) 3_655 .
O3 Dy2 O3 93.3(4) 10_556 .
O3 Dy2 O3 139.86(14) 12_656 .
O3 Dy2 O3 72.9(3) 3_655 5_665
O3 Dy2 O3 139.86(14) 10_556 5_665
O3 Dy2 O3 139.86(14) 12_656 5_665
O3 Dy2 O3 72.9(3) . 5_665
O3 Dy2 O3 139.86(14) 3_655 8_666
O3 Dy2 O3 72.9(3) 10_556 8_666
O3 Dy2 O3 72.9(3) 12_656 8_666
O3 Dy2 O3 139.86(14) . 8_666
O3 Dy2 O3 93.3(4) 5_665 8_666
O3 Dy2 O5 69.7(2) 3_655 .
O3 Dy2 O5 70.2(2) 10_556 .
O3 Dy2 O5 69.7(2) 12_656 .
O3 Dy2 O5 70.2(2) . .
O3 Dy2 O5 133.34(18) 5_665 .
O3 Dy2 O5 133.34(18) 8_666 .
O3 Dy2 O5 70.2(2) 3_655 3_655
O3 Dy2 O5 133.34(18) 10_556 3_655
O3 Dy2 O5 70.2(2) 12_656 3_655
O3 Dy2 O5 133.34(18) . 3_655
O3 Dy2 O5 69.7(2) 5_665 3_655
O3 Dy2 O5 69.7(2) 8_666 3_655
O5 Dy2 O5 120.000(1) . 3_655
O3 Dy2 O5 133.34(18) 3_655 8_666
O3 Dy2 O5 69.7(2) 10_556 8_666
O3 Dy2 O5 133.34(18) 12_656 8_666
O3 Dy2 O5 69.7(2) . 8_666
O3 Dy2 O5 70.2(2) 5_665 8_666
O3 Dy2 O5 70.2(2) 8_666 8_666
O5 Dy2 O5 120.000(1) . 8_666
O5 Dy2 O5 120.000(1) 3_655 8_666
O3 Dy2 Dy1 106.07(19) 3_655 10_556
O3 Dy2 Dy1 40.60(19) 10_556 10_556
O3 Dy2 Dy1 40.73(19) 12_656 10_556
O3 Dy2 Dy1 105.98(18) . 10_556
O3 Dy2 Dy1 178.68(18) 5_665 10_556
O3 Dy2 Dy1 88.00(18) 8_666 10_556
O5 Dy2 Dy1 45.344(11) . 10_556
O5 Dy2 Dy1 110.90(16) 3_655 10_556
O5 Dy2 Dy1 110.25(16) 8_666 10_556
O3 Dy2 Dy1 40.60(19) 3_655 3_655
O3 Dy2 Dy1 178.68(19) 10_556 3_655
O3 Dy2 Dy1 105.98(18) 12_656 3_655
O3 Dy2 Dy1 88.00(19) . 3_655
O3 Dy2 Dy1 40.73(19) 5_665 3_655
O3 Dy2 Dy1 106.07(19) 8_666 3_655
O5 Dy2 Dy1 110.25(16) . 3_655
O5 Dy2 Dy1 45.344(11) 3_655 3_655
O5 Dy2 Dy1 110.90(16) 8_666 3_655
Dy1 Dy2 Dy1 138.849(8) 10_556 3_655
O3 Dy2 Dy1 105.98(18) 3_655 12_656
O3 Dy2 Dy1 88.00(18) 10_556 12_656
O3 Dy2 Dy1 40.60(19) 12_656 12_656
O3 Dy2 Dy1 178.68(19) . 12_656
O3 Dy2 Dy1 106.07(19) 5_665 12_656
O3 Dy2 Dy1 40.73(19) 8_666 12_656
O5 Dy2 Dy1 110.25(16) . 12_656
O5 Dy2 Dy1 45.344(11) 3_655 12_656
O5 Dy2 Dy1 110.90(16) 8_666 12_656
Dy1 Dy2 Dy1 74.993(17) 10_556 12_656
Dy1 Dy2 Dy1 90.68(2) 3_655 12_656
O2 Dy1 O1 138.1(3) . .
O2 Dy1 O6 80.4(4) . .
O1 Dy1 O6 86.9(4) . .
O2 Dy1 O3 134.8(3) . .
O1 Dy1 O3 78.8(3) . .
O6 Dy1 O3 76.5(3) . .
O2 Dy1 O4 88.6(3) . .
O1 Dy1 O4 90.9(3) . .
O6 Dy1 O4 160.8(3) . .
O3 Dy1 O4 121.8(3) . .
O2 Dy1 O3 79.6(3) . 3_655
O1 Dy1 O3 141.7(3) . 3_655
O6 Dy1 O3 110.9(4) . 3_655
O3 Dy1 O3 73.3(4) . 3_655
O4 Dy1 O3 82.2(3) . 3_655
O2 Dy1 N1 72.3(4) . .
O1 Dy1 N1 66.6(3) . .
O6 Dy1 N1 82.7(4) . .
O3 Dy1 N1 140.3(3) . .
O4 Dy1 N1 78.9(3) . .
O3 Dy1 N1 146.3(3) 3_655 .
O2 Dy1 O5 131.7(3) . .
O1 Dy1 O5 77.1(3) . .
O6 Dy1 O5 144.5(3) . .
O3 Dy1 O5 69.5(3) . .
O4 Dy1 O5 52.5(3) . .
O3 Dy1 O5 68.9(3) 3_655 .
N1 Dy1 O5 117.9(4) . .
C14 O5 Dy2 136.7(10) . .
C14 O5 Dy1 90.0(2) . .
Dy2 O5 Dy1 90.5(2) . .
C14 O5 Dy1 90.0(2) . 10_556
Dy2 O5 Dy1 90.5(2) . 10_556
Dy1 O5 Dy1 178.6(5) . 10_556
Dy1 O3 Dy1 135.0(3) . 5_665
Dy1 O3 Dy2 98.5(3) . .
Dy1 O3 Dy2 98.4(3) 5_665 .
Dy1 O3 H3 108(8) . .
Dy1 O3 H3 109(8) 5_665 .
Dy2 O3 H3 103(8) . .
C13 O2 Dy1 137.6(8) . .
C7 N1 C6 117.5(12) . .
C7 N1 Dy1 126.9(9) . .
C6 N1 Dy1 115.0(9) . .
C1 O1 Dy1 120.9(9) . .
C14 O4 Dy1 99.7(8) . .
C15 O6 Dy1 132.9(10) . .
C15 O6 H6 96(10) . .
Dy1 O6 H6 131(10) . .
O4 C14 O4 124.3(15) 10_556 .
O4 C14 O5 117.9(8) 10_556 .
O4 C14 O5 117.9(8) . .
O4 C14 Dy1 54.6(5) 10_556 10_556
O4 C14 Dy1 178.4(11) . 10_556
O5 C14 Dy1 63.3(3) . 10_556
C9 C8 C13 118.1(15) . .
C9 C8 C7 117.2(14) . .
C13 C8 C7 124.6(12) . .
N1 C6 C1 109.3(12) . .
N1 C6 C5 109.0(13) . .
C1 C6 C5 109.8(13) . .
N1 C6 H6A 109.5 . .
C1 C6 H6A 109.5 . .
C5 C6 H6A 109.5 . .
N1 C7 C8 129.0(12) . .
N1 C7 H7 115.5 . .
C8 C7 H7 115.5 . .
C10 C9 C8 122.0(16) . .
C10 C9 H9 119.0 . .
C8 C9 H9 119.0 . .
C3 C2 C1 110.0(16) . .
C3 C2 H2A 109.7 . .
C1 C2 H2A 109.7 . .
C3 C2 H2B 109.7 . .
C1 C2 H2B 109.7 . .
H2A C2 H2B 108.2 . .
O2 C13 C12 122.0(13) . .
O2 C13 C8 120.7(12) . .
C12 C13 C8 117.3(13) . .
C11 C10 C9 118.7(14) . .
C11 C10 H10 120.6 . .
C9 C10 H10 120.6 . .
C11 C12 C13 122.3(16) . .
C11 C12 H12 118.9 . .
C13 C12 H12 118.9 . .
O1 C1 C6 107.8(13) . .
O1 C1 C2 113.1(14) . .
C6 C1 C2 111.1(14) . .
O1 C1 H1 108.2 . .
C6 C1 H1 108.2 . .
C2 C1 H1 108.2 . .
C2 C3 C4 112.1(16) . .
C2 C3 H3A 109.2 . .
C4 C3 H3A 109.2 . .
C2 C3 H3B 109.2 . .
C4 C3 H3B 109.2 . .
H3A C3 H3B 107.9 . .
C10 C11 C12 121.6(17) . .
C10 C11 H11 119.2 . .
C12 C11 H11 119.2 . .
C4 C5 C6 115.2(17) . .
C4 C5 H5A 108.5 . .
C6 C5 H5A 108.5 . .
C4 C5 H5B 108.5 . .
C6 C5 H5B 108.5 . .
H5A C5 H5B 107.5 . .
C5 C4 C3 108.6(14) . .
C5 C4 H4A 110.0 . .
C3 C4 H4A 110.0 . .
C5 C4 H4B 110.0 . .
C3 C4 H4B 110.0 . .
H4A C4 H4B 108.4 . .
C16 O7 H7A 109.5 . .
O6 C15 H15A 109.5 . .
O6 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
O6 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
O7 C16 H16A 109.5 . .
O7 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
O7 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
O8 C17 H17A 109.5 . .
O8 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
O8 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C17 O8 H8 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy2 O3 2.405(7) 3_655
Dy2 O3 2.405(7) 10_556
Dy2 O3 2.405(7) 12_656
Dy2 O3 2.405(7) .
Dy2 O3 2.405(7) 5_665
Dy2 O3 2.405(7) 8_666
Dy2 O5 2.533(11) .
Dy2 O5 2.533(11) 3_655
Dy2 O5 2.533(11) 8_666
Dy1 O2 2.299(9) .
Dy1 O1 2.338(9) .
Dy1 O6 2.391(11) .
Dy1 O3 2.392(8) .
Dy1 O4 2.392(9) .
Dy1 O3 2.397(8) 3_655
Dy1 N1 2.543(11) .
Dy1 O5 2.5853(6) .
O5 C14 1.301(19) .
O5 Dy1 2.5853(6) 10_556
O3 Dy1 2.397(8) 5_665
O3 H3 0.91(2) .
O2 C13 1.325(16) .
N1 C7 1.281(17) .
N1 C6 1.460(18) .
O1 C1 1.419(18) .
O4 C14 1.276(11) .
O6 C15 1.453(18) .
O6 H6 0.92(2) .
C14 O4 1.276(11) 10_556
C14 Dy1 2.894(7) 10_556
C8 C9 1.411(19) .
C8 C13 1.429(19) .
C8 C7 1.43(2) .
C6 C1 1.53(2) .
C6 C5 1.54(2) .
C6 H6A 1.0000 .
C7 H7 0.9500 .
C9 C10 1.38(2) .
C9 H9 0.9500 .
C2 C3 1.49(2) .
C2 C1 1.56(2) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C13 C12 1.39(2) .
C10 C11 1.36(3) .
C10 H10 0.9500 .
C12 C11 1.36(2) .
C12 H12 0.9500 .
C1 H1 1.0000 .
C3 C4 1.54(3) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C11 H11 0.9500 .
C5 C4 1.52(2) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
O7 C16 1.44(3) .
O7 H7A 0.8400 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 O8 1.26(5) .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
O8 H8 0.8400 .
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O3 Dy2 O5 C14 -50.9(2) 3_655 .
O3 Dy2 O5 C14 129.4(2) 10_556 .
O3 Dy2 O5 C14 50.9(2) 12_656 .
O3 Dy2 O5 C14 -129.4(2) . .
O3 Dy2 O5 C14 -89.6(3) 5_665 .
O3 Dy2 O5 C14 89.6(3) 8_666 .
O5 Dy2 O5 C14 0.0 3_655 .
O5 Dy2 O5 C14 180.0 8_666 .
Dy1 Dy2 O5 C14 90.5(2) 10_556 .
Dy1 Dy2 O5 C14 -49.30(7) 3_655 .
Dy1 Dy2 O5 C14 49.30(7) 12_656 .
O3 Dy2 O5 Dy1 39.6(3) 3_655 .
O3 Dy2 O5 Dy1 -140.1(4) 10_556 .
O3 Dy2 O5 Dy1 141.4(4) 12_656 .
O3 Dy2 O5 Dy1 -38.9(3) . .
O3 Dy2 O5 Dy1 0.9(5) 5_665 .
O3 Dy2 O5 Dy1 -179.9(3) 8_666 .
O5 Dy2 O5 Dy1 90.5(2) 3_655 .
O5 Dy2 O5 Dy1 -89.5(2) 8_666 .
Dy1 Dy2 O5 Dy1 -179.0(5) 10_556 .
Dy1 Dy2 O5 Dy1 41.2(3) 3_655 .
Dy1 Dy2 O5 Dy1 139.80(17) 12_656 .
O3 Dy2 O5 Dy1 -141.4(4) 3_655 10_556
O3 Dy2 O5 Dy1 38.9(3) 10_556 10_556
O3 Dy2 O5 Dy1 -39.6(3) 12_656 10_556
O3 Dy2 O5 Dy1 140.1(4) . 10_556
O3 Dy2 O5 Dy1 179.9(3) 5_665 10_556
O3 Dy2 O5 Dy1 -0.9(5) 8_666 10_556
O5 Dy2 O5 Dy1 -90.5(2) 3_655 10_556
O5 Dy2 O5 Dy1 89.5(2) 8_666 10_556
Dy1 Dy2 O5 Dy1 -139.80(17) 3_655 10_556
Dy1 Dy2 O5 Dy1 -41.2(3) 12_656 10_556
O2 Dy1 O5 C14 43.7(10) . .
O1 Dy1 O5 C14 -101.3(9) . .
O6 Dy1 O5 C14 -166.6(9) . .
O3 Dy1 O5 C14 176.0(9) . .
O4 Dy1 O5 C14 0.1(8) . .
O3 Dy1 O5 C14 96.6(9) 3_655 .
N1 Dy1 O5 C14 -46.9(10) . .
O2 Dy1 O5 Dy2 -93.0(4) . .
O1 Dy1 O5 Dy2 122.0(4) . .
O6 Dy1 O5 Dy2 56.7(8) . .
O3 Dy1 O5 Dy2 39.3(3) . .
O4 Dy1 O5 Dy2 -136.6(5) . .
O3 Dy1 O5 Dy2 -40.0(3) 3_655 .
N1 Dy1 O5 Dy2 176.4(3) . .
O2 Dy1 O5 Dy1 134(20) . 10_556
O2 Dy1 O3 Dy1 -24.5(7) . 5_665
O1 Dy1 O3 Dy1 126.3(5) . 5_665
O6 Dy1 O3 Dy1 36.8(5) . 5_665
O4 Dy1 O3 Dy1 -149.7(4) . 5_665
O3 Dy1 O3 Dy1 -80.3(5) 3_655 5_665
N1 Dy1 O3 Dy1 97.1(6) . 5_665
O5 Dy1 O3 Dy1 -153.5(6) . 5_665
O2 Dy1 O3 Dy2 86.5(4) . .
O1 Dy1 O3 Dy2 -122.7(3) . .
O6 Dy1 O3 Dy2 147.8(4) . .
O4 Dy1 O3 Dy2 -38.7(4) . .
O3 Dy1 O3 Dy2 30.7(3) 3_655 .
N1 Dy1 O3 Dy2 -151.9(4) . .
O5 Dy1 O3 Dy2 -42.5(3) . .
O3 Dy2 O3 Dy1 -30.7(3) 3_655 .
O3 Dy2 O3 Dy1 110.9(2) 10_556 .
O3 Dy2 O3 Dy1 43.65(19) 12_656 .
O3 Dy2 O3 Dy1 -107.57(17) 5_665 .
O3 Dy2 O3 Dy1 178.1(3) 8_666 .
O5 Dy2 O3 Dy1 43.3(3) . .
O5 Dy2 O3 Dy1 -69.7(5) 3_655 .
O5 Dy2 O3 Dy1 177.8(3) 8_666 .
Dy1 Dy2 O3 Dy1 71.6(2) 10_556 .
Dy1 Dy2 O3 Dy1 -69.1(2) 3_655 .
O3 Dy2 O3 Dy1 107.49(16) 3_655 5_665
O3 Dy2 O3 Dy1 -111.0(2) 10_556 5_665
O3 Dy2 O3 Dy1 -178.2(3) 12_656 5_665
O3 Dy2 O3 Dy1 30.6(3) 5_665 5_665
O3 Dy2 O3 Dy1 -43.74(18) 8_666 5_665
O5 Dy2 O3 Dy1 -178.5(3) . 5_665
O5 Dy2 O3 Dy1 68.5(5) 3_655 5_665
O5 Dy2 O3 Dy1 -44.1(3) 8_666 5_665
Dy1 Dy2 O3 Dy1 -150.20(17) 10_556 5_665
Dy1 Dy2 O3 Dy1 69.1(2) 3_655 5_665
O1 Dy1 O2 C13 45.4(14) . .
O6 Dy1 O2 C13 119.7(13) . .
O3 Dy1 O2 C13 179.6(11) . .
O4 Dy1 O2 C13 -44.4(12) . .
O3 Dy1 O2 C13 -126.8(13) 3_655 .
N1 Dy1 O2 C13 34.4(12) . .
O5 Dy1 O2 C13 -77.5(13) . .
O2 Dy1 N1 C7 -22.8(12) . .
O1 Dy1 N1 C7 165.2(13) . .
O6 Dy1 N1 C7 -105.0(12) . .
O3 Dy1 N1 C7 -163.4(10) . .
O4 Dy1 N1 C7 69.3(12) . .
O3 Dy1 N1 C7 12.1(16) 3_655 .
O5 Dy1 N1 C7 105.6(12) . .
O2 Dy1 N1 C6 166.3(11) . .
O1 Dy1 N1 C6 -5.7(9) . .
O6 Dy1 N1 C6 84.1(10) . .
O3 Dy1 N1 C6 25.7(12) . .
O4 Dy1 N1 C6 -101.6(10) . .
O3 Dy1 N1 C6 -158.8(8) 3_655 .
O5 Dy1 N1 C6 -65.3(10) . .
O2 Dy1 O1 C1 -35.1(12) . .
O6 Dy1 O1 C1 -107.1(11) . .
O3 Dy1 O1 C1 176.1(11) . .
O4 Dy1 O1 C1 53.8(11) . .
O3 Dy1 O1 C1 132.4(10) 3_655 .
N1 Dy1 O1 C1 -23.7(10) . .
O5 Dy1 O1 C1 104.8(11) . .
O2 Dy1 O4 C14 -149.1(9) . .
O1 Dy1 O4 C14 72.7(9) . .
O6 Dy1 O4 C14 155.9(12) . .
O3 Dy1 O4 C14 -4.6(10) . .
O3 Dy1 O4 C14 -69.4(9) 3_655 .
N1 Dy1 O4 C14 138.7(9) . .
O5 Dy1 O4 C14 -0.1(9) . .
O2 Dy1 O6 C15 -25.9(16) . .
O1 Dy1 O6 C15 114.0(16) . .
O3 Dy1 O6 C15 -166.8(17) . .
O4 Dy1 O6 C15 30(2) . .
O3 Dy1 O6 C15 -100.9(16) 3_655 .
N1 Dy1 O6 C15 47.2(16) . .
O5 Dy1 O6 C15 176.5(14) . .
Dy1 O4 C14 O4 -178.7(13) . 10_556
Dy1 O4 C14 O5 0.2(15) . .
Dy2 O5 C14 O4 -90.5(13) . 10_556
Dy1 O5 C14 O4 178.8(13) . 10_556
Dy1 O5 C14 O4 0.2(14) 10_556 10_556
Dy2 O5 C14 O4 90.5(13) . .
Dy1 O5 C14 O4 -0.2(14) . .
Dy1 O5 C14 O4 -178.8(13) 10_556 .
Dy2 O5 C14 Dy1 -90.7(2) . 10_556
Dy1 O5 C14 Dy1 178.6(5) . 10_556
C7 N1 C6 C1 -141.8(14) . .
Dy1 N1 C6 C1 30.0(15) . .
C7 N1 C6 C5 98.1(15) . .
Dy1 N1 C6 C5 -90.1(13) . .
C6 N1 C7 C8 -176.7(14) . .
Dy1 N1 C7 C8 13(2) . .
C9 C8 C7 N1 -175.4(14) . .
C13 C8 C7 N1 6(2) . .
C13 C8 C9 C10 0(2) . .
C7 C8 C9 C10 -178.5(13) . .
Dy1 O2 C13 C12 149.9(11) . .
Dy1 O2 C13 C8 -30.8(19) . .
C9 C8 C13 O2 -178.7(12) . .
C7 C8 C13 O2 0(2) . .
C9 C8 C13 C12 0.6(19) . .
C7 C8 C13 C12 179.5(13) . .
C8 C9 C10 C11 -1(2) . .
O2 C13 C12 C11 177.7(13) . .
C8 C13 C12 C11 -2(2) . .
Dy1 O1 C1 C6 47.6(15) . .
Dy1 O1 C1 C2 170.8(11) . .
N1 C6 C1 O1 -47.6(17) . .
C5 C6 C1 O1 72.0(16) . .
N1 C6 C1 C2 -172.1(13) . .
C5 C6 C1 C2 -52.5(18) . .
C3 C2 C1 O1 -63.7(19) . .
C3 C2 C1 C6 57.7(19) . .
C1 C2 C3 C4 -60(2) . .
C9 C10 C11 C12 0(2) . .
C13 C12 C11 C10 2(2) . .
N1 C6 C5 C4 172.3(14) . .
C1 C6 C5 C4 52.5(19) . .
C6 C5 C4 C3 -53(2) . .
C2 C3 C4 C5 57(2) . .
