#------------------------------------------------------------------------------
#$Date: 2019-11-17 10:49:21 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229431 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/71/7047139.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_7047139
loop_
_publ_author_name
'Fang, Yu'
'Ji, Xiao-Qin'
'Xiong, Jin'
'Li, Guanzheng'
'Ma, Fang'
'Sun, Hao-Ling'
'Zhang, Yi-Quan'
'Gao, Song'
_publ_section_title
;
 Elucidation of the two-step relaxation processes of a tetranuclear
 dysprosium molecular nanomagnet through magnetic dilution.
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11636
_journal_page_last               11644
_journal_paper_doi               10.1039/c8dt01870g
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         '0.25(C48 H56 Dy4 N8 O24)'
_chemical_formula_sum            'C12 H14 Dy N2 O6'
_chemical_formula_weight         444.75
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2016-12-02
_audit_creation_method
;
Olex2 1.2
(compiled 2016.11.07 svn.r3352 for OlexSys, GUI svn.r5261)
;
_audit_update_record
;
2018-05-09 deposited with the CCDC.
2018-07-24 downloaded from the CCDC.
;
_cell_angle_alpha                110.888(7)
_cell_angle_beta                 104.818(7)
_cell_angle_gamma                105.446(6)
_cell_formula_units_Z            4
_cell_length_a                   10.614(5)
_cell_length_b                   11.860(5)
_cell_length_c                   13.236(6)
_cell_measurement_reflns_used    3133
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      2.29
_cell_volume                     1382.0(11)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_av_unetI/netI     0.0660
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9344
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.569
_diffrn_reflns_theta_min         1.788
_exptl_absorpt_coefficient_mu    5.436
_exptl_absorpt_correction_T_max  0.6703
_exptl_absorpt_correction_T_min  0.4767
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.138
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             856
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         3.388
_refine_diff_density_min         -1.747
_refine_diff_density_rms         0.251
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         6350
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0640
_refine_ls_R_factor_gt           0.0444
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0523P)²+5.8308P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1063
_refine_ls_wR_factor_ref         0.1168
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4863
_reflns_number_total             6350
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt01870g2.cif
_cod_data_source_block           150328b_0m
_cod_depositor_comments
'Adding full bibliography for 7047139--7047140.cif.'
_cod_database_code               7047139
_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_max   0.612
_shelx_estimated_absorpt_t_min   0.477
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups, All O(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Me refined with riding coordinates:
 C19(H19A,H19B,H19C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C17(H17A,H17B,
 H17C)
2.b Aromatic/amide H refined with riding coordinates:
 O12(H12), N3(H3), N2(H2), C9(H9), C14(H14), C2(H2A), C7(H7), C3(H3A), C4(H4),
 C5(H5), C12(H12A), C11(H11), C13(H13)
2.c Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.37772(4) 0.15868(3) 1.03698(3) 0.01248(10) Uani 1 1 d . . .
Dy2 Dy 0.57541(4) 0.16450(3) 0.81852(3) 0.01489(11) Uani 1 1 d . . .
O2 O 0.5602(5) 0.2888(5) 1.0004(4) 0.0131(10) Uani 1 1 d . . .
O6 O 0.4106(5) 0.0303(5) 0.8687(4) 0.0151(11) Uani 1 1 d . . .
O4 O 0.3620(6) 0.0541(5) 0.6407(5) 0.0221(12) Uani 1 1 d . . .
O7 O 0.5848(6) 0.1675(5) 1.1584(5) 0.0163(11) Uani 1 1 d . . .
C18 C 0.3554(8) -0.0986(7) 0.8145(7) 0.0166(16) Uani 1 1 d . . .
O1 O 0.6622(5) 0.2123(5) 0.7001(5) 0.0171(11) Uani 1 1 d . . .
O8 O 0.1418(6) 0.0597(6) 0.8791(6) 0.0267(13) Uani 1 1 d . . .
O11 O 0.8064(6) 0.2094(6) 0.9378(5) 0.0277(14) Uani 1 1 d . . .
O5 O 0.3972(6) 0.2525(5) 0.7642(5) 0.0180(11) Uani 1 1 d . . .
O3 O 0.3118(6) 0.1927(5) 1.1853(5) 0.0198(12) Uani 1 1 d . . .
O9 O 0.2534(6) 0.2696(5) 0.9523(5) 0.0196(12) Uani 1 1 d . . .
N4 N 0.4909(6) 0.4071(6) 1.1725(5) 0.0131(12) Uani 1 1 d . . .
O12 O 0.5916(6) -0.0400(5) 0.7188(5) 0.0236(13) Uani 1 1 d . A -1
H12 H 0.6238 -0.0810 0.7640 0.028 Uiso 1 1 calc R A -1
O10 O 0.2884(6) -0.0506(5) 1.0234(5) 0.0238(13) Uani 1 1 d . . .
N3 N 0.5805(7) 0.4806(6) 1.1397(6) 0.0165(13) Uani 1 1 d . . .
H3 H 0.6169 0.5671 1.1762 0.020 Uiso 1 1 calc R . .
C21 C 0.0280(9) 0.1706(9) 0.7927(8) 0.0275(19) Uani 1 1 d . . .
H21A H -0.0161 0.0884 0.7194 0.041 Uiso 1 1 calc GR . .
H21B H 0.0642 0.2446 0.7765 0.041 Uiso 1 1 calc GR . .
H21C H -0.0427 0.1817 0.8263 0.041 Uiso 1 1 calc GR . .
N1 N 0.7177(6) 0.4081(6) 0.9164(5) 0.0125(12) Uani 1 1 d . . .
N2 N 0.6939(7) 0.4811(6) 1.0122(5) 0.0150(13) Uani 1 1 d . . .
H2 H 0.7322 0.5676 1.0474 0.018 Uiso 1 1 calc R . .
C22 C 0.8196(8) 0.1393(8) 0.9872(8) 0.0213(17) Uani 1 1 d . . .
C20 C 0.1462(9) 0.1662(8) 0.8767(7) 0.0193(17) Uani 1 1 d . . .
C9 C 0.4626(8) 0.4741(8) 1.2590(7) 0.0187(16) Uani 1 1 d . . .
H9 H 0.5069 0.5671 1.2922 0.022 Uiso 1 1 calc R . .
C8 C 0.6097(7) 0.4131(7) 1.0483(6) 0.0133(15) Uani 1 1 d . . .
C19 C 0.2159(8) -0.1649(8) 0.7133(7) 0.0213(17) Uani 1 1 d . . .
H19A H 0.1828 -0.0985 0.7030 0.032 Uiso 1 1 calc R . .
H19B H 0.2264 -0.2166 0.6418 0.032 Uiso 1 1 calc R . .
H19C H 0.1466 -0.2231 0.7284 0.032 Uiso 1 1 calc R . .
C6 C 0.8662(8) 0.4180(8) 0.8046(7) 0.0173(16) Uani 1 1 d . . .
C15 C 0.2995(8) 0.2874(7) 1.2713(7) 0.0146(15) Uani 1 1 d . . .
C1 C 0.7804(8) 0.2921(8) 0.7059(7) 0.0165(15) Uani 1 1 d . . .
C16 C 0.3243(8) 0.1491(8) 0.6657(7) 0.0185(16) Uani 1 1 d . . .
C14 C 0.2101(9) 0.2506(8) 1.3272(8) 0.0229(18) Uani 1 1 d . . .
H14 H 0.1599 0.1600 1.3030 0.027 Uiso 1 1 calc R . .
C2 C 0.8251(8) 0.2538(8) 0.6108(7) 0.0172(16) Uani 1 1 d . . .
H2A H 0.7690 0.1717 0.5431 0.021 Uiso 1 1 calc R . .
C7 C 0.8259(8) 0.4710(8) 0.9013(7) 0.0191(17) Uani 1 1 d . . .
H7 H 0.8832 0.5593 0.9589 0.023 Uiso 1 1 calc R . .
C3 C 0.9493(9) 0.3352(9) 0.6165(7) 0.0233(18) Uani 1 1 d . . .
H3A H 0.9776 0.3078 0.5523 0.028 Uiso 1 1 calc R . .
C10 C 0.3721(8) 0.4231(8) 1.3095(7) 0.0170(16) Uani 1 1 d . . .
C4 C 1.0344(9) 0.4564(9) 0.7137(8) 0.0248(18) Uani 1 1 d . . .
H4 H 1.1202 0.5111 0.7165 0.030 Uiso 1 1 calc R . .
C5 C 0.9917(8) 0.4958(8) 0.8062(7) 0.0205(17) Uani 1 1 d . . .
H5 H 1.0496 0.5785 0.8729 0.025 Uiso 1 1 calc R . .
C23 C 0.9672(10) 0.1671(10) 1.0669(9) 0.036(2) Uani 1 1 d . . .
H23A H 0.9610 0.1044 1.0994 0.054 Uiso 1 1 calc R . .
H23B H 1.0270 0.1581 1.0215 0.054 Uiso 1 1 calc R . .
H23C H 1.0088 0.2567 1.1310 0.054 Uiso 1 1 calc R . .
C12 C 0.2667(9) 0.4776(9) 1.4530(8) 0.0246(19) Uani 1 1 d . . .
H12A H 0.2556 0.5417 1.5141 0.030 Uiso 1 1 calc R . .
C11 C 0.3525(9) 0.5150(8) 1.4009(7) 0.0229(18) Uani 1 1 d . . .
H11 H 0.4014 0.6061 1.4265 0.027 Uiso 1 1 calc R . .
C24 C 0.5559(12) -0.1035(11) 0.5965(8) 0.041(3) Uani 1 1 d . . .
H24A H 0.5708 -0.1856 0.5753 0.061 Uiso 1 1 calc R A .
H24B H 0.4561 -0.1231 0.5546 0.061 Uiso 1 1 calc R . .
H24C H 0.6162 -0.0460 0.5747 0.061 Uiso 1 1 calc R . .
C17 C 0.1984(10) 0.1444(11) 0.5786(9) 0.038(2) Uani 1 1 d . . .
H17A H 0.1842 0.2259 0.6122 0.057 Uiso 1 1 calc R . .
H17B H 0.2149 0.1347 0.5070 0.057 Uiso 1 1 calc R . .
H17C H 0.1137 0.0694 0.5596 0.057 Uiso 1 1 calc R . .
C13 C 0.1943(10) 0.3437(9) 1.4162(8) 0.028(2) Uani 1 1 d . . .
H13 H 0.1340 0.3167 1.4526 0.034 Uiso 1 1 calc R . .
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
O2 Dy1 Dy2 33.94(12) . .
O2 Dy1 O8 113.37(19) . .
O2 Dy1 O9 79.02(18) . .
O2 Dy1 N4 63.31(18) . .
O2 Dy1 C20 95.9(2) . .
O6 Dy1 Dy2 34.30(13) . .
O6 Dy1 O2 67.89(17) . .
O6 Dy1 O8 76.58(19) . .
O6 Dy1 O9 98.32(19) . .
O6 Dy1 N4 131.07(19) . .
O6 Dy1 C20 86.3(2) . .
O7 Dy1 Dy2 85.64(14) . .
O7 Dy1 O2 76.61(18) . .
O7 Dy1 O6 90.27(18) . .
O7 Dy1 O8 157.93(19) . .
O7 Dy1 O9 148.81(18) . .
O7 Dy1 N4 82.11(19) . .
O7 Dy1 O10 81.8(2) . .
O7 Dy1 C20 172.4(2) . .
O8 Dy1 Dy2 92.81(16) . .
O8 Dy1 N4 119.89(19) . .
O8 Dy1 C20 26.2(2) . .
O3 Dy1 Dy2 167.46(15) . .
O3 Dy1 O2 134.21(19) . .
O3 Dy1 O6 155.44(19) . .
O3 Dy1 O7 86.4(2) . .
O3 Dy1 O8 98.2(2) . .
O3 Dy1 O9 97.1(2) . .
O3 Dy1 N4 72.5(2) . .
O3 Dy1 O10 76.9(2) . .
O3 Dy1 C20 99.5(2) . .
O9 Dy1 Dy2 84.91(14) . .
O9 Dy1 O8 52.36(19) . .
O9 Dy1 N4 69.62(19) . .
O9 Dy1 C20 26.2(2) . .
N4 Dy1 Dy2 96.79(14) . .
N4 Dy1 C20 95.1(2) . .
O10 Dy1 Dy2 111.40(14) . .
O10 Dy1 O2 139.55(18) . .
O10 Dy1 O6 78.52(19) . .
O10 Dy1 O8 78.2(2) . .
O10 Dy1 O9 129.2(2) . .
O10 Dy1 N4 146.2(2) . .
O10 Dy1 C20 104.0(2) . .
C20 Dy1 Dy2 87.74(16) . .
O2 Dy2 Dy1 33.93(12) . .
O2 Dy2 O6 67.08(17) . .
O2 Dy2 O4 117.99(18) . .
O2 Dy2 O5 75.17(17) . .
O2 Dy2 N1 64.24(18) . .
O2 Dy2 C16 97.6(2) . .
O6 Dy2 Dy1 33.49(12) . .
O6 Dy2 O5 88.09(18) . .
O6 Dy2 N1 131.20(18) . .
O6 Dy2 C16 83.0(2) . .
O4 Dy2 Dy1 96.10(14) . .
O4 Dy2 O6 78.04(18) . .
O4 Dy2 O5 53.39(18) . .
O4 Dy2 N1 122.76(19) . .
O4 Dy2 C16 26.4(2) . .
O1 Dy2 Dy1 163.48(14) . .
O1 Dy2 O2 135.34(18) . .
O1 Dy2 O6 154.98(18) . .
O1 Dy2 O4 80.0(2) . .
O1 Dy2 O11 88.0(2) . .
O1 Dy2 O5 88.45(19) . .
O1 Dy2 O12 82.1(2) . .
O1 Dy2 N1 71.7(2) . .
O1 Dy2 C16 82.7(2) . .
O11 Dy2 Dy1 100.75(16) . .
O11 Dy2 O2 84.72(19) . .
O11 Dy2 O6 107.8(2) . .
O11 Dy2 O4 156.4(2) . .
O11 Dy2 O5 147.2(2) . .
O11 Dy2 O12 79.9(2) . .
O11 Dy2 N1 71.3(2) . .
O11 Dy2 C16 169.0(2) . .
O5 Dy2 Dy1 76.56(13) . .
O5 Dy2 N1 76.70(19) . .
O5 Dy2 C16 27.0(2) . .
O12 Dy2 Dy1 113.00(14) . .
O12 Dy2 O2 138.95(18) . .
O12 Dy2 O6 81.75(19) . .
O12 Dy2 O4 78.28(19) . .
O12 Dy2 O5 131.66(19) . .
O12 Dy2 N1 141.2(2) . .
O12 Dy2 C16 104.7(2) . .
N1 Dy2 Dy1 97.73(14) . .
N1 Dy2 C16 99.9(2) . .
C16 Dy2 Dy1 86.79(16) . .
Dy1 O2 Dy2 112.13(19) . .
C8 O2 Dy1 123.1(5) . .
C8 O2 Dy2 121.2(5) . .
Dy1 O6 Dy2 112.2(2) . .
C18 O6 Dy1 124.2(5) . .
C18 O6 Dy2 123.4(5) . .
C16 O4 Dy2 94.6(5) . .
C18 O7 Dy1 143.7(5) 2_657 .
O6 C18 C19 117.5(7) . .
O7 C18 O6 123.5(7) 2_657 .
O7 C18 C19 119.0(7) 2_657 .
C1 O1 Dy2 138.5(5) . .
C20 O8 Dy1 94.7(5) . .
C22 O11 Dy2 117.2(5) . .
C16 O5 Dy2 92.1(4) . .
C15 O3 Dy1 141.9(5) . .
C20 O9 Dy1 95.5(5) . .
N3 N4 Dy1 115.2(4) . .
C9 N4 Dy1 128.9(5) . .
C9 N4 N3 115.3(6) . .
Dy2 O12 H12 118.1 . .
C24 O12 Dy2 123.8(5) . .
C24 O12 H12 118.1 . .
C22 O10 Dy1 145.0(5) 2_657 .
N4 N3 H3 121.7 . .
C8 N3 N4 116.5(6) . .
C8 N3 H3 121.7 . .
H21A C21 H21B 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
N2 N1 Dy2 115.5(4) . .
C7 N1 Dy2 128.0(5) . .
C7 N1 N2 115.5(6) . .
N1 N2 H2 121.8 . .
C8 N2 N1 116.3(6) . .
C8 N2 H2 121.8 . .
O11 C22 O10 120.9(8) . 2_657
O11 C22 C23 118.7(8) . .
O10 C22 C23 120.3(8) 2_657 .
O8 C20 Dy1 59.1(4) . .
O8 C20 O9 117.3(7) . .
O8 C20 C21 121.3(8) . .
O9 C20 Dy1 58.3(4) . .
O9 C20 C21 121.4(8) . .
C21 C20 Dy1 179.0(6) . .
N4 C9 H9 116.5 . .
N4 C9 C10 127.1(8) . .
C10 C9 H9 116.5 . .
O2 C8 N3 120.3(7) . .
O2 C8 N2 121.3(7) . .
N2 C8 N3 118.3(7) . .
C18 C19 H19A 109.5 . .
C18 C19 H19B 109.5 . .
C18 C19 H19C 109.5 . .
H19A C19 H19B 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C1 C6 C7 122.6(7) . .
C5 C6 C1 119.3(7) . .
C5 C6 C7 118.0(7) . .
O3 C15 C14 119.0(7) . .
O3 C15 C10 123.3(7) . .
C10 C15 C14 117.7(7) . .
O1 C1 C6 122.3(7) . .
O1 C1 C2 119.8(7) . .
C2 C1 C6 117.9(7) . .
O4 C16 Dy2 59.0(4) . .
O4 C16 O5 119.8(7) . .
O4 C16 C17 120.3(8) . .
O5 C16 Dy2 60.9(4) . .
O5 C16 C17 119.8(8) . .
C17 C16 Dy2 174.9(6) . .
C15 C14 H14 119.3 . .
C13 C14 C15 121.4(8) . .
C13 C14 H14 119.3 . .
C1 C2 H2A 119.8 . .
C3 C2 C1 120.4(7) . .
C3 C2 H2A 119.8 . .
N1 C7 C6 125.4(7) . .
N1 C7 H7 117.3 . .
C6 C7 H7 117.3 . .
C2 C3 H3A 119.2 . .
C2 C3 C4 121.7(8) . .
C4 C3 H3A 119.2 . .
C15 C10 C9 123.7(7) . .
C15 C10 C11 119.0(7) . .
C11 C10 C9 117.4(8) . .
C3 C4 H4 120.7 . .
C5 C4 C3 118.7(8) . .
C5 C4 H4 120.7 . .
C6 C5 H5 119.0 . .
C4 C5 C6 122.0(7) . .
C4 C5 H5 119.0 . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23B 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C11 C12 H12A 120.3 . .
C11 C12 C13 119.4(8) . .
C13 C12 H12A 120.3 . .
C10 C11 H11 118.9 . .
C12 C11 C10 122.3(8) . .
C12 C11 H11 118.9 . .
O12 C24 H24A 109.5 . .
O12 C24 H24B 109.5 . .
O12 C24 H24C 109.5 . .
H24A C24 H24B 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17B 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C14 C13 C12 120.3(8) . .
C14 C13 H13 119.9 . .
C12 C13 H13 119.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 Dy2 3.9921(14) .
Dy1 O2 2.406(5) .
Dy1 O6 2.379(5) .
Dy1 O7 2.319(5) .
Dy1 O8 2.454(6) .
Dy1 O3 2.190(5) .
Dy1 O9 2.438(5) .
Dy1 N4 2.566(6) .
Dy1 O10 2.331(6) .
Dy1 C20 2.852(8) .
Dy2 O2 2.406(5) .
Dy2 O6 2.430(5) .
Dy2 O4 2.425(5) .
Dy2 O1 2.172(5) .
Dy2 O11 2.348(6) .
Dy2 O5 2.465(5) .
Dy2 O12 2.389(5) .
Dy2 N1 2.512(6) .
Dy2 C16 2.819(8) .
O2 C8 1.266(9) .
O6 C18 1.312(9) .
O4 C16 1.258(9) .
O7 C18 1.252(9) 2_657
C18 O7 1.252(9) 2_657
C18 C19 1.490(11) .
O1 C1 1.320(9) .
O8 C20 1.264(10) .
O11 C22 1.241(10) .
O5 C16 1.281(9) .
O3 C15 1.347(9) .
O9 C20 1.265(10) .
N4 N3 1.375(9) .
N4 C9 1.299(10) .
O12 H12 0.9500 .
O12 C24 1.414(10) .
O10 C22 1.269(10) 2_657
N3 H3 0.8800 .
N3 C8 1.355(10) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C21 C20 1.476(11) .
N1 N2 1.386(8) .
N1 C7 1.297(10) .
N2 H2 0.8800 .
N2 C8 1.337(10) .
C22 O10 1.269(9) 2_657
C22 C23 1.519(12) .
C9 H9 0.9500 .
C9 C10 1.430(11) .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C6 C1 1.429(11) .
C6 C7 1.438(11) .
C6 C5 1.393(11) .
C15 C14 1.417(11) .
C15 C10 1.414(11) .
C1 C2 1.424(11) .
C16 C17 1.498(12) .
C14 H14 0.9500 .
C14 C13 1.381(12) .
C2 H2A 0.9500 .
C2 C3 1.376(11) .
C7 H7 0.9500 .
C3 H3A 0.9500 .
C3 C4 1.391(12) .
C10 C11 1.415(11) .
C4 H4 0.9500 .
C4 C5 1.383(12) .
C5 H5 0.9500 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C12 H12A 0.9500 .
C12 C11 1.351(12) .
C12 C13 1.399(13) .
C11 H11 0.9500 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C13 H13 0.9500 .
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_4
Dy1 O2 C8 N3 12.2(9) .
Dy1 O2 C8 N2 -169.2(5) .
Dy1 O6 C18 O7 -88.6(8) 2_657
Dy1 O6 C18 C19 93.1(7) .
Dy1 O8 C20 O9 -3.9(7) .
Dy1 O8 C20 C21 179.0(7) .
Dy1 O3 C15 C14 161.2(6) .
Dy1 O3 C15 C10 -18.9(12) .
Dy1 O9 C20 O8 3.9(8) .
Dy1 O9 C20 C21 -178.9(7) .
Dy1 N4 N3 C8 -6.7(8) .
Dy1 N4 C9 C10 8.4(12) .
Dy2 O2 C8 N3 169.3(5) .
Dy2 O2 C8 N2 -12.1(9) .
Dy2 O6 C18 O7 85.8(8) 2_657
Dy2 O6 C18 C19 -92.5(7) .
Dy2 O4 C16 O5 -3.1(8) .
Dy2 O4 C16 C17 174.1(7) .
Dy2 O1 C1 C6 -31.4(11) .
Dy2 O1 C1 C2 149.2(6) .
Dy2 O11 C22 O10 -2.5(11) 2_657
Dy2 O11 C22 C23 -178.9(6) .
Dy2 O5 C16 O4 3.1(7) .
Dy2 O5 C16 C17 -174.2(7) .
Dy2 N1 N2 C8 6.5(7) .
Dy2 N1 C7 C6 16.3(11) .
O1 C1 C2 C3 -179.0(7) .
O3 C15 C14 C13 179.7(7) .
O3 C15 C10 C9 1.8(12) .
O3 C15 C10 C11 -179.8(7) .
N4 N3 C8 O2 -2.8(10) .
N4 N3 C8 N2 178.6(6) .
N4 C9 C10 C15 0.7(13) .
N4 C9 C10 C11 -177.7(8) .
N3 N4 C9 C10 179.2(7) .
N1 N2 C8 O2 3.1(10) .
N1 N2 C8 N3 -178.2(6) .
N2 N1 C7 C6 -176.2(7) .
C9 N4 N3 C8 -178.8(7) .
C9 C10 C11 C12 178.4(8) .
C6 C1 C2 C3 1.6(11) .
C15 C14 C13 C12 0.2(13) .
C15 C10 C11 C12 -0.1(12) .
C1 C6 C7 N1 7.2(12) .
C1 C6 C5 C4 1.6(12) .
C1 C2 C3 C4 -0.2(12) .
C14 C15 C10 C9 -178.3(7) .
C14 C15 C10 C11 0.1(11) .
C2 C3 C4 C5 -0.5(13) .
C7 N1 N2 C8 -162.6(7) .
C7 C6 C1 O1 -4.2(12) .
C7 C6 C1 C2 175.2(7) .
C7 C6 C5 C4 -176.0(8) .
C3 C4 C5 C6 -0.2(13) .
C10 C15 C14 C13 -0.2(12) .
C5 C6 C1 O1 178.3(7) .
C5 C6 C1 C2 -2.3(11) .
C5 C6 C7 N1 -175.3(7) .
C11 C12 C13 C14 -0.2(13) .
C13 C12 C11 C10 0.1(13) .
