# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_a
_database_code_depnum_ccdc_archive 'CCDC 2023547'
loop_
_audit_author_name
_audit_author_address
'Ming Kong' 'Nanjing University'
_audit_update_record             
;
2020-08-17 deposited with the CCDC.	2020-12-07 downloaded from the CCDC.
;
_audit_creation_date             2020-07-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C8 H11 Dy N2 O10, C2 H3 N'
_chemical_formula_sum            'C10 H14 Dy N3 O10'
_chemical_formula_weight         498.74
_chemical_melting_point          ?
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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.9910(6)
_cell_length_b                   9.4021(5)
_cell_length_c                   11.1152(7)
_cell_angle_alpha                68.2340(10)
_cell_angle_beta                 83.263(2)
_cell_angle_gamma                67.5390(10)
_cell_volume                     806.10(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6344
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      2.58
_shelx_estimated_absorpt_T_max   0.454
_shelx_estimated_absorpt_T_min   0.333
_exptl_absorpt_coefficient_mu    4.691
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.3828
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1042 before and 0.0446 after correction.
The Ratio of minimum to maximum transmission is 0.5134.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            white
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    2.055
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             482
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_av_unetI/netI     0.0406
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            5643
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        24.996
_diffrn_reflns_theta_max         24.996
_diffrn_reflns_theta_min         2.582
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2744
_reflns_number_total             2804
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_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    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         1.337
_refine_diff_density_min         -1.344
_refine_diff_density_rms         0.140
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.136
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     228
_refine_ls_number_reflns         2804
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0257
_refine_ls_R_factor_gt           0.0251
_refine_ls_restrained_S_all      1.135
_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)+(0.0203P)²+1.6759P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0627
_refine_ls_wR_factor_ref         0.0630
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O10-H10B
 0.82 with sigma of 0.02
 O10-H10A
 0.82 with sigma of 0.02
3.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C6(H6)
3.b Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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
C1 C 1.0885(6) 0.2866(6) 0.2016(5) 0.0352(12) Uani 1 1 d . . . . .
H1 H 1.190661 0.243727 0.239510 0.042 Uiso 1 1 calc R . . . .
C2 C 0.9589(6) 0.3745(6) 0.2576(5) 0.0295(11) Uani 1 1 d . . . . .
H2 H 0.973165 0.390684 0.332358 0.035 Uiso 1 1 calc R . . . .
C3 C 0.8064(5) 0.4385(5) 0.2003(4) 0.0197(9) Uani 1 1 d . . . . .
C4 C 0.7845(5) 0.4128(5) 0.0884(4) 0.0175(9) Uani 1 1 d . . . . .
C5 C 0.9185(5) 0.3234(5) 0.0356(4) 0.0209(9) Uani 1 1 d . . . . .
C6 C 1.0701(6) 0.2606(6) 0.0897(5) 0.0287(11) Uani 1 1 d . . . . .
H6 H 1.158540 0.201903 0.052516 0.034 Uiso 1 1 calc R . . . .
C7 C 0.6739(7) 0.5589(6) 0.3607(4) 0.0319(11) Uani 1 1 d . . . . .
H7A H 0.719717 0.455750 0.430347 0.048 Uiso 1 1 calc GR . . . .
H7B H 0.568341 0.618993 0.383107 0.048 Uiso 1 1 calc GR . . . .
H7C H 0.741110 0.621913 0.346018 0.048 Uiso 1 1 calc GR . . . .
C8 C 1.0102(6) 0.2160(7) -0.1370(6) 0.0369(13) Uani 1 1 d . . . . .
H8A H 1.093620 0.260378 -0.153340 0.055 Uiso 1 1 calc GR . . . .
H8B H 0.972558 0.223898 -0.217398 0.055 Uiso 1 1 calc GR . . . .
H8C H 1.051981 0.102544 -0.081048 0.055 Uiso 1 1 calc GR . . . .
C9 C 0.7935(9) 0.0236(8) 0.3837(6) 0.0460(15) Uani 1 1 d . . . . .
H9A H 0.818229 0.096344 0.304039 0.069 Uiso 1 1 calc GR . . . .
H9B H 0.692352 0.016381 0.373590 0.069 Uiso 1 1 calc GR . . . .
H9C H 0.876725 -0.083782 0.405411 0.069 Uiso 1 1 calc GR . . . .
C10 C 0.7836(7) 0.0858(6) 0.4847(5) 0.0367(12) Uani 1 1 d . . . . .
Dy1 Dy 0.58562(2) 0.37751(2) -0.11182(2) 0.01290(9) Uani 1 1 d . . . . .
N1 N 0.5636(5) 0.0908(4) 0.0981(3) 0.0192(8) Uani 1 1 d . . . . .
N2 N 0.6417(5) 0.6186(5) -0.3403(4) 0.0249(9) Uani 1 1 d . . . . .
N3 N 0.7775(7) 0.1357(7) 0.5647(5) 0.0508(14) Uani 1 1 d . . . . .
O1 O 0.6628(4) 0.5285(4) 0.2439(3) 0.0221(7) Uani 1 1 d . . . . .
O2 O 0.6378(3) 0.4710(3) 0.0349(3) 0.0158(6) Uani 1 1 d . . . . .
O3 O 0.8789(4) 0.3074(4) -0.0756(3) 0.0220(7) Uani 1 1 d . . . . .
O4 O 0.5531(5) -0.0262(4) 0.1919(3) 0.0331(8) Uani 1 1 d . . . . .
O5 O 0.4521(4) 0.1761(4) 0.0106(3) 0.0207(6) Uani 1 1 d . . . . .
O6 O 0.6838(4) 0.1320(4) 0.0837(3) 0.0224(7) Uani 1 1 d . . . . .
O7 O 0.5631(4) 0.6583(4) -0.2474(3) 0.0265(7) Uani 1 1 d . . . . .
O8 O 0.6878(4) 0.4686(4) -0.3271(3) 0.0289(8) Uani 1 1 d . . . . .
O9 O 0.6731(6) 0.7194(5) -0.4364(4) 0.0466(11) Uani 1 1 d . . . . .
O10 O 0.6701(4) 0.1629(4) -0.1950(3) 0.0261(7) Uani 1 1 d D . . . .
H10A H 0.720(5) 0.163(6) -0.261(3) 0.017(12) Uiso 1 1 d D . . . .
H10B H 0.615(8) 0.104(8) -0.177(7) 0.06(2) Uiso 1 1 d D . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
C1 H1 0.9300 . ?
C1 C2 1.380(8) . ?
C1 C6 1.393(8) . ?
C2 H2 0.9300 . ?
C2 C3 1.392(7) . ?
C3 C4 1.401(6) . ?
C3 O1 1.393(6) . ?
C4 C5 1.388(6) . ?
C4 O2 1.336(5) . ?
C5 C6 1.372(7) . ?
C5 O3 1.400(6) . ?
C6 H6 0.9300 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C7 O1 1.450(5) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C8 O3 1.438(5) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C9 C10 1.426(8) . ?
C10 N3 1.137(7) . ?
Dy1 Dy1 3.8071(4) 2_665 ?
Dy1 O1 2.495(3) 2_665 ?
Dy1 O2 2.283(3) . ?
Dy1 O2 2.260(3) 2_665 ?
Dy1 O3 2.504(3) . ?
Dy1 O5 2.514(3) . ?
Dy1 O6 2.450(3) . ?
Dy1 O7 2.448(3) . ?
Dy1 O8 2.422(3) . ?
Dy1 O10 2.356(3) . ?
N1 O4 1.229(5) . ?
N1 O5 1.276(5) . ?
N1 O6 1.256(5) . ?
N2 O7 1.271(5) . ?
N2 O8 1.264(5) . ?
N2 O9 1.225(5) . ?
O10 H10A 0.810(19) . ?
O10 H10B 0.83(2) . ?

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
C2 C1 H1 119.2 . . ?
C2 C1 C6 121.5(5) . . ?
C6 C1 H1 119.2 . . ?
C1 C2 H2 120.5 . . ?
C1 C2 C3 119.0(5) . . ?
C3 C2 H2 120.5 . . ?
C2 C3 C4 120.6(4) . . ?
C2 C3 O1 126.7(4) . . ?
O1 C3 C4 112.7(4) . . ?
C5 C4 C3 118.4(4) . . ?
O2 C4 C3 120.7(4) . . ?
O2 C4 C5 120.9(4) . . ?
C4 C5 O3 112.3(4) . . ?
C6 C5 C4 121.9(4) . . ?
C6 C5 O3 125.8(4) . . ?
C1 C6 H6 120.7 . . ?
C5 C6 C1 118.5(4) . . ?
C5 C6 H6 120.7 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O1 C7 H7A 109.5 . . ?
O1 C7 H7B 109.5 . . ?
O1 C7 H7C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O3 C8 H8A 109.5 . . ?
O3 C8 H8B 109.5 . . ?
O3 C8 H8C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C10 C9 H9A 109.5 . . ?
C10 C9 H9B 109.5 . . ?
C10 C9 H9C 109.5 . . ?
N3 C10 C9 179.1(7) . . ?
O1 Dy1 Dy1 99.01(7) 2_665 2_665 ?
O1 Dy1 O3 155.33(10) 2_665 . ?
O1 Dy1 O5 75.72(10) 2_665 . ?
O2 Dy1 Dy1 32.88(7) . 2_665 ?
O2 Dy1 Dy1 33.26(7) 2_665 2_665 ?
O2 Dy1 O1 66.79(10) 2_665 2_665 ?
O2 Dy1 O1 130.65(10) . 2_665 ?
O2 Dy1 O2 66.13(12) 2_665 . ?
O2 Dy1 O3 65.84(9) . . ?
O2 Dy1 O3 131.86(10) 2_665 . ?
O2 Dy1 O5 76.20(10) 2_665 . ?
O2 Dy1 O5 106.26(10) . . ?
O2 Dy1 O6 75.37(10) . . ?
O2 Dy1 O6 99.98(10) 2_665 . ?
O2 Dy1 O7 78.07(10) . . ?
O2 Dy1 O7 78.35(10) 2_665 . ?
O2 Dy1 O8 116.58(11) . . ?
O2 Dy1 O8 125.32(11) 2_665 . ?
O2 Dy1 O10 139.72(11) 2_665 . ?
O2 Dy1 O10 146.00(12) . . ?
O3 Dy1 Dy1 98.67(7) . 2_665 ?
O3 Dy1 O5 120.81(10) . . ?
O5 Dy1 Dy1 91.50(7) . 2_665 ?
O6 Dy1 Dy1 87.21(7) . 2_665 ?
O6 Dy1 O1 127.10(10) . 2_665 ?
O6 Dy1 O3 70.83(10) . . ?
O6 Dy1 O5 51.53(10) . . ?
O7 Dy1 Dy1 75.89(7) . 2_665 ?
O7 Dy1 O1 78.90(11) . 2_665 ?
O7 Dy1 O3 88.91(11) . . ?
O7 Dy1 O5 149.45(11) . . ?
O7 Dy1 O6 151.46(11) . . ?
O8 Dy1 Dy1 127.70(7) . 2_665 ?
O8 Dy1 O1 80.32(11) . 2_665 ?
O8 Dy1 O3 75.27(11) . . ?
O8 Dy1 O5 136.84(10) . . ?
O8 Dy1 O6 134.52(11) . . ?
O8 Dy1 O7 52.44(10) . . ?
O10 Dy1 Dy1 161.81(8) . 2_665 ?
O10 Dy1 O1 82.54(12) . 2_665 ?
O10 Dy1 O3 85.99(11) . . ?
O10 Dy1 O5 71.20(10) . . ?
O10 Dy1 O6 77.67(11) . . ?
O10 Dy1 O7 121.97(11) . . ?
O10 Dy1 O8 70.49(11) . . ?
O4 N1 O5 121.3(4) . . ?
O4 N1 O6 121.8(4) . . ?
O6 N1 O5 116.9(3) . . ?
O8 N2 O7 116.2(3) . . ?
O9 N2 O7 122.0(4) . . ?
O9 N2 O8 121.8(4) . . ?
C3 O1 C7 116.5(4) . . ?
C3 O1 Dy1 116.6(2) . 2_665 ?
C7 O1 Dy1 126.9(3) . 2_665 ?
C4 O2 Dy1 121.6(2) . . ?
C4 O2 Dy1 123.2(2) . 2_665 ?
Dy1 O2 Dy1 113.87(12) 2_665 . ?
C5 O3 C8 116.2(4) . . ?
C5 O3 Dy1 115.7(2) . . ?
C8 O3 Dy1 126.2(3) . . ?
N1 O5 Dy1 93.9(2) . . ?
N1 O6 Dy1 97.5(2) . . ?
N2 O7 Dy1 94.9(2) . . ?
N2 O8 Dy1 96.4(2) . . ?
Dy1 O10 H10A 125(3) . . ?
Dy1 O10 H10B 117(5) . . ?
H10A O10 H10B 112(6) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 C3 C4 0.7(7) . . . . ?
C1 C2 C3 O1 179.4(4) . . . . ?
C2 C1 C6 C5 -0.5(7) . . . . ?
C2 C3 C4 C5 -0.6(6) . . . . ?
C2 C3 C4 O2 178.5(4) . . . . ?
C2 C3 O1 C7 0.3(6) . . . . ?
C2 C3 O1 Dy1 179.7(3) . . . 2_665 ?
C3 C4 C5 C6 -0.1(6) . . . . ?
C3 C4 C5 O3 -180.0(3) . . . . ?
C3 C4 O2 Dy1 2.4(5) . . . 2_665 ?
C3 C4 O2 Dy1 -163.6(3) . . . . ?
C4 C3 O1 C7 179.1(4) . . . . ?
C4 C3 O1 Dy1 -1.5(4) . . . 2_665 ?
C4 C5 C6 C1 0.6(7) . . . . ?
C4 C5 O3 C8 -179.8(4) . . . . ?
C4 C5 O3 Dy1 -14.6(4) . . . . ?
C5 C4 O2 Dy1 15.5(5) . . . . ?
C5 C4 O2 Dy1 -178.5(3) . . . 2_665 ?
C6 C1 C2 C3 -0.1(7) . . . . ?
C6 C5 O3 C8 0.3(6) . . . . ?
C6 C5 O3 Dy1 165.5(3) . . . . ?
O1 C3 C4 C5 -179.5(3) . . . . ?
O1 C3 C4 O2 -0.4(5) . . . . ?
O2 C4 C5 C6 -179.2(4) . . . . ?
O2 C4 C5 O3 0.9(5) . . . . ?
O3 C5 C6 C1 -179.5(4) . . . . ?
O4 N1 O5 Dy1 176.0(3) . . . . ?
O4 N1 O6 Dy1 -175.9(3) . . . . ?
O5 N1 O6 Dy1 4.0(3) . . . . ?
O6 N1 O5 Dy1 -3.9(3) . . . . ?
O7 N2 O8 Dy1 -2.5(4) . . . . ?
O8 N2 O7 Dy1 2.4(4) . . . . ?
O9 N2 O7 Dy1 -176.6(4) . . . . ?
O9 N2 O8 Dy1 176.6(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_m
_database_code_depnum_ccdc_archive 'CCDC 2023549'
loop_
_audit_author_name
_audit_author_address
'Ming Kong' 'Nanjing University'
_audit_update_record             
;
2020-08-17 deposited with the CCDC.	2020-12-07 downloaded from the CCDC.
;
_audit_creation_date             2020-07-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C26 H24 Dy N2 O10 P, C2 H3 N'
_chemical_formula_sum            'C28 H27 Dy N3 O10 P'
_chemical_formula_weight         758.99
_chemical_melting_point          ?
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'
P P 0.1023 0.0942 '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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.9342(5)
_cell_length_b                   11.8499(5)
_cell_length_c                   13.2957(6)
_cell_angle_alpha                66.5120(10)
_cell_angle_beta                 70.9050(10)
_cell_angle_gamma                77.8540(10)
_cell_volume                     1486.66(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9711
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.42
_cell_measurement_theta_min      2.25
_shelx_estimated_absorpt_T_max   0.622
_shelx_estimated_absorpt_T_min   0.506
_exptl_absorpt_coefficient_mu    2.628
_exptl_absorpt_correction_T_max  0.6215
_exptl_absorpt_correction_T_min  0.5061
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            white
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.696
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             754
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0249
_diffrn_reflns_av_unetI/netI     0.0343
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            10748
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         2.251
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4862
_reflns_number_total             5188
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.702
_refine_diff_density_min         -0.519
_refine_diff_density_rms         0.074
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     391
_refine_ls_number_reflns         5188
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0223
_refine_ls_R_factor_gt           0.0197
_refine_ls_restrained_S_all      1.051
_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)+(0.0129P)²+1.3022P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0475
_refine_ls_wR_factor_ref         0.0495
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C6(H6), C10(H10), C11(H11), C12(H12), C13(H13), C14(H14),
 C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C22(H22), C23(H23), C24(H24),
  C25(H25), C26(H26)
2.b Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C27(H27A,H27B,H27C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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
C1 C 0.4287(3) 0.6481(3) 0.1679(3) 0.0360(8) Uani 1 1 d . . . . .
H1 H 0.503098 0.673525 0.108976 0.043 Uiso 1 1 calc R . . . .
C2 C 0.4264(3) 0.5268(3) 0.2376(3) 0.0322(7) Uani 1 1 d . . . . .
H2 H 0.498364 0.470796 0.226301 0.039 Uiso 1 1 calc R . . . .
C3 C 0.3158(3) 0.4878(3) 0.3254(2) 0.0233(6) Uani 1 1 d . . . . .
C4 C 0.2081(2) 0.5715(3) 0.3427(2) 0.0210(6) Uani 1 1 d . . . . .
C5 C 0.2133(2) 0.6947(3) 0.2703(2) 0.0213(6) Uani 1 1 d . . . . .
C6 C 0.3233(3) 0.7349(3) 0.1822(3) 0.0294(7) Uani 1 1 d . . . . .
H6 H 0.326594 0.817288 0.134108 0.035 Uiso 1 1 calc R . . . .
C7 C 0.4022(3) 0.2743(3) 0.3886(3) 0.0326(7) Uani 1 1 d . . . . .
H7A H 0.422394 0.273305 0.313081 0.049 Uiso 1 1 calc GR . . . .
H7B H 0.376441 0.195152 0.443342 0.049 Uiso 1 1 calc GR . . . .
H7C H 0.477541 0.291903 0.399871 0.049 Uiso 1 1 calc GR . . . .
C8 C 0.1034(3) 0.8990(3) 0.2369(3) 0.0332(7) Uani 1 1 d . . . . .
H8A H 0.173133 0.927013 0.247280 0.050 Uiso 1 1 calc GR . . . .
H8B H 0.022473 0.941268 0.265141 0.050 Uiso 1 1 calc GR . . . .
H8C H 0.117214 0.915938 0.157358 0.050 Uiso 1 1 calc GR . . . .
C9 C 0.4580(3) 0.1281(3) 0.6738(2) 0.0217(6) Uani 1 1 d . . . . .
C10 C 0.4868(3) 0.2507(3) 0.6311(3) 0.0312(7) Uani 1 1 d . . . . .
H10 H 0.421881 0.312258 0.643686 0.037 Uiso 1 1 calc R . . . .
C11 C 0.6130(3) 0.2803(4) 0.5699(3) 0.0406(8) Uani 1 1 d . . . . .
H11 H 0.632237 0.362067 0.540247 0.049 Uiso 1 1 calc R . . . .
C12 C 0.7076(3) 0.1910(4) 0.5533(3) 0.0462(10) Uani 1 1 d . . . . .
H12 H 0.791656 0.212033 0.512115 0.055 Uiso 1 1 calc R . . . .
C13 C 0.6819(3) 0.0686(4) 0.5963(3) 0.0498(10) Uani 1 1 d . . . . .
H13 H 0.748370 0.007725 0.584984 0.060 Uiso 1 1 calc R . . . .
C14 C 0.5561(3) 0.0375(3) 0.6566(3) 0.0363(8) Uani 1 1 d . . . . .
H14 H 0.537875 -0.044481 0.685428 0.044 Uiso 1 1 calc R . . . .
C15 C 0.2787(2) -0.0638(2) 0.7793(2) 0.0194(6) Uani 1 1 d . . . . .
C16 C 0.2283(3) -0.0990(3) 0.7141(2) 0.0229(6) Uani 1 1 d . . . . .
H16 H 0.200614 -0.039822 0.652731 0.028 Uiso 1 1 calc R . . . .
C17 C 0.2195(3) -0.2243(3) 0.7416(3) 0.0255(6) Uani 1 1 d . . . . .
H17 H 0.185043 -0.248672 0.698882 0.031 Uiso 1 1 calc R . . . .
C18 C 0.2616(3) -0.3119(3) 0.8317(3) 0.0273(7) Uani 1 1 d . . . . .
H18 H 0.255301 -0.395085 0.849600 0.033 Uiso 1 1 calc R . . . .
C19 C 0.3129(3) -0.2770(3) 0.8957(3) 0.0310(7) Uani 1 1 d . . . . .
H19 H 0.342364 -0.336709 0.955803 0.037 Uiso 1 1 calc R . . . .
C20 C 0.3206(3) -0.1538(3) 0.8705(3) 0.0281(6) Uani 1 1 d . . . . .
H20 H 0.354025 -0.130455 0.914544 0.034 Uiso 1 1 calc R . . . .
C21 C 0.2470(3) 0.1251(2) 0.8745(2) 0.0222(6) Uani 1 1 d . . . . .
C22 C 0.1161(3) 0.1545(3) 0.9223(3) 0.0297(7) Uani 1 1 d . . . . .
H22 H 0.054429 0.159386 0.885942 0.036 Uiso 1 1 calc R . . . .
C23 C 0.0776(3) 0.1763(3) 1.0228(3) 0.0393(8) Uani 1 1 d . . . . .
H23 H -0.009706 0.196510 1.054021 0.047 Uiso 1 1 calc R . . . .
C24 C 0.1680(4) 0.1683(3) 1.0770(3) 0.0399(9) Uani 1 1 d . . . . .
H24 H 0.141644 0.183757 1.144691 0.048 Uiso 1 1 calc R . . . .
C25 C 0.2984(4) 0.1374(3) 1.0320(3) 0.0396(8) Uani 1 1 d . . . . .
H25 H 0.359060 0.130749 1.069876 0.048 Uiso 1 1 calc R . . . .
C26 C 0.3379(3) 0.1164(3) 0.9300(3) 0.0299(7) Uani 1 1 d . . . . .
H26 H 0.425318 0.096582 0.898972 0.036 Uiso 1 1 calc R . . . .
C27 C 0.1355(5) 0.4548(4) 0.1225(4) 0.0853(18) Uani 1 1 d . . . . .
H27A H 0.114704 0.465964 0.054131 0.128 Uiso 1 1 calc GR . . . .
H27B H 0.133774 0.533991 0.127006 0.128 Uiso 1 1 calc GR . . . .
H27C H 0.072810 0.407151 0.187497 0.128 Uiso 1 1 calc GR . . . .
C28 C 0.2614(5) 0.3916(5) 0.1208(4) 0.0678(14) Uani 1 1 d . . . . .
Dy1 Dy 0.09198(2) 0.34235(2) 0.56171(2) 0.01880(5) Uani 1 1 d . . . . .
N1 N 0.0589(2) 0.2149(2) 0.4268(2) 0.0261(5) Uani 1 1 d . . . . .
N2 N 0.1568(3) 0.4414(2) 0.7005(3) 0.0357(6) Uani 1 1 d . . . . .
N3 N 0.3601(4) 0.3381(6) 0.1198(5) 0.107(2) Uani 1 1 d . . . . .
O1 O 0.29759(17) 0.36820(17) 0.40311(17) 0.0259(4) Uani 1 1 d . . . . .
O2 O 0.10117(16) 0.53516(17) 0.42705(16) 0.0227(4) Uani 1 1 d . . . . .
O3 O 0.09970(18) 0.76793(17) 0.29853(17) 0.0263(4) Uani 1 1 d . . . . .
O4 O 0.11614(19) 0.16364(18) 0.50520(18) 0.0288(5) Uani 1 1 d . . . . .
O5 O 0.0506(2) 0.1620(2) 0.3679(2) 0.0415(6) Uani 1 1 d . . . . .
O6 O 0.01039(19) 0.32535(19) 0.41399(19) 0.0315(5) Uani 1 1 d . . . . .
O7 O 0.05136(19) 0.39067(19) 0.73224(19) 0.0311(5) Uani 1 1 d . . . . .
O8 O 0.2312(2) 0.44561(19) 0.6037(2) 0.0338(5) Uani 1 1 d . . . . .
O9 O 0.1834(3) 0.4817(3) 0.7613(3) 0.0579(7) Uani 1 1 d . . . . .
O10 O 0.20370(17) 0.17699(17) 0.66972(16) 0.0232(4) Uani 1 1 d . . . . .
P1 P 0.29132(6) 0.09759(6) 0.74333(6) 0.01781(14) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
C1 H1 0.9300 . ?
C1 C2 1.366(5) . ?
C1 C6 1.391(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.385(4) . ?
C3 C4 1.391(4) . ?
C3 O1 1.390(3) . ?
C4 C5 1.393(4) . ?
C4 O2 1.334(3) . ?
C5 C6 1.386(4) . ?
C5 O3 1.392(3) . ?
C6 H6 0.9300 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C7 O1 1.440(3) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C8 O3 1.440(3) . ?
C9 C10 1.397(4) . ?
C9 C14 1.381(4) . ?
C9 P1 1.793(3) . ?
C10 H10 0.9300 . ?
C10 C11 1.390(4) . ?
C11 H11 0.9300 . ?
C11 C12 1.347(5) . ?
C12 H12 0.9300 . ?
C12 C13 1.384(5) . ?
C13 H13 0.9300 . ?
C13 C14 1.388(4) . ?
C14 H14 0.9300 . ?
C15 C16 1.389(4) . ?
C15 C20 1.394(4) . ?
C15 P1 1.801(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.397(4) . ?
C17 H17 0.9300 . ?
C17 C18 1.375(4) . ?
C18 H18 0.9300 . ?
C18 C19 1.378(4) . ?
C19 H19 0.9300 . ?
C19 C20 1.376(4) . ?
C20 H20 0.9300 . ?
C21 C22 1.394(4) . ?
C21 C26 1.386(4) . ?
C21 P1 1.794(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.376(5) . ?
C23 H23 0.9300 . ?
C23 C24 1.370(5) . ?
C24 H24 0.9300 . ?
C24 C25 1.386(5) . ?
C25 H25 0.9300 . ?
C25 C26 1.388(4) . ?
C26 H26 0.9300 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C27 C28 1.420(7) . ?
C28 N3 1.129(6) . ?
Dy1 Dy1 3.8481(3) 2_566 ?
Dy1 O1 2.5036(18) . ?
Dy1 O2 2.2948(18) 2_566 ?
Dy1 O2 2.2702(18) . ?
Dy1 O3 2.4944(18) 2_566 ?
Dy1 O4 2.454(2) . ?
Dy1 O6 2.496(2) . ?
Dy1 O7 2.436(2) . ?
Dy1 O8 2.452(2) . ?
Dy1 O10 2.3003(19) . ?
N1 O4 1.269(3) . ?
N1 O5 1.214(3) . ?
N1 O6 1.270(3) . ?
N2 O7 1.280(3) . ?
N2 O8 1.265(3) . ?
N2 O9 1.219(4) . ?
O10 P1 1.504(2) . ?

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
C2 C1 H1 118.9 . . ?
C2 C1 C6 122.1(3) . . ?
C6 C1 H1 118.9 . . ?
C1 C2 H2 120.3 . . ?
C1 C2 C3 119.4(3) . . ?
C3 C2 H2 120.3 . . ?
C2 C3 C4 120.4(3) . . ?
C2 C3 O1 126.6(3) . . ?
O1 C3 C4 113.1(2) . . ?
C3 C4 C5 119.0(2) . . ?
O2 C4 C3 120.9(2) . . ?
O2 C4 C5 120.1(2) . . ?
C6 C5 C4 121.2(3) . . ?
C6 C5 O3 126.1(3) . . ?
O3 C5 C4 112.7(2) . . ?
C1 C6 H6 121.1 . . ?
C5 C6 C1 117.9(3) . . ?
C5 C6 H6 121.1 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O1 C7 H7A 109.5 . . ?
O1 C7 H7B 109.5 . . ?
O1 C7 H7C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O3 C8 H8A 109.5 . . ?
O3 C8 H8B 109.5 . . ?
O3 C8 H8C 109.5 . . ?
C10 C9 P1 117.5(2) . . ?
C14 C9 C10 119.4(3) . . ?
C14 C9 P1 123.0(2) . . ?
C9 C10 H10 120.2 . . ?
C11 C10 C9 119.7(3) . . ?
C11 C10 H10 120.2 . . ?
C10 C11 H11 119.9 . . ?
C12 C11 C10 120.2(3) . . ?
C12 C11 H11 119.9 . . ?
C11 C12 H12 119.4 . . ?
C11 C12 C13 121.2(3) . . ?
C13 C12 H12 119.4 . . ?
C12 C13 H13 120.3 . . ?
C12 C13 C14 119.4(3) . . ?
C14 C13 H13 120.3 . . ?
C9 C14 C13 120.1(3) . . ?
C9 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C16 C15 C20 119.6(2) . . ?
C16 C15 P1 119.4(2) . . ?
C20 C15 P1 121.0(2) . . ?
C15 C16 H16 120.4 . . ?
C15 C16 C17 119.3(3) . . ?
C17 C16 H16 120.4 . . ?
C16 C17 H17 119.9 . . ?
C18 C17 C16 120.3(3) . . ?
C18 C17 H17 119.9 . . ?
C17 C18 H18 119.8 . . ?
C17 C18 C19 120.4(3) . . ?
C19 C18 H18 119.8 . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 119.9(3) . . ?
C20 C19 H19 120.0 . . ?
C15 C20 H20 119.8 . . ?
C19 C20 C15 120.4(3) . . ?
C19 C20 H20 119.8 . . ?
C22 C21 P1 118.4(2) . . ?
C26 C21 C22 119.4(3) . . ?
C26 C21 P1 122.2(2) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 C21 120.3(3) . . ?
C23 C22 H22 119.8 . . ?
C22 C23 H23 120.0 . . ?
C24 C23 C22 120.0(3) . . ?
C24 C23 H23 120.0 . . ?
C23 C24 H24 119.7 . . ?
C23 C24 C25 120.6(3) . . ?
C25 C24 H24 119.7 . . ?
C24 C25 H25 120.2 . . ?
C24 C25 C26 119.6(3) . . ?
C26 C25 H25 120.2 . . ?
C21 C26 C25 120.0(3) . . ?
C21 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C28 C27 H27A 109.5 . . ?
C28 C27 H27B 109.5 . . ?
C28 C27 H27C 109.5 . . ?
N3 C28 C27 177.9(5) . . ?
O1 Dy1 Dy1 98.59(5) . 2_566 ?
O2 Dy1 Dy1 32.35(4) 2_566 2_566 ?
O2 Dy1 Dy1 32.74(4) . 2_566 ?
O2 Dy1 O1 66.53(6) . . ?
O2 Dy1 O1 130.13(6) 2_566 . ?
O2 Dy1 O2 65.09(7) . 2_566 ?
O2 Dy1 O3 65.67(6) 2_566 2_566 ?
O2 Dy1 O3 130.07(6) . 2_566 ?
O2 Dy1 O4 119.42(7) . . ?
O2 Dy1 O4 119.25(7) 2_566 . ?
O2 Dy1 O6 77.09(7) 2_566 . ?
O2 Dy1 O6 76.25(7) . . ?
O2 Dy1 O7 100.49(7) . . ?
O2 Dy1 O7 74.69(7) 2_566 . ?
O2 Dy1 O8 103.88(7) 2_566 . ?
O2 Dy1 O8 74.71(7) . . ?
O2 Dy1 O10 142.43(7) 2_566 . ?
O2 Dy1 O10 146.25(6) . . ?
O3 Dy1 Dy1 97.70(4) 2_566 2_566 ?
O3 Dy1 O1 154.70(6) 2_566 . ?
O3 Dy1 O6 85.44(7) 2_566 . ?
O4 Dy1 Dy1 125.53(5) . 2_566 ?
O4 Dy1 O1 75.88(6) . . ?
O4 Dy1 O3 78.91(7) . 2_566 ?
O4 Dy1 O6 51.41(7) . . ?
O6 Dy1 Dy1 74.13(5) . 2_566 ?
O6 Dy1 O1 80.59(7) . . ?
O7 Dy1 Dy1 87.13(5) . 2_566 ?
O7 Dy1 O1 126.09(7) . . ?
O7 Dy1 O3 73.91(7) . 2_566 ?
O7 Dy1 O4 140.06(7) . . ?
O7 Dy1 O6 150.02(7) . . ?
O7 Dy1 O8 52.44(7) . . ?
O8 Dy1 Dy1 89.28(5) . 2_566 ?
O8 Dy1 O1 73.95(7) . . ?
O8 Dy1 O3 125.51(7) . 2_566 ?
O8 Dy1 O4 136.75(7) . . ?
O8 Dy1 O6 147.11(7) . . ?
O10 Dy1 Dy1 164.40(5) . 2_566 ?
O10 Dy1 O1 86.96(7) . . ?
O10 Dy1 O3 82.43(6) . 2_566 ?
O10 Dy1 O4 69.91(7) . . ?
O10 Dy1 O6 121.32(7) . . ?
O10 Dy1 O7 77.89(7) . . ?
O10 Dy1 O8 78.20(7) . . ?
O4 N1 O6 115.6(2) . . ?
O5 N1 O4 122.4(2) . . ?
O5 N1 O6 122.1(3) . . ?
O8 N2 O7 116.1(2) . . ?
O9 N2 O7 121.3(3) . . ?
O9 N2 O8 122.6(3) . . ?
C3 O1 C7 116.9(2) . . ?
C3 O1 Dy1 116.07(15) . . ?
C7 O1 Dy1 126.90(17) . . ?
C4 O2 Dy1 122.57(16) . . ?
C4 O2 Dy1 122.34(17) . 2_566 ?
Dy1 O2 Dy1 114.91(7) . 2_566 ?
C5 O3 C8 116.0(2) . . ?
C5 O3 Dy1 116.70(15) . 2_566 ?
C8 O3 Dy1 127.15(16) . 2_566 ?
N1 O4 Dy1 97.48(16) . . ?
N1 O6 Dy1 95.43(16) . . ?
N2 O7 Dy1 95.90(17) . . ?
N2 O8 Dy1 95.55(16) . . ?
P1 O10 Dy1 163.75(12) . . ?
C9 P1 C15 108.58(12) . . ?
C9 P1 C21 107.61(13) . . ?
C21 P1 C15 107.27(13) . . ?
O10 P1 C9 111.63(12) . . ?
O10 P1 C15 110.71(12) . . ?
O10 P1 C21 110.89(12) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 C3 C4 -0.1(5) . . . . ?
C1 C2 C3 O1 179.7(3) . . . . ?
C2 C1 C6 C5 -0.3(5) . . . . ?
C2 C3 C4 C5 0.1(4) . . . . ?
C2 C3 C4 O2 -179.9(3) . . . . ?
C2 C3 O1 C7 -2.4(4) . . . . ?
C2 C3 O1 Dy1 173.4(2) . . . . ?
C3 C4 C5 C6 -0.1(4) . . . . ?
C3 C4 C5 O3 -179.1(2) . . . . ?
C3 C4 O2 Dy1 7.4(4) . . . . ?
C3 C4 O2 Dy1 -167.4(2) . . . 2_566 ?
C4 C3 O1 C7 177.4(2) . . . . ?
C4 C3 O1 Dy1 -6.7(3) . . . . ?
C4 C5 C6 C1 0.2(4) . . . . ?
C4 C5 O3 C8 172.4(2) . . . . ?
C4 C5 O3 Dy1 -12.1(3) . . . 2_566 ?
C5 C4 O2 Dy1 -172.51(19) . . . . ?
C5 C4 O2 Dy1 12.7(3) . . . 2_566 ?
C6 C1 C2 C3 0.2(5) . . . . ?
C6 C5 O3 C8 -6.6(4) . . . . ?
C6 C5 O3 Dy1 168.9(2) . . . 2_566 ?
C9 C10 C11 C12 -1.1(5) . . . . ?
C10 C9 C14 C13 -0.7(5) . . . . ?
C10 C9 P1 C15 175.3(2) . . . . ?
C10 C9 P1 C21 -68.9(3) . . . . ?
C10 C9 P1 O10 52.9(3) . . . . ?
C10 C11 C12 C13 0.0(6) . . . . ?
C11 C12 C13 C14 0.8(6) . . . . ?
C12 C13 C14 C9 -0.4(6) . . . . ?
C14 C9 C10 C11 1.4(5) . . . . ?
C14 C9 P1 C15 -1.8(3) . . . . ?
C14 C9 P1 C21 114.0(3) . . . . ?
C14 C9 P1 O10 -124.1(3) . . . . ?
C15 C16 C17 C18 -0.6(4) . . . . ?
C16 C15 C20 C19 0.4(4) . . . . ?
C16 C15 P1 C9 -103.7(2) . . . . ?
C16 C15 P1 C21 140.2(2) . . . . ?
C16 C15 P1 O10 19.1(2) . . . . ?
C16 C17 C18 C19 -0.1(4) . . . . ?
C17 C18 C19 C20 0.9(4) . . . . ?
C18 C19 C20 C15 -1.1(5) . . . . ?
C20 C15 C16 C17 0.5(4) . . . . ?
C20 C15 P1 C9 75.3(2) . . . . ?
C20 C15 P1 C21 -40.7(3) . . . . ?
C20 C15 P1 O10 -161.8(2) . . . . ?
C21 C22 C23 C24 -0.5(5) . . . . ?
C22 C21 C26 C25 -0.2(4) . . . . ?
C22 C21 P1 C9 155.6(2) . . . . ?
C22 C21 P1 C15 -87.7(2) . . . . ?
C22 C21 P1 O10 33.3(3) . . . . ?
C22 C23 C24 C25 -0.5(5) . . . . ?
C23 C24 C25 C26 1.1(5) . . . . ?
C24 C25 C26 C21 -0.7(5) . . . . ?
C26 C21 C22 C23 0.9(4) . . . . ?
C26 C21 P1 C9 -25.3(3) . . . . ?
C26 C21 P1 C15 91.4(2) . . . . ?
C26 C21 P1 O10 -147.6(2) . . . . ?
Dy1 O10 P1 C9 -61.4(4) . . . . ?
Dy1 O10 P1 C15 177.5(4) . . . . ?
Dy1 O10 P1 C21 58.6(4) . . . . ?
O1 C3 C4 C5 -179.8(2) . . . . ?
O1 C3 C4 O2 0.3(4) . . . . ?
O2 C4 C5 C6 179.8(3) . . . . ?
O2 C4 C5 O3 0.8(4) . . . . ?
O3 C5 C6 C1 179.1(3) . . . . ?
O4 N1 O6 Dy1 3.3(2) . . . . ?
O5 N1 O4 Dy1 176.8(2) . . . . ?
O5 N1 O6 Dy1 -176.9(2) . . . . ?
O6 N1 O4 Dy1 -3.3(2) . . . . ?
O7 N2 O8 Dy1 -0.1(2) . . . . ?
O8 N2 O7 Dy1 0.1(3) . . . . ?
O9 N2 O7 Dy1 -179.1(3) . . . . ?
O9 N2 O8 Dy1 179.1(3) . . . . ?
P1 C9 C10 C11 -175.7(2) . . . . ?
P1 C9 C14 C13 176.3(3) . . . . ?
P1 C15 C16 C17 179.5(2) . . . . ?
P1 C15 C20 C19 -178.7(2) . . . . ?
P1 C21 C22 C23 180.0(2) . . . . ?
P1 C21 C26 C25 -179.3(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_m_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2023548'
loop_
_audit_author_name
_audit_author_address
'Ming Kong' 'Nanjing University'
_audit_update_record             
;
2020-08-17 deposited with the CCDC.	2020-12-07 downloaded from the CCDC.
;
_audit_creation_date             2020-07-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C8 H11 Dy N2 O10, C H4 O, C6 H7 N, N O3'
_chemical_formula_sum            'C15 H22 Dy N4 O14'
_chemical_formula_weight         644.86
_chemical_melting_point          ?
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_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'

_cell_length_a                   13.5364(6)
_cell_length_b                   8.7239(4)
_cell_length_c                   19.0630(9)
_cell_angle_alpha                90
_cell_angle_beta                 101.0790(10)
_cell_angle_gamma                90
_cell_volume                     2209.20(18)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9899
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      2.89
_shelx_estimated_absorpt_T_max   0.544
_shelx_estimated_absorpt_T_min   0.423
_exptl_absorpt_coefficient_mu    3.462
_exptl_absorpt_correction_T_max  0.5444
_exptl_absorpt_correction_T_min  0.4232
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            white
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.939
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1272
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0396
_diffrn_reflns_av_unetI/netI     0.0375
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            14318
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        24.994
_diffrn_reflns_theta_max         24.994
_diffrn_reflns_theta_min         2.177
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3576
_reflns_number_total             3883
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.995
_refine_diff_density_min         -1.324
_refine_diff_density_rms         0.183
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     320
_refine_ls_number_reflns         3883
_refine_ls_number_restraints     8
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0308
_refine_ls_restrained_S_all      1.063
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0767P)²+0.5831P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0996
_refine_ls_wR_factor_ref         0.1024
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O14-H14A
 0.99 with sigma of 0.02
 O14-H14B
 0.99 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(N3) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C11(H11), C12(H12), C14(H14), C15(H15)
4.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C)
4.c Idealised tetrahedral OH refined as rotating group:
 O13(H13)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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
C1 C 0.8685(4) 0.5975(6) 0.6223(3) 0.0373(12) Uani 1 1 d . . . . .
H1A H 0.796300 0.603130 0.611607 0.056 Uiso 1 1 calc GR . . . .
H1B H 0.892791 0.634551 0.669883 0.056 Uiso 1 1 calc GR . . . .
H1C H 0.889210 0.492982 0.618805 0.056 Uiso 1 1 calc GR . . . .
C2 C 0.8935(3) 0.6377(5) 0.5021(2) 0.0228(9) Uani 1 1 d . . . . .
C3 C 0.8442(4) 0.5040(6) 0.4767(3) 0.0336(11) Uani 1 1 d . . . . .
H3 H 0.816272 0.440426 0.506881 0.040 Uiso 1 1 calc R . . . .
C4 C 0.8374(4) 0.4673(5) 0.4055(3) 0.0378(13) Uani 1 1 d . . . . .
H4 H 0.805296 0.376918 0.388128 0.045 Uiso 1 1 calc R . . . .
C5 C 0.8765(4) 0.5601(5) 0.3599(3) 0.0318(11) Uani 1 1 d . . . . .
H5 H 0.870758 0.533014 0.312080 0.038 Uiso 1 1 calc R . . . .
C6 C 0.9247(3) 0.6943(5) 0.3853(2) 0.0219(8) Uani 1 1 d . . . . .
C7 C 0.9337(3) 0.7340(5) 0.4573(2) 0.0201(8) Uani 1 1 d . . . . .
C8 C 0.9728(4) 0.7598(6) 0.2735(2) 0.0343(11) Uani 1 1 d . . . . .
H8A H 1.005842 0.662517 0.273104 0.051 Uiso 1 1 calc GR . . . .
H8B H 1.010108 0.836667 0.253626 0.051 Uiso 1 1 calc GR . . . .
H8C H 0.905960 0.753209 0.245487 0.051 Uiso 1 1 calc GR . . . .
C9 C 0.3160(4) 0.6340(7) 0.3346(3) 0.0408(12) Uani 1 1 d . . . . .
H9A H 0.324115 0.663701 0.383917 0.061 Uiso 1 1 calc GR . . . .
H9B H 0.323498 0.524949 0.331576 0.061 Uiso 1 1 calc GR . . . .
H9C H 0.250158 0.663341 0.309741 0.061 Uiso 1 1 calc GR . . . .
C10 C 0.6576(4) 0.8639(6) 0.3530(3) 0.0373(11) Uani 1 1 d . . . . .
H10A H 0.714967 0.816613 0.339044 0.056 Uiso 1 1 calc GR . . . .
H10B H 0.678694 0.954210 0.380558 0.056 Uiso 1 1 calc GR . . . .
H10C H 0.609453 0.891398 0.311040 0.056 Uiso 1 1 calc GR . . . .
C11 C 0.5759(3) 0.8066(6) 0.4526(2) 0.0345(11) Uani 1 1 d . . . . .
H11 H 0.581372 0.910199 0.464118 0.041 Uiso 1 1 calc R . . . .
C12 C 0.5318(3) 0.7098(6) 0.4935(2) 0.0309(10) Uani 1 1 d . . . . .
H12 H 0.506702 0.748065 0.532149 0.037 Uiso 1 1 calc R . . . .
C13 C 0.5240(3) 0.5537(5) 0.4777(2) 0.0246(10) Uani 1 1 d . . . . .
C14 C 0.5603(5) 0.5024(8) 0.4187(3) 0.0434(15) Uani 1 1 d . . . . .
H14 H 0.555360 0.399456 0.405865 0.052 Uiso 1 1 calc R . . . .
C15 C 0.6037(4) 0.6060(6) 0.3792(3) 0.0402(12) Uani 1 1 d . . . . .
H15 H 0.628401 0.571717 0.339646 0.048 Uiso 1 1 calc R . . . .
Dy1 Dy 1.04563(2) 1.03218(2) 0.41207(2) 0.01818(12) Uani 1 1 d . . . . .
N1 N 1.2361(3) 0.9011(5) 0.47469(19) 0.0259(8) Uani 1 1 d . . . . .
N2 N 0.8592(3) 1.1291(4) 0.32351(19) 0.0275(8) Uani 1 1 d . . . . .
N3 N 0.3877(2) 0.0943(5) 0.34670(17) 0.0256(9) Uani 1 1 d . U . . .
N4 N 0.6112(3) 0.7552(4) 0.39641(18) 0.0267(8) Uani 1 1 d . . . . .
O1 O 0.9091(2) 0.6902(3) 0.57212(14) 0.0232(6) Uani 1 1 d . . . . .
O2 O 0.9781(2) 0.8652(3) 0.48206(15) 0.0201(6) Uani 1 1 d . . . . .
O3 O 0.9676(2) 0.8004(3) 0.34609(14) 0.0258(7) Uani 1 1 d . . . . .
O4 O 1.1694(2) 0.8242(3) 0.43372(16) 0.0266(6) Uani 1 1 d . . . . .
O5 O 1.3149(2) 0.8431(4) 0.50563(19) 0.0415(8) Uani 1 1 d . . . . .
O6 O 1.2169(3) 1.0427(3) 0.4817(2) 0.0258(8) Uani 1 1 d . . . . .
O7 O 0.8632(2) 1.0862(4) 0.38704(16) 0.0274(7) Uani 1 1 d . . . . .
O8 O 0.9427(2) 1.1367(4) 0.30247(16) 0.0305(7) Uani 1 1 d . . . . .
O9 O 0.7799(2) 1.1599(5) 0.28386(18) 0.0457(9) Uani 1 1 d . . . . .
O10 O 0.4804(3) 0.0952(6) 0.3610(2) 0.0563(11) Uani 1 1 d . . . . .
O11 O 0.3334(4) -0.0025(6) 0.3340(3) 0.0627(14) Uani 1 1 d . . . . .
O12 O 0.3501(3) 0.2401(5) 0.3431(3) 0.0659(13) Uani 1 1 d . . . . .
O13 O 0.3899(2) 0.7080(4) 0.30319(18) 0.0350(8) Uani 1 1 d . . . . .
H13 H 0.380649 0.800882 0.302852 0.053 Uiso 1 1 calc GR . . . .
O14 O 1.1378(3) 1.0560(4) 0.32156(18) 0.0303(8) Uani 1 1 d D . . . .
H14A H 1.119(5) 1.124(7) 0.280(3) 0.09(2) Uiso 1 1 d D . . . .
H14B H 1.2093(17) 1.039(6) 0.328(3) 0.043(17) Uiso 1 1 d D . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C1 O1 1.440(5) . ?
C2 C3 1.384(7) . ?
C2 C7 1.381(6) . ?
C2 O1 1.389(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.379(8) . ?
C4 H4 0.9300 . ?
C4 C5 1.368(8) . ?
C5 H5 0.9300 . ?
C5 C6 1.381(6) . ?
C6 C7 1.399(6) . ?
C6 O3 1.385(5) . ?
C7 O2 1.336(5) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C8 O3 1.443(5) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C9 O13 1.418(5) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C10 N4 1.476(6) . ?
C11 H11 0.9300 . ?
C11 C12 1.362(6) . ?
C11 N4 1.332(6) . ?
C12 H12 0.9300 . ?
C12 C13 1.395(7) . ?
C13 C13 1.493(9) 3_666 ?
C13 C14 1.386(7) . ?
C14 H14 0.9300 . ?
C14 C15 1.379(8) . ?
C15 H15 0.9300 . ?
C15 N4 1.341(7) . ?
Dy1 Dy1 3.8304(4) 3_776 ?
Dy1 O1 2.503(3) 3_776 ?
Dy1 O2 2.286(3) 3_776 ?
Dy1 O2 2.282(3) . ?
Dy1 O3 2.505(3) . ?
Dy1 O4 2.450(3) . ?
Dy1 O6 2.441(3) . ?
Dy1 O7 2.469(3) . ?
Dy1 O8 2.453(3) . ?
Dy1 O14 2.324(3) . ?
N1 O4 1.267(5) . ?
N1 O5 1.225(5) . ?
N1 O6 1.275(5) . ?
N2 O7 1.259(5) . ?
N2 O8 1.272(5) . ?
N2 O9 1.219(5) . ?
N3 O10 1.232(5) . ?
N3 O11 1.116(7) . ?
N3 O12 1.366(6) . ?
O13 H13 0.8200 . ?
O14 H14A 0.99(2) . ?
O14 H14B 0.96(2) . ?

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
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
C3 C2 O1 126.0(4) . . ?
C7 C2 C3 121.2(4) . . ?
C7 C2 O1 112.8(4) . . ?
C2 C3 H3 120.8 . . ?
C4 C3 C2 118.4(5) . . ?
C4 C3 H3 120.8 . . ?
C3 C4 H4 119.1 . . ?
C5 C4 C3 121.8(4) . . ?
C5 C4 H4 119.1 . . ?
C4 C5 H5 120.2 . . ?
C4 C5 C6 119.6(4) . . ?
C6 C5 H5 120.2 . . ?
C5 C6 C7 120.0(4) . . ?
C5 C6 O3 126.6(4) . . ?
O3 C6 C7 113.4(3) . . ?
C2 C7 C6 119.0(4) . . ?
O2 C7 C2 120.5(4) . . ?
O2 C7 C6 120.5(4) . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O3 C8 H8A 109.5 . . ?
O3 C8 H8B 109.5 . . ?
O3 C8 H8C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O13 C9 H9A 109.5 . . ?
O13 C9 H9B 109.5 . . ?
O13 C9 H9C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N4 C10 H10A 109.5 . . ?
N4 C10 H10B 109.5 . . ?
N4 C10 H10C 109.5 . . ?
C12 C11 H11 119.4 . . ?
N4 C11 H11 119.4 . . ?
N4 C11 C12 121.1(4) . . ?
C11 C12 H12 119.8 . . ?
C11 C12 C13 120.3(4) . . ?
C13 C12 H12 119.8 . . ?
C12 C13 C13 120.8(5) . 3_666 ?
C14 C13 C12 117.8(5) . . ?
C14 C13 C13 121.4(5) . 3_666 ?
C13 C14 H14 120.4 . . ?
C15 C14 C13 119.2(6) . . ?
C15 C14 H14 120.4 . . ?
C14 C15 H15 119.3 . . ?
N4 C15 C14 121.5(5) . . ?
N4 C15 H15 119.3 . . ?
O1 Dy1 Dy1 98.58(6) 3_776 3_776 ?
O1 Dy1 O3 155.73(9) 3_776 . ?
O2 Dy1 Dy1 33.04(7) . 3_776 ?
O2 Dy1 Dy1 32.98(7) 3_776 3_776 ?
O2 Dy1 O1 65.63(9) 3_776 3_776 ?
O2 Dy1 O1 131.59(9) . 3_776 ?
O2 Dy1 O2 66.02(11) . 3_776 ?
O2 Dy1 O3 66.46(9) . . ?
O2 Dy1 O3 129.94(9) 3_776 . ?
O2 Dy1 O4 76.52(10) . . ?
O2 Dy1 O4 110.40(10) 3_776 . ?
O2 Dy1 O6 77.58(11) 3_776 . ?
O2 Dy1 O6 98.72(11) . . ?
O2 Dy1 O7 77.94(10) 3_776 . ?
O2 Dy1 O7 74.71(10) . . ?
O2 Dy1 O8 116.96(10) 3_776 . ?
O2 Dy1 O8 120.62(10) . . ?
O2 Dy1 O14 143.77(11) 3_776 . ?
O2 Dy1 O14 145.46(11) . . ?
O3 Dy1 Dy1 98.35(6) . 3_776 ?
O4 Dy1 Dy1 93.96(7) . 3_776 ?
O4 Dy1 O1 123.55(9) . 3_776 ?
O4 Dy1 O3 72.28(10) . . ?
O4 Dy1 O7 143.14(10) . . ?
O4 Dy1 O8 132.58(10) . . ?
O6 Dy1 Dy1 87.82(9) . 3_776 ?
O6 Dy1 O1 73.32(9) . 3_776 ?
O6 Dy1 O3 124.62(10) . . ?
O6 Dy1 O4 52.36(10) . . ?
O6 Dy1 O7 155.20(11) . . ?
O6 Dy1 O8 140.66(11) . . ?
O7 Dy1 Dy1 73.63(7) . 3_776 ?
O7 Dy1 O1 92.94(10) . 3_776 ?
O7 Dy1 O3 75.36(11) . . ?
O8 Dy1 Dy1 125.03(7) . 3_776 ?
O8 Dy1 O1 80.14(10) . 3_776 ?
O8 Dy1 O3 75.91(10) . . ?
O8 Dy1 O7 51.78(9) . . ?
O14 Dy1 Dy1 166.44(9) . 3_776 ?
O14 Dy1 O1 81.30(10) . 3_776 ?
O14 Dy1 O3 86.23(11) . . ?
O14 Dy1 O4 75.18(11) . . ?
O14 Dy1 O6 79.13(13) . . ?
O14 Dy1 O7 119.93(11) . . ?
O14 Dy1 O8 68.43(11) . . ?
O4 N1 O6 116.2(3) . . ?
O5 N1 O4 122.0(4) . . ?
O5 N1 O6 121.8(4) . . ?
O7 N2 O8 116.3(3) . . ?
O9 N2 O7 122.1(4) . . ?
O9 N2 O8 121.6(4) . . ?
O10 N3 O12 111.0(5) . . ?
O11 N3 O10 130.8(5) . . ?
O11 N3 O12 118.0(4) . . ?
C11 N4 C10 119.5(4) . . ?
C11 N4 C15 120.1(4) . . ?
C15 N4 C10 120.4(4) . . ?
C1 O1 Dy1 125.4(3) . 3_776 ?
C2 O1 C1 116.5(3) . . ?
C2 O1 Dy1 115.0(2) . 3_776 ?
C7 O2 Dy1 121.1(2) . 3_776 ?
C7 O2 Dy1 123.0(2) . . ?
Dy1 O2 Dy1 113.98(11) . 3_776 ?
C6 O3 C8 117.1(3) . . ?
C6 O3 Dy1 116.7(2) . . ?
C8 O3 Dy1 125.9(3) . . ?
N1 O4 Dy1 95.5(2) . . ?
N1 O6 Dy1 95.6(2) . . ?
N2 O7 Dy1 95.7(2) . . ?
N2 O8 Dy1 96.1(2) . . ?
C9 O13 H13 109.5 . . ?
Dy1 O14 H14A 124(4) . . ?
Dy1 O14 H14B 124(4) . . ?
H14A O14 H14B 107(5) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2 C3 C4 C5 -1.0(8) . . . . ?
C2 C7 O2 Dy1 -179.6(3) . . . . ?
C2 C7 O2 Dy1 -16.3(5) . . . 3_776 ?
C3 C2 C7 C6 -0.5(6) . . . . ?
C3 C2 C7 O2 177.7(4) . . . . ?
C3 C2 O1 C1 -1.1(6) . . . . ?
C3 C2 O1 Dy1 -162.6(4) . . . 3_776 ?
C3 C4 C5 C6 0.3(8) . . . . ?
C4 C5 C6 C7 0.4(7) . . . . ?
C4 C5 C6 O3 -179.6(4) . . . . ?
C5 C6 C7 C2 -0.3(6) . . . . ?
C5 C6 C7 O2 -178.4(4) . . . . ?
C5 C6 O3 C8 -7.5(6) . . . . ?
C5 C6 O3 Dy1 179.0(4) . . . . ?
C6 C7 O2 Dy1 161.9(3) . . . 3_776 ?
C6 C7 O2 Dy1 -1.4(5) . . . . ?
C7 C2 C3 C4 1.1(7) . . . . ?
C7 C2 O1 C1 179.3(4) . . . . ?
C7 C2 O1 Dy1 17.8(4) . . . 3_776 ?
C7 C6 O3 C8 172.6(3) . . . . ?
C7 C6 O3 Dy1 -0.9(4) . . . . ?
C11 C12 C13 C13 179.9(5) . . . 3_666 ?
C11 C12 C13 C14 -1.5(7) . . . . ?
C12 C11 N4 C10 179.4(4) . . . . ?
C12 C11 N4 C15 0.0(7) . . . . ?
C12 C13 C14 C15 1.2(8) . . . . ?
C13 C13 C14 C15 179.8(6) 3_666 . . . ?
C13 C14 C15 N4 -0.3(9) . . . . ?
C14 C15 N4 C10 -179.7(5) . . . . ?
C14 C15 N4 C11 -0.3(8) . . . . ?
N4 C11 C12 C13 0.9(7) . . . . ?
O1 C2 C3 C4 -178.5(4) . . . . ?
O1 C2 C7 C6 179.2(3) . . . . ?
O1 C2 C7 O2 -2.7(5) . . . . ?
O3 C6 C7 C2 179.7(3) . . . . ?
O3 C6 C7 O2 1.5(5) . . . . ?
O4 N1 O6 Dy1 5.6(3) . . . . ?
O5 N1 O4 Dy1 174.8(3) . . . . ?
O5 N1 O6 Dy1 -174.8(3) . . . . ?
O6 N1 O4 Dy1 -5.5(3) . . . . ?
O7 N2 O8 Dy1 4.5(4) . . . . ?
O8 N2 O7 Dy1 -4.4(4) . . . . ?
O9 N2 O7 Dy1 174.6(4) . . . . ?
O9 N2 O8 Dy1 -174.6(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_m_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2023550'
loop_
_audit_author_name
_audit_author_address
'Ming Kong' 'Nanjing University'
_audit_update_record             
;
2020-08-17 deposited with the CCDC.	2020-12-07 downloaded from the CCDC.
;
_audit_creation_date             2020-07-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C54 H58 Dy2 O26, 4(C2 H3 N)'
_chemical_formula_sum            'C62 H70 Dy2 N4 O26'
_chemical_formula_weight         1612.22
_chemical_melting_point          ?
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_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'

_cell_length_a                   10.5172(4)
_cell_length_b                   28.6755(12)
_cell_length_c                   10.6412(4)
_cell_angle_alpha                90
_cell_angle_beta                 93.736(2)
_cell_angle_gamma                90
_cell_volume                     3202.4(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9904
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      53.83
_cell_measurement_theta_min      4.51
_shelx_estimated_absorpt_T_max   0.645
_shelx_estimated_absorpt_T_min   0.533
_exptl_absorpt_coefficient_mu    2.403
_exptl_absorpt_correction_T_max  0.6450
_exptl_absorpt_correction_T_min  0.5325
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.672
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1620
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0510
_diffrn_reflns_av_unetI/netI     0.0396
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            28891
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         2.387
_diffrn_ambient_temperature      192.95
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4816
_reflns_number_total             5609
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.925
_refine_diff_density_min         -0.932
_refine_diff_density_rms         0.124
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     440
_refine_ls_number_reflns         5609
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0461
_refine_ls_R_factor_gt           0.0377
_refine_ls_restrained_S_all      1.104
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0219P)²+23.1576P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0957
_refine_ls_wR_factor_ref         0.0993
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O13-H13B
 0.82 with sigma of 0.02
 O13-H13A
 0.82 with sigma of 0.02
3.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C3(H3), C7(H7), C10(H10), C12(H12), C16(H16), C19(H19), C21(H21),
 C25(H25)
3.b Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C),
 C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C30(H30A,H30B,
 H30C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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
C1 C 0.2851(5) 0.0181(2) 0.5889(5) 0.0217(12) Uani 1 1 d . . . . .
H1 H 0.297203 -0.008680 0.640755 0.026 Uiso 1 1 calc R . . . .
C2 C 0.3189(5) 0.01388(19) 0.4580(5) 0.0177(12) Uani 1 1 d . . . . .
C3 C 0.3069(5) 0.05212(19) 0.3758(5) 0.0171(11) Uani 1 1 d . . . . .
H3 H 0.271027 0.080676 0.401683 0.021 Uiso 1 1 calc R . . . .
C4 C 0.3486(5) 0.04706(18) 0.2562(5) 0.0144(11) Uani 1 1 d . . . . .
C5 C 0.4068(5) 0.00598(18) 0.2191(5) 0.0149(11) Uani 1 1 d . . . . .
C6 C 0.4143(5) -0.03192(19) 0.3021(5) 0.0159(11) Uani 1 1 d . . . . .
C7 C 0.3715(5) -0.02829(19) 0.4208(5) 0.0187(12) Uani 1 1 d . . . . .
H7 H 0.377514 -0.054082 0.476902 0.022 Uiso 1 1 calc R . . . .
C8 C 0.4844(7) -0.1116(2) 0.3309(6) 0.0284(14) Uani 1 1 d . . . . .
H8A H 0.538838 -0.103496 0.405937 0.043 Uiso 1 1 calc GR . . . .
H8B H 0.524514 -0.136703 0.284972 0.043 Uiso 1 1 calc GR . . . .
H8C H 0.401191 -0.122151 0.356317 0.043 Uiso 1 1 calc GR . . . .
C9 C 0.2278(6) 0.1080(2) 0.1507(6) 0.0308(15) Uani 1 1 d . . . . .
H9A H 0.155907 0.087363 0.127376 0.046 Uiso 1 1 calc GR . . . .
H9B H 0.235317 0.131618 0.084937 0.046 Uiso 1 1 calc GR . . . .
H9C H 0.213445 0.123468 0.230734 0.046 Uiso 1 1 calc GR . . . .
C10 C 0.7197(7) 0.3012(2) -0.0722(6) 0.0358(16) Uani 1 1 d . . . . .
H10 H 0.805098 0.296483 -0.093541 0.043 Uiso 1 1 calc R . . . .
C11 C 0.6423(6) 0.2598(2) -0.0558(6) 0.0286(14) Uani 1 1 d . . . . .
C12 C 0.6972(6) 0.2161(2) -0.0767(6) 0.0265(14) Uani 1 1 d . . . . .
H12 H 0.783240 0.213736 -0.097977 0.032 Uiso 1 1 calc R . . . .
C13 C 0.6239(6) 0.17711(19) -0.0656(5) 0.0217(12) Uani 1 1 d . . . . .
C14 C 0.4962(5) 0.17926(19) -0.0382(5) 0.0188(12) Uani 1 1 d . . . . .
C15 C 0.4445(6) 0.2235(2) -0.0110(6) 0.0238(13) Uani 1 1 d . . . . .
C16 C 0.5175(6) 0.2629(2) -0.0215(6) 0.0285(14) Uani 1 1 d . . . . .
H16 H 0.482162 0.292587 -0.005070 0.034 Uiso 1 1 calc R . . . .
C17 C 0.2668(7) 0.2655(2) 0.0576(8) 0.047(2) Uani 1 1 d . . . . .
H17A H 0.318942 0.279134 0.127970 0.071 Uiso 1 1 calc GR . . . .
H17B H 0.180246 0.260091 0.083363 0.071 Uiso 1 1 calc GR . . . .
H17C H 0.263701 0.286996 -0.014152 0.071 Uiso 1 1 calc GR . . . .
C18 C 0.7884(6) 0.1246(2) -0.1226(8) 0.0399(18) Uani 1 1 d . . . . .
H18A H 0.797937 0.143690 -0.197723 0.060 Uiso 1 1 calc GR . . . .
H18B H 0.799225 0.091595 -0.143715 0.060 Uiso 1 1 calc GR . . . .
H18C H 0.853047 0.133588 -0.056616 0.060 Uiso 1 1 calc GR . . . .
C19 C 0.9448(6) 0.1028(2) 0.5226(6) 0.0270(14) Uani 1 1 d . . . . .
H19 H 1.026585 0.090058 0.544590 0.032 Uiso 1 1 calc R . . . .
C20 C 0.8861(6) 0.0911(2) 0.3981(5) 0.0222(13) Uani 1 1 d . . . . .
C21 C 0.9457(5) 0.0587(2) 0.3226(6) 0.0234(13) Uani 1 1 d . . . . .
H21 H 1.026375 0.046161 0.350099 0.028 Uiso 1 1 calc R . . . .
C22 C 0.8878(5) 0.0452(2) 0.2090(5) 0.0202(12) Uani 1 1 d . . . . .
C23 C 0.7673(5) 0.06303(19) 0.1668(5) 0.0183(12) Uani 1 1 d . . . . .
C24 C 0.7132(5) 0.09699(19) 0.2431(5) 0.0179(12) Uani 1 1 d . . . . .
C25 C 0.7693(5) 0.1104(2) 0.3566(5) 0.0197(12) Uani 1 1 d . . . . .
H25 H 0.729136 0.132658 0.406832 0.024 Uiso 1 1 calc R . . . .
C26 C 1.0337(6) -0.0170(2) 0.1773(7) 0.0361(16) Uani 1 1 d . . . . .
H26A H 1.108648 0.001276 0.206446 0.054 Uiso 1 1 calc GR . . . .
H26B H 1.056772 -0.038625 0.111244 0.054 Uiso 1 1 calc GR . . . .
H26C H 1.002819 -0.034667 0.248026 0.054 Uiso 1 1 calc GR . . . .
C27 C 0.5393(6) 0.1503(2) 0.2581(6) 0.0272(14) Uani 1 1 d . . . . .
H27A H 0.518558 0.140081 0.342264 0.041 Uiso 1 1 calc GR . . . .
H27B H 0.461293 0.160391 0.210388 0.041 Uiso 1 1 calc GR . . . .
H27C H 0.599725 0.176268 0.265637 0.041 Uiso 1 1 calc GR . . . .
C28 C 0.6642(8) 0.3386(3) 0.2745(8) 0.059(2) Uani 1 1 d . . . . .
H28A H 0.612177 0.366099 0.252341 0.088 Uiso 1 1 calc GR . . . .
H28B H 0.710154 0.328928 0.201671 0.088 Uiso 1 1 calc GR . . . .
H28C H 0.725577 0.346264 0.344803 0.088 Uiso 1 1 calc GR . . . .
C29 C 0.5835(7) 0.3013(3) 0.3109(7) 0.048(2) Uani 1 1 d . . . . .
C30 C 0.4578(16) 0.3106(4) 0.6691(12) 0.120(5) Uani 1 1 d . . . . .
H30A H 0.508633 0.318078 0.747013 0.179 Uiso 1 1 calc GR . . . .
H30B H 0.375961 0.326985 0.668326 0.179 Uiso 1 1 calc GR . . . .
H30C H 0.503852 0.320522 0.596533 0.179 Uiso 1 1 calc GR . . . .
C31 C 0.4354(13) 0.2601(4) 0.6624(11) 0.087(3) Uani 1 1 d . . . . .
Dy1 Dy 0.50546(3) 0.06939(2) -0.00796(2) 0.01789(10) Uani 1 1 d . . . . .
N1 N 0.5186(8) 0.2725(3) 0.3393(8) 0.073(2) Uani 1 1 d . . . . .
N2 N 0.4263(13) 0.2203(4) 0.6519(12) 0.129(5) Uani 1 1 d . . . . .
O1 O 0.2429(4) 0.05275(14) 0.6372(4) 0.0259(9) Uani 1 1 d . . . . .
O2 O 0.4676(4) -0.07120(12) 0.2505(3) 0.0205(8) Uani 1 1 d . . . . .
O3 O 0.3428(3) 0.08127(12) 0.1640(3) 0.0166(8) Uani 1 1 d . . . . .
O4 O 0.4537(3) 0.00297(12) 0.1074(3) 0.0157(8) Uani 1 1 d . . . . .
O5 O 0.6845(5) 0.34095(16) -0.0610(5) 0.0481(14) Uani 1 1 d . . . . .
O6 O 0.3211(4) 0.22252(14) 0.0223(4) 0.0317(10) Uani 1 1 d . . . . .
O7 O 0.6646(4) 0.13156(13) -0.0786(4) 0.0232(9) Uani 1 1 d . . . . .
O8 O 0.4278(4) 0.14087(12) -0.0335(4) 0.0182(8) Uani 1 1 d . . . . .
O9 O 0.8987(5) 0.12724(16) 0.5995(4) 0.0356(11) Uani 1 1 d . . . . .
O10 O 0.5956(4) 0.11201(13) 0.1932(4) 0.0211(9) Uani 1 1 d . . . . .
O11 O 0.9356(4) 0.01372(15) 0.1280(4) 0.0268(10) Uani 1 1 d . . . . .
O12 O 0.7056(4) 0.04743(13) 0.0641(4) 0.0199(8) Uani 1 1 d . . . . .
O13 O 0.2994(4) 0.04946(15) -0.0990(4) 0.0211(9) Uani 1 1 d D . . . .
H13A H 0.278(5) 0.0233(10) -0.083(5) 0.005(14) Uiso 1 1 d D . . . .
H13B H 0.287(7) 0.052(2) -0.174(2) 0.04(2) Uiso 1 1 d D . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
C1 H1 0.9500 . ?
C1 C2 1.465(7) . ?
C1 O1 1.215(7) . ?
C2 C3 1.403(8) . ?
C2 C7 1.397(8) . ?
C3 H3 0.9500 . ?
C3 C4 1.380(7) . ?
C4 C5 1.397(7) . ?
C4 O3 1.386(6) . ?
C5 C6 1.399(7) . ?
C5 O4 1.319(6) . ?
C6 C7 1.372(7) . ?
C6 O2 1.387(6) . ?
C7 H7 0.9500 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C8 O2 1.445(6) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C9 O3 1.432(7) . ?
C10 H10 0.9500 . ?
C10 C11 1.457(8) . ?
C10 O5 1.208(8) . ?
C11 C12 1.401(8) . ?
C11 C16 1.388(9) . ?
C12 H12 0.9500 . ?
C12 C13 1.368(8) . ?
C13 C14 1.394(8) . ?
C13 O7 1.384(7) . ?
C14 C15 1.418(8) . ?
C14 O8 1.318(7) . ?
C15 C16 1.374(8) . ?
C15 O6 1.367(7) . ?
C16 H16 0.9500 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C17 O6 1.420(7) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C18 O7 1.426(7) . ?
C19 H19 0.9500 . ?
C19 C20 1.464(8) . ?
C19 O9 1.203(8) . ?
C20 C21 1.401(8) . ?
C20 C25 1.392(8) . ?
C21 H21 0.9500 . ?
C21 C22 1.375(8) . ?
C22 C23 1.413(8) . ?
C22 O11 1.365(7) . ?
C23 C24 1.411(8) . ?
C23 O12 1.313(7) . ?
C24 C25 1.364(8) . ?
C24 O10 1.382(7) . ?
C25 H25 0.9500 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C26 O11 1.429(7) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C27 O10 1.443(6) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C28 C29 1.434(12) . ?
C29 N1 1.126(11) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C30 C31 1.469(16) . ?
C31 N2 1.148(14) . ?
Dy1 Dy1 3.9852(5) 3_655 ?
Dy1 O2 2.616(4) 3_655 ?
Dy1 O3 2.607(3) . ?
Dy1 O4 2.381(3) 3_655 ?
Dy1 O4 2.349(4) . ?
Dy1 O7 2.590(4) . ?
Dy1 O8 2.217(3) . ?
Dy1 O10 2.591(4) . ?
Dy1 O12 2.281(4) . ?
Dy1 O13 2.385(4) . ?
O13 H13A 0.81(2) . ?
O13 H13B 0.81(2) . ?

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
C2 C1 H1 117.0 . . ?
O1 C1 H1 117.0 . . ?
O1 C1 C2 126.0(5) . . ?
C3 C2 C1 120.7(5) . . ?
C7 C2 C1 117.8(5) . . ?
C7 C2 C3 121.4(5) . . ?
C2 C3 H3 120.9 . . ?
C4 C3 C2 118.1(5) . . ?
C4 C3 H3 120.9 . . ?
C3 C4 C5 121.4(5) . . ?
C3 C4 O3 125.2(5) . . ?
O3 C4 C5 113.4(4) . . ?
C4 C5 C6 119.0(5) . . ?
O4 C5 C4 120.4(5) . . ?
O4 C5 C6 120.6(5) . . ?
C7 C6 C5 120.9(5) . . ?
C7 C6 O2 126.2(5) . . ?
O2 C6 C5 112.9(4) . . ?
C2 C7 H7 120.5 . . ?
C6 C7 C2 119.1(5) . . ?
C6 C7 H7 120.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O2 C8 H8A 109.5 . . ?
O2 C8 H8B 109.5 . . ?
O2 C8 H8C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O3 C9 H9A 109.5 . . ?
O3 C9 H9B 109.5 . . ?
O3 C9 H9C 109.5 . . ?
C11 C10 H10 117.3 . . ?
O5 C10 H10 117.3 . . ?
O5 C10 C11 125.5(7) . . ?
C12 C11 C10 118.0(6) . . ?
C16 C11 C10 121.7(6) . . ?
C16 C11 C12 120.4(6) . . ?
C11 C12 H12 120.8 . . ?
C13 C12 C11 118.5(6) . . ?
C13 C12 H12 120.8 . . ?
C12 C13 C14 122.5(5) . . ?
C12 C13 O7 125.7(5) . . ?
O7 C13 C14 111.8(5) . . ?
C13 C14 C15 118.0(5) . . ?
O8 C14 C13 120.5(5) . . ?
O8 C14 C15 121.5(5) . . ?
C16 C15 C14 119.7(6) . . ?
O6 C15 C14 114.6(5) . . ?
O6 C15 C16 125.7(5) . . ?
C11 C16 H16 119.6 . . ?
C15 C16 C11 120.8(6) . . ?
C15 C16 H16 119.6 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O6 C17 H17A 109.5 . . ?
O6 C17 H17B 109.5 . . ?
O6 C17 H17C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O7 C18 H18A 109.5 . . ?
O7 C18 H18B 109.5 . . ?
O7 C18 H18C 109.5 . . ?
C20 C19 H19 117.1 . . ?
O9 C19 H19 117.1 . . ?
O9 C19 C20 125.8(6) . . ?
C21 C20 C19 119.5(5) . . ?
C25 C20 C19 120.5(5) . . ?
C25 C20 C21 120.0(5) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 C20 120.2(5) . . ?
C22 C21 H21 119.9 . . ?
C21 C22 C23 120.9(5) . . ?
O11 C22 C21 125.6(5) . . ?
O11 C22 C23 113.5(5) . . ?
C24 C23 C22 117.0(5) . . ?
O12 C23 C22 121.7(5) . . ?
O12 C23 C24 121.2(5) . . ?
C25 C24 C23 122.4(5) . . ?
C25 C24 O10 125.2(5) . . ?
O10 C24 C23 112.2(5) . . ?
C20 C25 H25 120.3 . . ?
C24 C25 C20 119.4(5) . . ?
C24 C25 H25 120.3 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O11 C26 H26A 109.5 . . ?
O11 C26 H26B 109.5 . . ?
O11 C26 H26C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O10 C27 H27A 109.5 . . ?
O10 C27 H27B 109.5 . . ?
O10 C27 H27C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C29 C28 H28A 109.5 . . ?
C29 C28 H28B 109.5 . . ?
C29 C28 H28C 109.5 . . ?
N1 C29 C28 179.0(9) . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C31 C30 H30A 109.5 . . ?
C31 C30 H30B 109.5 . . ?
C31 C30 H30C 109.5 . . ?
N2 C31 C30 174.6(17) . . ?
O2 Dy1 Dy1 93.84(8) 3_655 3_655 ?
O3 Dy1 Dy1 94.51(8) . 3_655 ?
O3 Dy1 O2 143.91(12) . 3_655 ?
O4 Dy1 Dy1 32.83(8) . 3_655 ?
O4 Dy1 Dy1 32.33(8) 3_655 3_655 ?
O4 Dy1 O2 62.90(11) 3_655 3_655 ?
O4 Dy1 O2 125.12(12) . 3_655 ?
O4 Dy1 O3 63.54(11) . . ?
O4 Dy1 O3 124.83(12) 3_655 . ?
O4 Dy1 O4 65.16(14) . 3_655 ?
O4 Dy1 O7 152.36(13) . . ?
O4 Dy1 O7 109.41(12) 3_655 . ?
O4 Dy1 O10 92.03(12) . . ?
O4 Dy1 O10 135.36(12) 3_655 . ?
O4 Dy1 O13 78.23(13) 3_655 . ?
O4 Dy1 O13 77.44(13) . . ?
O7 Dy1 Dy1 136.11(8) . 3_655 ?
O7 Dy1 O2 65.57(12) . 3_655 ?
O7 Dy1 O3 125.43(12) . . ?
O7 Dy1 O10 72.94(13) . . ?
O8 Dy1 Dy1 156.51(10) . 3_655 ?
O8 Dy1 O2 85.62(12) . 3_655 ?
O8 Dy1 O3 73.24(12) . . ?
O8 Dy1 O4 135.87(13) . . ?
O8 Dy1 O4 145.81(13) . 3_655 ?
O8 Dy1 O7 64.41(13) . . ?
O8 Dy1 O10 77.13(13) . . ?
O8 Dy1 O12 128.40(14) . . ?
O8 Dy1 O13 81.59(14) . . ?
O10 Dy1 Dy1 116.48(9) . 3_655 ?
O10 Dy1 O2 138.50(12) . 3_655 ?
O10 Dy1 O3 65.16(12) . . ?
O12 Dy1 Dy1 74.84(9) . 3_655 ?
O12 Dy1 O2 100.40(13) . 3_655 ?
O12 Dy1 O3 115.67(12) . . ?
O12 Dy1 O4 73.73(13) . 3_655 ?
O12 Dy1 O4 80.82(13) . . ?
O12 Dy1 O7 71.83(13) . . ?
O12 Dy1 O10 64.69(12) . . ?
O12 Dy1 O13 149.82(14) . . ?
O13 Dy1 Dy1 75.53(10) . 3_655 ?
O13 Dy1 O2 75.99(13) . 3_655 ?
O13 Dy1 O3 72.29(13) . . ?
O13 Dy1 O7 129.37(14) . . ?
O13 Dy1 O10 136.26(13) . . ?
C6 O2 C8 117.0(4) . . ?
C6 O2 Dy1 116.5(3) . 3_655 ?
C8 O2 Dy1 125.7(3) . 3_655 ?
C4 O3 C9 116.6(4) . . ?
C4 O3 Dy1 113.8(3) . . ?
C9 O3 Dy1 126.1(3) . . ?
C5 O4 Dy1 123.1(3) . 3_655 ?
C5 O4 Dy1 122.1(3) . . ?
Dy1 O4 Dy1 114.84(14) . 3_655 ?
C15 O6 C17 117.1(5) . . ?
C13 O7 C18 117.4(5) . . ?
C13 O7 Dy1 114.3(3) . . ?
C18 O7 Dy1 128.3(3) . . ?
C14 O8 Dy1 125.4(3) . . ?
C24 O10 C27 116.0(4) . . ?
C24 O10 Dy1 116.1(3) . . ?
C27 O10 Dy1 127.9(3) . . ?
C22 O11 C26 117.5(5) . . ?
C23 O12 Dy1 125.5(3) . . ?
Dy1 O13 H13A 113(4) . . ?
Dy1 O13 H13B 117(5) . . ?
H13A O13 H13B 106(6) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 C3 C4 175.5(5) . . . . ?
C1 C2 C7 C6 -174.4(5) . . . . ?
C2 C3 C4 C5 -3.0(8) . . . . ?
C2 C3 C4 O3 179.7(5) . . . . ?
C3 C2 C7 C6 1.3(8) . . . . ?
C3 C4 C5 C6 4.8(8) . . . . ?
C3 C4 C5 O4 -175.4(5) . . . . ?
C3 C4 O3 C9 -42.3(7) . . . . ?
C3 C4 O3 Dy1 157.4(4) . . . . ?
C4 C5 C6 C7 -3.5(8) . . . . ?
C4 C5 C6 O2 176.5(5) . . . . ?
C4 C5 O4 Dy1 20.5(6) . . . . ?
C4 C5 O4 Dy1 -160.1(4) . . . 3_655 ?
C5 C4 O3 C9 140.1(5) . . . . ?
C5 C4 O3 Dy1 -20.1(5) . . . . ?
C5 C6 C7 C2 0.5(8) . . . . ?
C5 C6 O2 C8 177.5(5) . . . . ?
C5 C6 O2 Dy1 -11.9(6) . . . 3_655 ?
C6 C5 O4 Dy1 19.7(6) . . . 3_655 ?
C6 C5 O4 Dy1 -159.6(4) . . . . ?
C7 C2 C3 C4 0.0(8) . . . . ?
C7 C6 O2 C8 -2.6(8) . . . . ?
C7 C6 O2 Dy1 168.0(4) . . . 3_655 ?
C10 C11 C12 C13 -177.8(6) . . . . ?
C10 C11 C16 C15 177.6(6) . . . . ?
C11 C12 C13 C14 1.9(9) . . . . ?
C11 C12 C13 O7 -177.5(6) . . . . ?
C12 C11 C16 C15 -1.9(10) . . . . ?
C12 C13 C14 C15 -5.2(9) . . . . ?
C12 C13 C14 O8 177.2(5) . . . . ?
C12 C13 O7 C18 -8.4(9) . . . . ?
C12 C13 O7 Dy1 168.9(5) . . . . ?
C13 C14 C15 C16 4.8(8) . . . . ?
C13 C14 C15 O6 -176.3(5) . . . . ?
C13 C14 O8 Dy1 19.8(7) . . . . ?
C14 C13 O7 C18 172.1(5) . . . . ?
C14 C13 O7 Dy1 -10.6(6) . . . . ?
C14 C15 C16 C11 -1.4(9) . . . . ?
C14 C15 O6 C17 176.5(6) . . . . ?
C15 C14 O8 Dy1 -157.7(4) . . . . ?
C16 C11 C12 C13 1.7(9) . . . . ?
C16 C15 O6 C17 -4.7(9) . . . . ?
C19 C20 C21 C22 175.9(5) . . . . ?
C19 C20 C25 C24 -176.5(5) . . . . ?
C20 C21 C22 C23 -0.7(9) . . . . ?
C20 C21 C22 O11 -179.3(5) . . . . ?
C21 C20 C25 C24 1.0(8) . . . . ?
C21 C22 C23 C24 3.3(8) . . . . ?
C21 C22 C23 O12 -173.9(5) . . . . ?
C21 C22 O11 C26 18.3(8) . . . . ?
C22 C23 C24 C25 -4.0(8) . . . . ?
C22 C23 C24 O10 -180.0(5) . . . . ?
C22 C23 O12 Dy1 175.7(4) . . . . ?
C23 C22 O11 C26 -160.4(5) . . . . ?
C23 C24 C25 C20 1.9(8) . . . . ?
C23 C24 O10 C27 -173.7(5) . . . . ?
C23 C24 O10 Dy1 4.9(5) . . . . ?
C24 C23 O12 Dy1 -1.4(7) . . . . ?
C25 C20 C21 C22 -1.6(9) . . . . ?
C25 C24 O10 C27 10.4(8) . . . . ?
C25 C24 O10 Dy1 -170.9(4) . . . . ?
O1 C1 C2 C3 1.5(9) . . . . ?
O1 C1 C2 C7 177.2(6) . . . . ?
O2 C6 C7 C2 -179.4(5) . . . . ?
O3 C4 C5 C6 -177.6(5) . . . . ?
O3 C4 C5 O4 2.2(7) . . . . ?
O4 C5 C6 C7 176.7(5) . . . . ?
O4 C5 C6 O2 -3.4(7) . . . . ?
O5 C10 C11 C12 177.8(7) . . . . ?
O5 C10 C11 C16 -1.7(11) . . . . ?
O6 C15 C16 C11 179.8(6) . . . . ?
O7 C13 C14 C15 174.4(5) . . . . ?
O7 C13 C14 O8 -3.2(7) . . . . ?
O8 C14 C15 C16 -177.6(5) . . . . ?
O8 C14 C15 O6 1.3(8) . . . . ?
O9 C19 C20 C21 -174.2(6) . . . . ?
O9 C19 C20 C25 3.3(9) . . . . ?
O10 C24 C25 C20 177.3(5) . . . . ?
O11 C22 C23 C24 -177.9(5) . . . . ?
O11 C22 C23 O12 4.9(8) . . . . ?
O12 C23 C24 C25 173.2(5) . . . . ?
O12 C23 C24 O10 -2.8(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
