# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_xb9847_0m
_database_code_depnum_ccdc_archive 'CCDC 1583474'
_audit_update_record             
;
2017-11-01 deposited with the CCDC.
2018-03-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H32 Cl Dy N4 O2'
_chemical_formula_weight         678.55

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           ?
_symmetry_space_group_name_H-M   ?

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   8.6164(9)
_cell_length_b                   18.5966(19)
_cell_length_c                   17.2232(17)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.760(2)
_cell_angle_gamma                90.00
_cell_volume                     2756.6(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.30
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.635
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1356
_exptl_absorpt_coefficient_mu    2.842
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.4114
_exptl_absorpt_correction_T_max  0.4827
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            14159
_diffrn_reflns_av_R_equivalents  0.0335
_diffrn_reflns_av_sigmaI/netI    0.0400
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.61
_diffrn_reflns_theta_max         25.50
_reflns_number_total             5125
_reflns_number_gt                4145
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0249P)²+3.0347P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5125
_refine_ls_number_parameters     345
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0402
_refine_ls_R_factor_gt           0.0285
_refine_ls_wR_factor_ref         0.0701
_refine_ls_wR_factor_gt          0.0605
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.52698(2) 0.273602(11) 0.526165(11) 0.03169(8) Uani 1 1 d . . .
N4 N 0.3675(4) 0.23522(18) 0.40056(19) 0.0325(8) Uani 1 1 d . . .
O2 O 0.6457(3) 0.17141(16) 0.51835(16) 0.0399(7) Uani 1 1 d . . .
C3 C 0.3054(5) 0.1625(2) 0.4154(3) 0.0404(11) Uani 1 1 d . . .
H3A H 0.3905 0.1284 0.4188 0.048 Uiso 1 1 calc R . .
H3B H 0.2358 0.1484 0.3721 0.048 Uiso 1 1 calc R . .
C4 C 0.8168(5) 0.2349(2) 0.4000(3) 0.0377(10) Uani 1 1 d . . .
H4A H 0.8875 0.2411 0.4450 0.045 Uiso 1 1 calc R . .
H4B H 0.8745 0.2446 0.3542 0.045 Uiso 1 1 calc R . .
N2 N 0.6896(4) 0.28934(18) 0.40396(19) 0.0347(8) Uani 1 1 d . . .
O1 O 0.4181(4) 0.37231(16) 0.48690(17) 0.0420(8) Uani 1 1 d . . .
N5 N 0.2753(4) 0.2020(2) 0.5484(2) 0.0402(9) Uani 1 1 d . . .
N1 N 0.7861(4) 0.3400(2) 0.5507(2) 0.0403(9) Uani 1 1 d . . .
C9 C 0.2323(5) 0.2847(2) 0.3865(2) 0.0369(10) Uani 1 1 d . . .
H9A H 0.1724 0.2854 0.4327 0.044 Uiso 1 1 calc R . .
H9B H 0.1661 0.2652 0.3445 0.044 Uiso 1 1 calc R . .
C11 C 0.2197(5) 0.1601(2) 0.4889(3) 0.0380(10) Uani 1 1 d . . .
C12 C 0.4638(5) 0.2321(3) 0.3315(2) 0.0416(11) Uani 1 1 d . . .
H12A H 0.3967 0.2378 0.2850 0.050 Uiso 1 1 calc R . .
H12B H 0.5117 0.1850 0.3292 0.050 Uiso 1 1 calc R . .
C13 C 0.7637(5) 0.1573(2) 0.3971(2) 0.0357(10) Uani 1 1 d . . .
C14 C 0.7959(5) 0.1135(3) 0.3348(3) 0.0435(11) Uani 1 1 d . . .
H14 H 0.8463 0.1329 0.2931 0.052 Uiso 1 1 calc R . .
C42 C 0.6875(5) 0.1290(2) 0.4605(2) 0.0356(10) Uani 1 1 d . . .
C16 C 0.3620(5) 0.4021(2) 0.4205(3) 0.0379(10) Uani 1 1 d . . .
C18 C 0.0922(6) 0.1166(3) 0.4961(3) 0.0475(12) Uani 1 1 d . . .
H18 H 0.0588 0.0870 0.4551 0.057 Uiso 1 1 calc R . .
C19 C 0.8646(6) 0.3445(3) 0.6197(3) 0.0512(13) Uani 1 1 d . . .
H19 H 0.8208 0.3238 0.6627 0.061 Uiso 1 1 calc R . .
C21 C 0.8516(5) 0.3691(2) 0.4890(3) 0.0380(10) Uani 1 1 d . . .
C22 C 0.0141(6) 0.1166(3) 0.5637(3) 0.0581(15) Uani 1 1 d . . .
H22 H -0.0721 0.0873 0.5692 0.070 Uiso 1 1 calc R . .
C23 C 0.7548(6) 0.0416(3) 0.3332(3) 0.0482(12) Uani 1 1 d . . .
C24 C 0.6852(6) 0.0133(3) 0.3975(3) 0.0499(13) Uani 1 1 d . . .
H24 H 0.6598 -0.0353 0.3983 0.060 Uiso 1 1 calc R . .
C25 C 0.2220(6) 0.3903(3) 0.2953(3) 0.0460(12) Uani 1 1 d . . .
H25 H 0.1638 0.3619 0.2602 0.055 Uiso 1 1 calc R . .
C26 C 0.9933(6) 0.4036(3) 0.4954(3) 0.0508(13) Uani 1 1 d . . .
H26 H 1.0361 0.4238 0.4520 0.061 Uiso 1 1 calc R . .
C27 C 0.6530(5) 0.0558(2) 0.4602(3) 0.0421(11) Uani 1 1 d . . .
H27 H 0.6077 0.0354 0.5029 0.050 Uiso 1 1 calc R . .
C33 C 0.1983(6) 0.2015(3) 0.6134(3) 0.0526(13) Uani 1 1 d . . .
H33 H 0.2352 0.2300 0.6547 0.063 Uiso 1 1 calc R . .
C28 C 1.0716(6) 0.4077(3) 0.5683(4) 0.0633(16) Uani 1 1 d . . .
H28 H 1.1675 0.4305 0.5741 0.076 Uiso 1 1 calc R . .
C32 C 0.0663(6) 0.1609(3) 0.6229(3) 0.0581(14) Uani 1 1 d . . .
H32 H 0.0137 0.1636 0.6688 0.070 Uiso 1 1 calc R . .
C29 C 1.0054(6) 0.3778(3) 0.6304(3) 0.0576(14) Uani 1 1 d . . .
H29 H 1.0550 0.3800 0.6795 0.069 Uiso 1 1 calc R . .
C38 C 0.2734(5) 0.3604(2) 0.3665(2) 0.0364(10) Uani 1 1 d . . .
C34 C 0.3911(6) 0.4741(3) 0.4007(3) 0.0472(12) Uani 1 1 d . . .
H34 H 0.4458 0.5037 0.4359 0.057 Uiso 1 1 calc R . .
C35 C 0.3390(6) 0.5011(3) 0.3295(3) 0.0571(14) Uani 1 1 d . . .
H35 H 0.3615 0.5487 0.3175 0.069 Uiso 1 1 calc R . .
C36 C 0.2545(6) 0.4603(3) 0.2752(3) 0.0538(13) Uani 1 1 d . . .
C37 C 0.2011(8) 0.4907(3) 0.1972(3) 0.081(2) Uani 1 1 d . . .
H37A H 0.1616 0.4526 0.1642 0.121 Uiso 1 1 calc R . .
H37B H 0.2871 0.5135 0.1736 0.121 Uiso 1 1 calc R . .
H37C H 0.1206 0.5255 0.2041 0.121 Uiso 1 1 calc R . .
C39 C 0.7841(8) -0.0044(3) 0.2632(3) 0.0749(18) Uani 1 1 d . . .
H39A H 0.7903 0.0258 0.2182 0.112 Uiso 1 1 calc R . .
H39B H 0.7006 -0.0381 0.2550 0.112 Uiso 1 1 calc R . .
H39C H 0.8802 -0.0299 0.2718 0.112 Uiso 1 1 calc R . .
C40 C 0.7632(6) 0.3610(2) 0.4121(3) 0.0428(11) Uani 1 1 d . . .
H40A H 0.6836 0.3979 0.4074 0.051 Uiso 1 1 calc R . .
H40B H 0.8336 0.3680 0.3705 0.051 Uiso 1 1 calc R . .
C41 C 0.5875(5) 0.2878(3) 0.3315(2) 0.0427(12) Uani 1 1 d . . .
H41A H 0.5391 0.3346 0.3244 0.051 Uiso 1 1 calc R . .
H41B H 0.6514 0.2793 0.2876 0.051 Uiso 1 1 calc R . .
Cl1 Cl 0.52035(17) 0.28740(8) 0.67957(7) 0.0610(4) 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
Dy1 O1 2.156(3) . ?
Dy1 O2 2.166(3) . ?
Dy1 N1 2.568(4) . ?
Dy1 N5 2.589(4) . ?
Dy1 N2 2.601(3) . ?
Dy1 N4 2.606(3) . ?
Dy1 Cl1 2.6580(12) . ?
N4 C3 1.481(5) . ?
N4 C12 1.484(5) . ?
N4 C9 1.494(5) . ?
O2 C42 1.334(5) . ?
C3 C11 1.497(6) . ?
C4 N2 1.496(5) . ?
C4 C13 1.513(6) . ?
N2 C40 1.480(5) . ?
N2 C41 1.492(5) . ?
O1 C16 1.340(5) . ?
N5 C33 1.330(6) . ?
N5 C11 1.355(5) . ?
N1 C21 1.341(5) . ?
N1 C19 1.342(6) . ?
C9 C38 1.496(6) . ?
C11 C18 1.375(6) . ?
C12 C41 1.486(6) . ?
C13 C14 1.386(6) . ?
C13 C42 1.403(6) . ?
C14 C23 1.384(7) . ?
C42 C27 1.392(6) . ?
C16 C38 1.407(6) . ?
C16 C34 1.408(6) . ?
C18 C22 1.372(7) . ?
C19 C29 1.366(7) . ?
C21 C26 1.379(6) . ?
C21 C40 1.504(6) . ?
C22 C32 1.371(7) . ?
C23 C24 1.388(7) . ?
C23 C39 1.509(6) . ?
C24 C27 1.378(6) . ?
C25 C36 1.379(7) . ?
C25 C38 1.400(6) . ?
C26 C28 1.398(7) . ?
C33 C32 1.381(7) . ?
C28 C29 1.355(7) . ?
C34 C35 1.381(7) . ?
C35 C36 1.384(7) . ?
C36 C37 1.509(7) . ?

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
O1 Dy1 O2 158.07(11) . . ?
O1 Dy1 N1 90.22(11) . . ?
O2 Dy1 N1 91.31(11) . . ?
O1 Dy1 N5 97.45(12) . . ?
O2 Dy1 N5 87.65(11) . . ?
N1 Dy1 N5 161.92(12) . . ?
O1 Dy1 N2 83.89(11) . . ?
O2 Dy1 N2 76.94(11) . . ?
N1 Dy1 N2 65.25(11) . . ?
N5 Dy1 N2 131.69(11) . . ?
O1 Dy1 N4 76.62(11) . . ?
O2 Dy1 N4 86.55(11) . . ?
N1 Dy1 N4 133.45(11) . . ?
N5 Dy1 N4 64.51(11) . . ?
N2 Dy1 N4 69.03(11) . . ?
O1 Dy1 Cl1 101.52(8) . . ?
O2 Dy1 Cl1 100.33(8) . . ?
N1 Dy1 Cl1 81.37(9) . . ?
N5 Dy1 Cl1 81.06(9) . . ?
N2 Dy1 Cl1 146.29(8) . . ?
N4 Dy1 Cl1 144.68(8) . . ?
C3 N4 C12 108.8(3) . . ?
C3 N4 C9 107.7(3) . . ?
C12 N4 C9 110.8(3) . . ?
C3 N4 Dy1 106.7(2) . . ?
C12 N4 Dy1 112.6(2) . . ?
C9 N4 Dy1 110.0(2) . . ?
C42 O2 Dy1 135.3(3) . . ?
N4 C3 C11 111.7(3) . . ?
N2 C4 C13 115.2(4) . . ?
C40 N2 C41 109.3(3) . . ?
C40 N2 C4 107.6(3) . . ?
C41 N2 C4 110.6(3) . . ?
C40 N2 Dy1 105.6(2) . . ?
C41 N2 Dy1 110.8(3) . . ?
C4 N2 Dy1 112.7(2) . . ?
C16 O1 Dy1 138.9(3) . . ?
C33 N5 C11 117.4(4) . . ?
C33 N5 Dy1 125.7(3) . . ?
C11 N5 Dy1 116.9(3) . . ?
C21 N1 C19 117.6(4) . . ?
C21 N1 Dy1 117.4(3) . . ?
C19 N1 Dy1 125.0(3) . . ?
N4 C9 C38 115.2(4) . . ?
N5 C11 C18 121.6(4) . . ?
N5 C11 C3 116.8(4) . . ?
C18 C11 C3 121.5(4) . . ?
N4 C12 C41 113.6(4) . . ?
C14 C13 C42 120.0(4) . . ?
C14 C13 C4 121.0(4) . . ?
C42 C13 C4 119.0(4) . . ?
C23 C14 C13 121.6(4) . . ?
O2 C42 C27 121.0(4) . . ?
O2 C42 C13 120.8(4) . . ?
C27 C42 C13 118.2(4) . . ?
O1 C16 C38 119.9(4) . . ?
O1 C16 C34 122.6(4) . . ?
C38 C16 C34 117.5(4) . . ?
C22 C18 C11 120.2(5) . . ?
N1 C19 C29 123.7(5) . . ?
N1 C21 C26 122.0(4) . . ?
N1 C21 C40 116.3(4) . . ?
C26 C21 C40 121.7(4) . . ?
C32 C22 C18 118.3(5) . . ?
C14 C23 C24 118.1(4) . . ?
C14 C23 C39 120.7(5) . . ?
C24 C23 C39 121.2(5) . . ?
C27 C24 C23 121.2(5) . . ?
C36 C25 C38 122.4(5) . . ?
C21 C26 C28 118.9(5) . . ?
C24 C27 C42 120.9(4) . . ?
N5 C33 C32 123.4(5) . . ?
C29 C28 C26 118.9(5) . . ?
C22 C32 C33 118.9(5) . . ?
C28 C29 C19 118.9(5) . . ?
C25 C38 C16 119.9(4) . . ?
C25 C38 C9 120.5(4) . . ?
C16 C38 C9 119.6(4) . . ?
C35 C34 C16 120.5(5) . . ?
C34 C35 C36 122.6(5) . . ?
C25 C36 C35 117.1(5) . . ?
C25 C36 C37 121.4(5) . . ?
C35 C36 C37 121.5(5) . . ?
N2 C40 C21 111.7(3) . . ?
C12 C41 N2 114.1(4) . . ?

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
O1 Dy1 N4 C3 -142.9(3) . . . . ?
O2 Dy1 N4 C3 51.3(3) . . . . ?
N1 Dy1 N4 C3 139.8(2) . . . . ?
N5 Dy1 N4 C3 -37.7(3) . . . . ?
N2 Dy1 N4 C3 128.6(3) . . . . ?
Cl1 Dy1 N4 C3 -51.7(3) . . . . ?
O1 Dy1 N4 C12 97.8(3) . . . . ?
O2 Dy1 N4 C12 -68.0(3) . . . . ?
N1 Dy1 N4 C12 20.5(3) . . . . ?
N5 Dy1 N4 C12 -157.0(3) . . . . ?
N2 Dy1 N4 C12 9.3(3) . . . . ?
Cl1 Dy1 N4 C12 -171.0(2) . . . . ?
O1 Dy1 N4 C9 -26.3(3) . . . . ?
O2 Dy1 N4 C9 167.9(3) . . . . ?
N1 Dy1 N4 C9 -103.6(3) . . . . ?
N5 Dy1 N4 C9 78.9(3) . . . . ?
N2 Dy1 N4 C9 -114.8(3) . . . . ?
Cl1 Dy1 N4 C9 64.9(3) . . . . ?
O1 Dy1 O2 C42 -6.6(6) . . . . ?
N1 Dy1 O2 C42 -100.5(4) . . . . ?
N5 Dy1 O2 C42 97.6(4) . . . . ?
N2 Dy1 O2 C42 -36.3(4) . . . . ?
N4 Dy1 O2 C42 33.0(4) . . . . ?
Cl1 Dy1 O2 C42 178.1(4) . . . . ?
C12 N4 C3 C11 174.4(3) . . . . ?
C9 N4 C3 C11 -65.3(4) . . . . ?
Dy1 N4 C3 C11 52.7(4) . . . . ?
C13 C4 N2 C40 176.0(4) . . . . ?
C13 C4 N2 C41 -64.8(5) . . . . ?
C13 C4 N2 Dy1 59.9(4) . . . . ?
O1 Dy1 N2 C40 56.4(3) . . . . ?
O2 Dy1 N2 C40 -134.3(3) . . . . ?
N1 Dy1 N2 C40 -36.7(2) . . . . ?
N5 Dy1 N2 C40 150.9(2) . . . . ?
N4 Dy1 N2 C40 134.3(3) . . . . ?
Cl1 Dy1 N2 C40 -45.3(3) . . . . ?
O1 Dy1 N2 C41 -61.9(3) . . . . ?
O2 Dy1 N2 C41 107.4(3) . . . . ?
N1 Dy1 N2 C41 -154.9(3) . . . . ?
N5 Dy1 N2 C41 32.7(3) . . . . ?
N4 Dy1 N2 C41 16.1(3) . . . . ?
Cl1 Dy1 N2 C41 -163.5(2) . . . . ?
O1 Dy1 N2 C4 173.6(3) . . . . ?
O2 Dy1 N2 C4 -17.2(3) . . . . ?
N1 Dy1 N2 C4 80.5(3) . . . . ?
N5 Dy1 N2 C4 -91.9(3) . . . . ?
N4 Dy1 N2 C4 -108.5(3) . . . . ?
Cl1 Dy1 N2 C4 71.9(3) . . . . ?
O2 Dy1 O1 C16 14.9(6) . . . . ?
N1 Dy1 O1 C16 109.0(4) . . . . ?
N5 Dy1 O1 C16 -87.4(4) . . . . ?
N2 Dy1 O1 C16 43.9(4) . . . . ?
N4 Dy1 O1 C16 -25.9(4) . . . . ?
Cl1 Dy1 O1 C16 -169.8(4) . . . . ?
O1 Dy1 N5 C33 -87.6(4) . . . . ?
O2 Dy1 N5 C33 113.8(4) . . . . ?
N1 Dy1 N5 C33 26.8(6) . . . . ?
N2 Dy1 N5 C33 -176.1(4) . . . . ?
N4 Dy1 N5 C33 -158.9(4) . . . . ?
Cl1 Dy1 N5 C33 12.9(4) . . . . ?
O1 Dy1 N5 C11 93.9(3) . . . . ?
O2 Dy1 N5 C11 -64.7(3) . . . . ?
N1 Dy1 N5 C11 -151.7(4) . . . . ?
N2 Dy1 N5 C11 5.5(4) . . . . ?
N4 Dy1 N5 C11 22.6(3) . . . . ?
Cl1 Dy1 N5 C11 -165.5(3) . . . . ?
O1 Dy1 N1 C21 -63.2(3) . . . . ?
O2 Dy1 N1 C21 94.9(3) . . . . ?
N5 Dy1 N1 C21 -178.7(3) . . . . ?
N2 Dy1 N1 C21 19.9(3) . . . . ?
N4 Dy1 N1 C21 8.4(4) . . . . ?
Cl1 Dy1 N1 C21 -164.9(3) . . . . ?
O1 Dy1 N1 C19 120.5(4) . . . . ?
O2 Dy1 N1 C19 -81.4(4) . . . . ?
N5 Dy1 N1 C19 5.1(6) . . . . ?
N2 Dy1 N1 C19 -156.3(4) . . . . ?
N4 Dy1 N1 C19 -167.9(3) . . . . ?
Cl1 Dy1 N1 C19 18.9(4) . . . . ?
C3 N4 C9 C38 -177.1(3) . . . . ?
C12 N4 C9 C38 -58.2(5) . . . . ?
Dy1 N4 C9 C38 66.9(4) . . . . ?
C33 N5 C11 C18 -2.5(7) . . . . ?
Dy1 N5 C11 C18 176.1(3) . . . . ?
C33 N5 C11 C3 178.6(4) . . . . ?
Dy1 N5 C11 C3 -2.9(5) . . . . ?
N4 C3 C11 N5 -35.0(5) . . . . ?
N4 C3 C11 C18 146.0(4) . . . . ?
C3 N4 C12 C41 -152.9(4) . . . . ?
C9 N4 C12 C41 88.8(4) . . . . ?
Dy1 N4 C12 C41 -34.8(4) . . . . ?
N2 C4 C13 C14 120.0(4) . . . . ?
N2 C4 C13 C42 -63.0(5) . . . . ?
C42 C13 C14 C23 -0.1(7) . . . . ?
C4 C13 C14 C23 176.8(4) . . . . ?
Dy1 O2 C42 C27 -130.3(4) . . . . ?
Dy1 O2 C42 C13 47.9(6) . . . . ?
C14 C13 C42 O2 -175.2(4) . . . . ?
C4 C13 C42 O2 7.8(6) . . . . ?
C14 C13 C42 C27 3.1(6) . . . . ?
C4 C13 C42 C27 -173.8(4) . . . . ?
Dy1 O1 C16 C38 42.1(6) . . . . ?
Dy1 O1 C16 C34 -136.3(4) . . . . ?
N5 C11 C18 C22 2.4(7) . . . . ?
C3 C11 C18 C22 -178.7(4) . . . . ?
C21 N1 C19 C29 1.0(7) . . . . ?
Dy1 N1 C19 C29 177.3(4) . . . . ?
C19 N1 C21 C26 -1.1(7) . . . . ?
Dy1 N1 C21 C26 -177.6(3) . . . . ?
C19 N1 C21 C40 178.1(4) . . . . ?
Dy1 N1 C21 C40 1.5(5) . . . . ?
C11 C18 C22 C32 0.2(7) . . . . ?
C13 C14 C23 C24 -2.5(7) . . . . ?
C13 C14 C23 C39 177.1(5) . . . . ?
C14 C23 C24 C27 2.1(7) . . . . ?
C39 C23 C24 C27 -177.5(5) . . . . ?
N1 C21 C26 C28 0.7(7) . . . . ?
C40 C21 C26 C28 -178.4(4) . . . . ?
C23 C24 C27 C42 0.9(7) . . . . ?
O2 C42 C27 C24 174.8(4) . . . . ?
C13 C42 C27 C24 -3.5(7) . . . . ?
C11 N5 C33 C32 0.0(7) . . . . ?
Dy1 N5 C33 C32 -178.4(4) . . . . ?
C21 C26 C28 C29 -0.3(8) . . . . ?
C18 C22 C32 C33 -2.5(8) . . . . ?
N5 C33 C32 C22 2.5(8) . . . . ?
C26 C28 C29 C19 0.2(8) . . . . ?
N1 C19 C29 C28 -0.6(8) . . . . ?
C36 C25 C38 C16 -0.2(7) . . . . ?
C36 C25 C38 C9 178.7(4) . . . . ?
O1 C16 C38 C25 -176.5(4) . . . . ?
C34 C16 C38 C25 2.0(6) . . . . ?
O1 C16 C38 C9 4.6(6) . . . . ?
C34 C16 C38 C9 -176.9(4) . . . . ?
N4 C9 C38 C25 119.3(4) . . . . ?
N4 C9 C38 C16 -61.8(5) . . . . ?
O1 C16 C34 C35 176.0(4) . . . . ?
C38 C16 C34 C35 -2.5(7) . . . . ?
C16 C34 C35 C36 1.2(8) . . . . ?
C38 C25 C36 C35 -1.2(8) . . . . ?
C38 C25 C36 C37 178.5(5) . . . . ?
C34 C35 C36 C25 0.7(8) . . . . ?
C34 C35 C36 C37 -179.0(5) . . . . ?
C41 N2 C40 C21 172.8(4) . . . . ?
C4 N2 C40 C21 -67.0(4) . . . . ?
Dy1 N2 C40 C21 53.5(4) . . . . ?
N1 C21 C40 N2 -39.1(5) . . . . ?
C26 C21 C40 N2 140.1(4) . . . . ?
N4 C12 C41 N2 52.9(5) . . . . ?
C40 N2 C41 C12 -157.7(4) . . . . ?
C4 N2 C41 C12 84.0(4) . . . . ?
Dy1 N2 C41 C12 -41.7(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.546
_refine_diff_density_min         -0.441
_refine_diff_density_rms         0.088
####################################################################### 
# 
# 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_xb0746_0m
_database_code_depnum_ccdc_archive 'CCDC 1583475'
_audit_update_record             
;
2017-11-01 deposited with the CCDC.
2018-03-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H32 Br Dy N4 O2'
_chemical_formula_weight         723.01

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'
Br Br -0.2901 2.4595 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   8.606(3)
_cell_length_b                   18.545(6)
_cell_length_c                   17.441(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.068(5)
_cell_angle_gamma                90.00
_cell_volume                     2779.5(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    5750
_cell_measurement_theta_min      2.49
_cell_measurement_theta_max      26.55

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.728
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1428
_exptl_absorpt_coefficient_mu    4.160
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.5742
_exptl_absorpt_correction_T_max  0.7594
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX II area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            4818
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0537
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -1
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.60
_diffrn_reflns_theta_max         25.05
_reflns_number_total             4818
_reflns_number_gt                4262
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART APEX II'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0976P)²+17.7984P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4818
_refine_ls_number_parameters     346
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0623
_refine_ls_R_factor_gt           0.0565
_refine_ls_wR_factor_ref         0.1687
_refine_ls_wR_factor_gt          0.1644
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.47064(5) 0.22706(2) 0.47783(2) 0.02864(18) Uani 1 1 d . . .
Br1 Br 0.47433(16) 0.21311(8) 0.31604(6) 0.0615(4) Uani 1 1 d . . .
N1 N 0.3107(9) 0.2118(4) 0.5985(4) 0.0317(16) Uani 1 1 d . . .
N2 N 0.2094(10) 0.1618(5) 0.4539(5) 0.0413(19) Uani 1 1 d . . .
N3 N 0.6327(8) 0.2642(4) 0.6003(4) 0.0302(16) Uani 1 1 d . . .
N4 N 0.7264(9) 0.2963(4) 0.4535(4) 0.0364(18) Uani 1 1 d . . .
O1 O 0.3539(8) 0.3287(3) 0.4840(3) 0.0345(14) Uani 1 1 d . . .
O2 O 0.5789(9) 0.1276(4) 0.5152(4) 0.0403(15) Uani 1 1 d . . .
C1 C 0.223(2) 0.5081(7) 0.7346(7) 0.078(4) Uani 1 1 d . . .
H1A H 0.3024 0.4989 0.7740 0.117 Uiso 1 1 calc R . .
H1B H 0.1228 0.4969 0.7537 0.117 Uiso 1 1 calc R . .
H1C H 0.2251 0.5580 0.7201 0.117 Uiso 1 1 calc R . .
C2 C 0.2495(13) 0.4620(6) 0.6662(6) 0.046(3) Uani 1 1 d . . .
C3 C 0.3162(13) 0.4889(6) 0.6023(6) 0.045(2) Uani 1 1 d . . .
H3 H 0.3416 0.5376 0.6010 0.054 Uiso 1 1 calc R . .
C4 C 0.3470(12) 0.4464(5) 0.5399(6) 0.041(2) Uani 1 1 d . . .
H4 H 0.3894 0.4671 0.4972 0.049 Uiso 1 1 calc R . .
C5 C 0.3148(10) 0.3722(5) 0.5406(5) 0.0326(19) Uani 1 1 d . . .
C6 C 0.2374(10) 0.3446(5) 0.6044(5) 0.036(2) Uani 1 1 d . . .
C7 C 0.2090(12) 0.3889(6) 0.6650(6) 0.043(2) Uani 1 1 d . . .
H7 H 0.1610 0.3696 0.7069 0.052 Uiso 1 1 calc R . .
C8 C 0.1852(10) 0.2669(5) 0.6020(5) 0.035(2) Uani 1 1 d . . .
H8A H 0.1276 0.2575 0.6472 0.042 Uiso 1 1 calc R . .
H8B H 0.1138 0.2606 0.5576 0.042 Uiso 1 1 calc R . .
C9 C 0.2363(12) 0.1406(5) 0.5913(5) 0.040(2) Uani 1 1 d . . .
H9A H 0.1656 0.1345 0.6323 0.048 Uiso 1 1 calc R . .
H9B H 0.3153 0.1034 0.5967 0.048 Uiso 1 1 calc R . .
C10 C 0.1467(11) 0.1321(5) 0.5144(6) 0.038(2) Uani 1 1 d . . .
C11 C 0.0041(13) 0.0959(6) 0.5090(7) 0.048(3) Uani 1 1 d . . .
H11 H -0.0371 0.0759 0.5524 0.057 Uiso 1 1 calc R . .
C12 C -0.0743(14) 0.0903(7) 0.4386(8) 0.062(3) Uani 1 1 d . . .
H12 H -0.1689 0.0662 0.4330 0.075 Uiso 1 1 calc R . .
C13 C -0.0096(14) 0.1212(7) 0.3770(7) 0.058(3) Uani 1 1 d . . .
H13 H -0.0614 0.1191 0.3289 0.070 Uiso 1 1 calc R . .
C14 C 0.1288(13) 0.1547(6) 0.3854(6) 0.049(3) Uani 1 1 d . . .
H14 H 0.1714 0.1740 0.3421 0.059 Uiso 1 1 calc R . .
C15 C 0.4116(12) 0.2125(6) 0.6699(5) 0.041(2) Uani 1 1 d . . .
H15A H 0.4585 0.1653 0.6773 0.049 Uiso 1 1 calc R . .
H15B H 0.3480 0.2218 0.7131 0.049 Uiso 1 1 calc R . .
C16 C 0.5388(12) 0.2684(6) 0.6691(5) 0.042(2) Uani 1 1 d . . .
H16A H 0.4923 0.3159 0.6714 0.050 Uiso 1 1 calc R . .
H16B H 0.6073 0.2624 0.7147 0.050 Uiso 1 1 calc R . .
C17 C 0.7674(11) 0.2140(5) 0.6137(5) 0.035(2) Uani 1 1 d . . .
H17A H 0.8354 0.2331 0.6550 0.041 Uiso 1 1 calc R . .
H17B H 0.8261 0.2128 0.5677 0.041 Uiso 1 1 calc R . .
C18 C 0.7236(11) 0.1386(5) 0.6336(5) 0.036(2) Uani 1 1 d . . .
C19 C 0.7755(13) 0.1092(6) 0.7037(6) 0.045(2) Uani 1 1 d . . .
H19 H 0.8340 0.1378 0.7382 0.054 Uiso 1 1 calc R . .
C20 C 0.7432(14) 0.0390(6) 0.7239(7) 0.053(3) Uani 1 1 d . . .
C21 C 0.6559(14) -0.0019(6) 0.6702(6) 0.052(3) Uani 1 1 d . . .
H21 H 0.6313 -0.0492 0.6823 0.063 Uiso 1 1 calc R . .
C22 C 0.6046(14) 0.0255(6) 0.5995(6) 0.046(2) Uani 1 1 d . . .
H22 H 0.5508 -0.0041 0.5642 0.055 Uiso 1 1 calc R . .
C23 C 0.6328(11) 0.0972(5) 0.5809(5) 0.038(2) Uani 1 1 d . . .
C24 C 0.7945(19) 0.0084(8) 0.8019(8) 0.084(5) Uani 1 1 d . . .
H24A H 0.7048 -0.0004 0.8309 0.126 Uiso 1 1 calc R . .
H24B H 0.8618 0.0422 0.8289 0.126 Uiso 1 1 calc R . .
H24C H 0.8494 -0.0361 0.7952 0.126 Uiso 1 1 calc R . .
C25 C 0.6963(11) 0.3370(5) 0.5867(5) 0.034(2) Uani 1 1 d . . .
H25A H 0.7670 0.3504 0.6295 0.041 Uiso 1 1 calc R . .
H25B H 0.6119 0.3718 0.5836 0.041 Uiso 1 1 calc R . .
C26 C 0.7817(11) 0.3391(5) 0.5133(5) 0.036(2) Uani 1 1 d . . .
C27 C 0.9074(12) 0.3826(6) 0.5057(6) 0.047(3) Uani 1 1 d . . .
H27 H 0.9411 0.4124 0.5461 0.056 Uiso 1 1 calc R . .
C28 C 0.9847(13) 0.3828(7) 0.4392(7) 0.060(3) Uani 1 1 d . . .
H28 H 1.0703 0.4126 0.4337 0.072 Uiso 1 1 calc R . .
C29 C 0.9333(13) 0.3382(7) 0.3811(7) 0.054(3) Uani 1 1 d . . .
H29 H 0.9849 0.3356 0.3357 0.065 Uiso 1 1 calc R . .
C30 C 0.8038(13) 0.2976(7) 0.3914(6) 0.051(3) Uani 1 1 d . . .
H30 H 0.7679 0.2686 0.3507 0.062 Uiso 1 1 calc R . .


_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
Dy1 O1 2.141(6) . ?
Dy1 O2 2.151(7) . ?
Dy1 N2 2.567(8) . ?
Dy1 N3 2.582(7) . ?
Dy1 N1 2.590(7) . ?
Dy1 N4 2.603(8) . ?
Dy1 Br1 2.8356(14) . ?
N1 C9 1.469(11) . ?
N1 C15 1.480(12) . ?
N1 C8 1.491(11) . ?
N2 C10 1.331(13) . ?
N2 C14 1.355(13) . ?
N3 C25 1.480(11) . ?
N3 C16 1.484(12) . ?
N3 C17 1.496(11) . ?
N4 C30 1.302(13) . ?
N4 C26 1.376(12) . ?
O1 C5 1.331(11) . ?
O2 C23 1.339(11) . ?
C1 C2 1.497(14) . ?
C2 C3 1.374(15) . ?
C2 C7 1.400(15) . ?
C3 C4 1.380(14) . ?
C4 C5 1.405(13) . ?
C5 C6 1.422(13) . ?
C6 C7 1.371(14) . ?
C6 C8 1.509(13) . ?
C9 C10 1.519(14) . ?
C10 C11 1.397(14) . ?
C11 C12 1.373(18) . ?
C12 C13 1.361(18) . ?
C13 C14 1.344(16) . ?
C15 C16 1.508(14) . ?
C17 C18 1.494(13) . ?
C18 C19 1.392(13) . ?
C18 C23 1.403(13) . ?
C19 C20 1.380(16) . ?
C20 C21 1.393(16) . ?
C20 C24 1.518(15) . ?
C21 C22 1.384(14) . ?
C22 C23 1.392(14) . ?
C25 C26 1.511(14) . ?
C26 C27 1.361(14) . ?
C27 C28 1.369(18) . ?
C28 C29 1.362(17) . ?
C29 C30 1.364(15) . ?

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
O1 Dy1 O2 159.4(2) . . ?
O1 Dy1 N2 90.8(3) . . ?
O2 Dy1 N2 90.4(3) . . ?
O1 Dy1 N3 87.5(2) . . ?
O2 Dy1 N3 76.8(2) . . ?
N2 Dy1 N3 133.6(2) . . ?
O1 Dy1 N1 77.5(2) . . ?
O2 Dy1 N1 84.3(2) . . ?
N2 Dy1 N1 65.3(2) . . ?
N3 Dy1 N1 69.1(2) . . ?
O1 Dy1 N4 88.7(3) . . ?
O2 Dy1 N4 96.7(3) . . ?
N2 Dy1 N4 161.2(2) . . ?
N3 Dy1 N4 65.1(2) . . ?
N1 Dy1 N4 132.6(2) . . ?
O1 Dy1 Br1 99.26(16) . . ?
O2 Dy1 Br1 101.26(17) . . ?
N2 Dy1 Br1 81.47(18) . . ?
N3 Dy1 Br1 144.44(17) . . ?
N1 Dy1 Br1 146.41(18) . . ?
N4 Dy1 Br1 80.10(17) . . ?
C9 N1 C15 108.2(7) . . ?
C9 N1 C8 107.8(7) . . ?
C15 N1 C8 110.7(7) . . ?
C9 N1 Dy1 106.1(5) . . ?
C15 N1 Dy1 111.7(5) . . ?
C8 N1 Dy1 112.1(5) . . ?
C10 N2 C14 116.6(9) . . ?
C10 N2 Dy1 117.1(6) . . ?
C14 N2 Dy1 126.3(7) . . ?
C25 N3 C16 107.7(7) . . ?
C25 N3 C17 107.6(7) . . ?
C16 N3 C17 110.9(7) . . ?
C25 N3 Dy1 107.4(5) . . ?
C16 N3 Dy1 112.9(5) . . ?
C17 N3 Dy1 110.0(5) . . ?
C30 N4 C26 116.7(9) . . ?
C30 N4 Dy1 128.3(7) . . ?
C26 N4 Dy1 115.0(6) . . ?
C5 O1 Dy1 135.1(5) . . ?
C23 O2 Dy1 138.2(6) . . ?
C3 C2 C7 117.0(9) . . ?
C3 C2 C1 121.9(11) . . ?
C7 C2 C1 121.0(11) . . ?
C2 C3 C4 122.6(10) . . ?
C3 C4 C5 120.4(9) . . ?
O1 C5 C4 122.0(8) . . ?
O1 C5 C6 120.7(8) . . ?
C4 C5 C6 117.3(9) . . ?
C7 C6 C5 119.9(9) . . ?
C7 C6 C8 121.9(9) . . ?
C5 C6 C8 118.2(8) . . ?
C6 C7 C2 122.5(10) . . ?
N1 C8 C6 116.1(7) . . ?
N1 C9 C10 111.6(8) . . ?
N2 C10 C11 122.5(10) . . ?
N2 C10 C9 116.7(8) . . ?
C11 C10 C9 120.9(9) . . ?
C12 C11 C10 119.0(11) . . ?
C13 C12 C11 118.1(11) . . ?
C14 C13 C12 120.4(11) . . ?
C13 C14 N2 123.4(11) . . ?
N1 C15 C16 113.1(7) . . ?
N3 C16 C15 113.5(8) . . ?
N3 C17 C18 114.5(7) . . ?
C19 C18 C23 120.1(9) . . ?
C19 C18 C17 119.9(9) . . ?
C23 C18 C17 120.0(8) . . ?
C20 C19 C18 122.3(10) . . ?
C19 C20 C21 116.8(10) . . ?
C19 C20 C24 121.9(12) . . ?
C21 C20 C24 121.3(11) . . ?
C22 C21 C20 122.2(10) . . ?
C21 C22 C23 120.5(10) . . ?
O2 C23 C22 123.1(9) . . ?
O2 C23 C18 119.0(8) . . ?
C22 C23 C18 117.9(9) . . ?
N3 C25 C26 111.1(7) . . ?
C27 C26 N4 120.8(9) . . ?
C27 C26 C25 121.5(9) . . ?
N4 C26 C25 117.6(8) . . ?
C26 C27 C28 120.6(11) . . ?
C29 C28 C27 118.4(10) . . ?
C28 C29 C30 118.2(11) . . ?
N4 C30 C29 125.3(11) . . ?

_diffrn_measured_fraction_theta_max 0.979
_diffrn_reflns_theta_full        25.05
_diffrn_measured_fraction_theta_full 0.979
_refine_diff_density_max         3.822
_refine_diff_density_min         -3.551
_refine_diff_density_rms         0.209
