# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_Complex_1
_database_code_depnum_ccdc_archive 'CCDC 1987110'
loop_
_audit_author_name
_audit_author_address
'Siba Prasad Bera'
;IISER Bhopal
India
;
_audit_update_record             
;
2020-02-28 deposited with the CCDC.	2020-07-14 downloaded from the CCDC.
;
_audit_creation_date             2019-12-09
_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_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C78 H66 Dy2 N6 O16 P2'
_chemical_formula_sum            'C78 H66 Dy2 N6 O16 P2'
_chemical_formula_weight         1730.30
_chemical_melting_point          ?
_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_diffrn_ambient_temperature      140.0
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'
P P 0.1023 0.0942 '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                   12.3944(10)
_cell_length_b                   16.8447(14)
_cell_length_c                   17.3271(14)
_cell_angle_alpha                90
_cell_angle_beta                 103.003(2)
_cell_angle_gamma                90
_cell_volume                     3524.8(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9866
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      26.44
_cell_measurement_theta_min      2.20
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.224
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6679
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1261 before and 0.0681 after correction.
The Ratio of minimum to maximum transmission is 0.8960.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_density_diffrn    1.630
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             1732
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0871
_diffrn_reflns_av_unetI/netI     0.0545
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            59685
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.533
_diffrn_reflns_theta_min         2.284
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_probe          ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5518
_reflns_number_total             7278
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.705
_refine_diff_density_min         -0.625
_refine_diff_density_rms         0.124
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     474
_refine_ls_number_reflns         7278
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0674
_refine_ls_R_factor_gt           0.0393
_refine_ls_restrained_S_all      1.027
_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)+(0.0074P)²+11.4563P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0591
_refine_ls_wR_factor_ref         0.0663
_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
 O1-H1
 0.87 with sigma of 0.01
 C1-H1
 1.908676 with sigma of 0.02
 Dy1-H1
 2.984252 with sigma of 0.02
3.a Aromatic/amide H refined with riding coordinates:
 C8(H8), C9(H9), C27(H27), C21(H21), C35(H35), C10(H10), C24(H24), C26(H26),
 C2(H2), C29(H29), C17(H17), C19(H19), C3(H3), C18(H18), C39(H39), C36(H36),
 C4(H4), C25(H25), C13(H13), C12(H12), C33(H33), C37(H37), C30(H30), C38(H38),
 C31(H31), C32(H32)
3.b Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C1(H1A,H1B,H1C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_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
Dy1 Dy 0.36891(2) 0.55471(2) 0.44468(2) 0.01703(6) Uani 1 1 d D . . . .
P1 P 0.28978(9) 0.73387(6) 0.54078(6) 0.0199(2) Uani 1 1 d . . . . .
O2 O 0.5443(2) 0.56747(15) 0.53022(15) 0.0188(6) Uani 1 1 d . . . . .
O3 O 0.3577(2) 0.52305(17) 0.31986(15) 0.0226(7) Uani 1 1 d . . . . .
O6 O 0.1898(2) 0.75639(17) 0.48101(16) 0.0248(7) Uani 1 1 d . . . . .
O7 O 0.2520(2) 0.72610(17) 0.62348(16) 0.0231(7) Uani 1 1 d . . . . .
O5 O 0.3520(2) 0.66233(16) 0.52588(16) 0.0226(7) Uani 1 1 d . . . . .
O8 O 0.3797(2) 0.80353(16) 0.55788(17) 0.0240(7) Uani 1 1 d . . . . .
N3 N 0.3034(3) 0.50275(19) 0.5641(2) 0.0194(8) Uani 1 1 d . . . . .
O1 O 0.2228(3) 0.64481(18) 0.37237(16) 0.0299(7) Uani 1 1 d D . . . .
H1 H 0.202(3) 0.6827(18) 0.4004(10) 0.045 Uiso 1 1 d DR . . . .
O4 O 0.2676(2) 0.4476(2) 0.18966(16) 0.0337(7) Uani 1 1 d . . . . .
N1 N 0.4952(3) 0.6442(2) 0.3936(2) 0.0218(8) Uani 1 1 d . . . . .
C8 C 0.3596(4) 0.5183(3) 0.6374(3) 0.0253(10) Uani 1 1 d . . . . .
H8 H 0.427651 0.546177 0.644266 0.030 Uiso 1 1 calc R . . . .
C22 C 0.5883(3) 0.6415(2) 0.5295(2) 0.0180(9) Uani 1 1 d . . . . .
N2 N 0.1904(3) 0.4716(2) 0.4146(2) 0.0236(8) Uani 1 1 d . . . . .
C23 C 0.5646(3) 0.6839(2) 0.4581(2) 0.0218(10) Uani 1 1 d . . . . .
C7 C 0.2074(3) 0.4620(2) 0.5553(2) 0.0213(10) Uani 1 1 d . . . . .
C9 C 0.3233(4) 0.4955(3) 0.7049(3) 0.0277(11) Uani 1 1 d . . . . .
H9 H 0.365202 0.508751 0.756248 0.033 Uiso 1 1 calc R . . . .
C15 C 0.3823(3) 0.5489(3) 0.2549(2) 0.0248(10) Uani 1 1 d . . . . .
C34 C 0.3223(3) 0.7126(2) 0.6973(2) 0.0223(10) Uani 1 1 d . . . . .
C6 C 0.1480(3) 0.4451(3) 0.4752(2) 0.0218(9) Uani 1 1 d . . . . .
C20 C 0.4523(4) 0.6144(3) 0.2520(2) 0.0274(10) Uani 1 1 d . . . . .
C27 C 0.6553(3) 0.6753(3) 0.5965(3) 0.0245(10) Uani 1 1 d . . . . .
H27 H 0.671712 0.646948 0.645175 0.029 Uiso 1 1 calc R . . . .
C16 C 0.3368(4) 0.5090(3) 0.1821(3) 0.0288(11) Uani 1 1 d . . . . .
C21 C 0.5082(4) 0.6553(3) 0.3228(3) 0.0271(10) Uani 1 1 d . . . . .
H21 H 0.560344 0.694791 0.316511 0.033 Uiso 1 1 calc R . . . .
C35 C 0.4332(4) 0.6940(3) 0.7080(3) 0.0276(10) Uani 1 1 d . . . . .
H35 H 0.467085 0.691756 0.664066 0.033 Uiso 1 1 calc R . . . .
C11 C 0.1658(4) 0.4356(3) 0.6201(3) 0.0285(10) Uani 1 1 d . . . . .
C10 C 0.2272(4) 0.4541(3) 0.6960(3) 0.0323(11) Uani 1 1 d . . . . .
H10 H 0.201742 0.437843 0.741321 0.039 Uiso 1 1 calc R . . . .
C24 C 0.6062(4) 0.7603(3) 0.4552(3) 0.0302(11) Uani 1 1 d . . . . .
H24 H 0.588285 0.789551 0.407099 0.036 Uiso 1 1 calc R . . . .
C26 C 0.6981(4) 0.7510(3) 0.5918(3) 0.0325(12) Uani 1 1 d . . . . .
H26 H 0.745009 0.773777 0.637357 0.039 Uiso 1 1 calc R . . . .
C2 C 0.1359(3) 0.4537(3) 0.3419(2) 0.0274(10) Uani 1 1 d . . . . .
H2 H 0.165367 0.470960 0.298618 0.033 Uiso 1 1 calc R . . . .
C29 C 0.2567(4) 0.9093(3) 0.5825(2) 0.0271(10) Uani 1 1 d . . . . .
H29 H 0.193342 0.875982 0.569933 0.033 Uiso 1 1 calc R . . . .
C17 C 0.3625(4) 0.5325(3) 0.1126(3) 0.0364(13) Uani 1 1 d . . . . .
H17 H 0.332064 0.504631 0.064990 0.044 Uiso 1 1 calc R . . . .
C28 C 0.3599(4) 0.8799(2) 0.5804(2) 0.0228(10) Uani 1 1 d . . . . .
C19 C 0.4767(4) 0.6368(3) 0.1788(3) 0.0363(12) Uani 1 1 d . . . . .
H19 H 0.524535 0.680514 0.177223 0.044 Uiso 1 1 calc R . . . .
C14 C 0.2203(4) 0.4041(3) 0.1196(3) 0.0436(14) Uani 1 1 d . . . . .
H14A H 0.176248 0.440035 0.080277 0.065 Uiso 1 1 calc GR . . . .
H14B H 0.172556 0.362030 0.132343 0.065 Uiso 1 1 calc GR . . . .
H14C H 0.279505 0.380501 0.098063 0.065 Uiso 1 1 calc GR . . . .
C3 C 0.0376(4) 0.4108(3) 0.3259(3) 0.0403(13) Uani 1 1 d . . . . .
H3 H 0.000773 0.400155 0.272640 0.048 Uiso 1 1 calc R . . . .
C5 C 0.0490(4) 0.4008(3) 0.4643(3) 0.0333(11) Uani 1 1 d . . . . .
C18 C 0.4328(4) 0.5969(3) 0.1110(3) 0.0429(14) Uani 1 1 d . . . . .
H18 H 0.449925 0.612745 0.062528 0.051 Uiso 1 1 calc R . . . .
C1 C 0.1768(4) 0.6591(3) 0.2910(3) 0.0457(14) Uani 1 1 d D . . . .
H1A H 0.183323 0.611021 0.260457 0.069 Uiso 1 1 calc GR . . . .
H1B H 0.216785 0.702696 0.272441 0.069 Uiso 1 1 calc GR . . . .
H1C H 0.098517 0.673345 0.283761 0.069 Uiso 1 1 calc GR . . . .
C39 C 0.2743(4) 0.7180(3) 0.7611(3) 0.0341(12) Uani 1 1 d . . . . .
H39 H 0.198142 0.731198 0.753442 0.041 Uiso 1 1 calc R . . . .
C36 C 0.4941(4) 0.6786(3) 0.7838(3) 0.0345(12) Uani 1 1 d . . . . .
H36 H 0.569907 0.664249 0.791303 0.041 Uiso 1 1 calc R . . . .
C4 C -0.0060(4) 0.3842(3) 0.3865(3) 0.0433(14) Uani 1 1 d . . . . .
H4 H -0.072995 0.354700 0.375914 0.052 Uiso 1 1 calc R . . . .
C25 C 0.6732(4) 0.7937(3) 0.5216(3) 0.0336(12) Uani 1 1 d . . . . .
H25 H 0.702208 0.845681 0.519244 0.040 Uiso 1 1 calc R . . . .
C13 C 0.0099(4) 0.3753(3) 0.5315(3) 0.0467(14) Uani 1 1 d . . . . .
H13 H -0.056988 0.345688 0.523669 0.056 Uiso 1 1 calc R . . . .
C12 C 0.0650(4) 0.3919(3) 0.6055(3) 0.0434(14) Uani 1 1 d . . . . .
H12 H 0.036298 0.374301 0.648949 0.052 Uiso 1 1 calc R . . . .
C33 C 0.4521(4) 0.9283(3) 0.5990(3) 0.0388(13) Uani 1 1 d . . . . .
H33 H 0.523199 0.908095 0.597509 0.047 Uiso 1 1 calc R . . . .
C37 C 0.4473(4) 0.6835(3) 0.8481(3) 0.0400(13) Uani 1 1 d . . . . .
H37 H 0.490107 0.672878 0.899818 0.048 Uiso 1 1 calc R . . . .
C30 C 0.2466(4) 0.9878(3) 0.6030(3) 0.0330(12) Uani 1 1 d . . . . .
H30 H 0.175540 1.008394 0.603946 0.040 Uiso 1 1 calc R . . . .
C38 C 0.3373(4) 0.7042(3) 0.8369(3) 0.0431(14) Uani 1 1 d . . . . .
H38 H 0.304370 0.709071 0.881150 0.052 Uiso 1 1 calc R . . . .
C31 C 0.3373(5) 1.0361(3) 0.6220(3) 0.0501(15) Uani 1 1 d . . . . .
H31 H 0.329710 1.089812 0.636568 0.060 Uiso 1 1 calc R . . . .
C32 C 0.4397(5) 1.0059(3) 0.6196(4) 0.0619(19) Uani 1 1 d . . . . .
H32 H 0.502931 1.039381 0.632432 0.074 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 Dy1 3.8509(5) 3_666 ?
Dy1 O2 2.350(3) . ?
Dy1 O2 2.317(3) 3_666 ?
Dy1 O3 2.201(3) . ?
Dy1 O5 2.333(3) . ?
Dy1 N3 2.542(3) . ?
Dy1 O1 2.476(3) . ?
Dy1 N1 2.476(3) . ?
Dy1 N2 2.570(3) . ?
P1 O6 1.475(3) . ?
P1 O7 1.610(3) . ?
P1 O5 1.484(3) . ?
P1 O8 1.600(3) . ?
O2 C22 1.362(5) . ?
O3 C15 1.305(5) . ?
O7 C34 1.394(5) . ?
O8 C28 1.383(5) . ?
N3 C8 1.330(5) . ?
N3 C7 1.353(5) . ?
O1 C1 1.418(5) . ?
O4 C16 1.369(6) . ?
O4 C14 1.425(5) . ?
N1 C23 1.416(5) . ?
N1 C21 1.287(5) . ?
C8 C9 1.398(6) . ?
C22 C23 1.401(6) . ?
C22 C27 1.389(6) . ?
N2 C6 1.352(5) . ?
N2 C2 1.324(5) . ?
C23 C24 1.391(6) . ?
C7 C6 1.444(6) . ?
C7 C11 1.408(6) . ?
C9 C10 1.358(6) . ?
C15 C20 1.412(6) . ?
C15 C16 1.429(6) . ?
C34 C35 1.381(6) . ?
C34 C39 1.371(6) . ?
C6 C5 1.411(6) . ?
C20 C21 1.441(6) . ?
C20 C19 1.420(6) . ?
C27 C26 1.390(6) . ?
C16 C17 1.372(6) . ?
C35 C36 1.383(6) . ?
C11 C10 1.400(6) . ?
C11 C12 1.423(6) . ?
C24 C25 1.379(6) . ?
C26 C25 1.388(6) . ?
C2 C3 1.390(6) . ?
C29 C28 1.379(6) . ?
C29 C30 1.381(6) . ?
C17 C18 1.396(7) . ?
C28 C33 1.381(6) . ?
C19 C18 1.356(7) . ?
C3 C4 1.360(7) . ?
C5 C4 1.396(7) . ?
C5 C13 1.425(7) . ?
C39 C38 1.387(7) . ?
C36 C37 1.371(7) . ?
C13 C12 1.339(7) . ?
C33 C32 1.373(7) . ?
C37 C38 1.378(7) . ?
C30 C31 1.367(7) . ?
C31 C32 1.377(8) . ?

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
O2 Dy1 Dy1 34.67(6) 3_666 3_666 ?
O2 Dy1 Dy1 34.13(6) . 3_666 ?
O2 Dy1 O2 68.80(10) 3_666 . ?
O2 Dy1 O5 132.66(9) 3_666 . ?
O2 Dy1 N3 86.42(10) . . ?
O2 Dy1 N3 76.18(10) 3_666 . ?
O2 Dy1 O1 153.50(10) 3_666 . ?
O2 Dy1 O1 136.95(10) . . ?
O2 Dy1 N1 107.68(10) 3_666 . ?
O2 Dy1 N1 66.41(10) . . ?
O2 Dy1 N2 84.04(10) 3_666 . ?
O2 Dy1 N2 144.07(10) . . ?
O3 Dy1 Dy1 103.46(7) . 3_666 ?
O3 Dy1 O2 119.13(10) . . ?
O3 Dy1 O2 83.87(10) . 3_666 ?
O3 Dy1 O5 141.85(10) . . ?
O3 Dy1 N3 139.04(11) . . ?
O3 Dy1 O1 76.95(10) . . ?
O3 Dy1 N1 72.64(11) . . ?
O3 Dy1 N2 78.93(11) . . ?
O5 Dy1 Dy1 104.58(7) . 3_666 ?
O5 Dy1 O2 75.18(9) . . ?
O5 Dy1 N3 71.83(10) . . ?
O5 Dy1 O1 70.99(10) . . ?
O5 Dy1 N1 83.81(10) . . ?
O5 Dy1 N2 110.82(10) . . ?
N3 Dy1 Dy1 79.52(7) . 3_666 ?
N3 Dy1 N2 63.86(11) . . ?
O1 Dy1 Dy1 169.87(8) . 3_666 ?
O1 Dy1 N3 106.96(10) . . ?
O1 Dy1 N2 74.53(11) . . ?
N1 Dy1 Dy1 86.48(8) . 3_666 ?
N1 Dy1 N3 147.55(11) . . ?
N1 Dy1 O1 84.00(11) . . ?
N1 Dy1 N2 147.56(11) . . ?
N2 Dy1 Dy1 115.57(8) . 3_666 ?
O6 P1 O7 106.22(16) . . ?
O6 P1 O5 118.30(17) . . ?
O6 P1 O8 112.45(16) . . ?
O5 P1 O7 110.82(16) . . ?
O5 P1 O8 105.06(16) . . ?
O8 P1 O7 103.00(15) . . ?
Dy1 O2 Dy1 111.20(10) 3_666 . ?
C22 O2 Dy1 113.2(2) . . ?
C22 O2 Dy1 130.2(2) . 3_666 ?
C15 O3 Dy1 142.3(3) . . ?
C34 O7 P1 125.6(3) . . ?
P1 O5 Dy1 148.91(17) . . ?
C28 O8 P1 125.0(3) . . ?
C8 N3 Dy1 121.1(3) . . ?
C8 N3 C7 117.8(4) . . ?
C7 N3 Dy1 121.1(3) . . ?
C1 O1 Dy1 133.8(3) . . ?
C16 O4 C14 117.0(4) . . ?
C23 N1 Dy1 109.0(2) . . ?
C21 N1 Dy1 130.9(3) . . ?
C21 N1 C23 120.0(4) . . ?
N3 C8 C9 123.2(4) . . ?
O2 C22 C23 118.1(4) . . ?
O2 C22 C27 122.2(4) . . ?
C27 C22 C23 119.8(4) . . ?
C6 N2 Dy1 119.4(3) . . ?
C2 N2 Dy1 123.2(3) . . ?
C2 N2 C6 117.4(4) . . ?
C22 C23 N1 115.2(4) . . ?
C24 C23 N1 124.9(4) . . ?
C24 C23 C22 119.9(4) . . ?
N3 C7 C6 117.0(4) . . ?
N3 C7 C11 122.7(4) . . ?
C11 C7 C6 120.3(4) . . ?
C10 C9 C8 119.0(4) . . ?
O3 C15 C20 123.8(4) . . ?
O3 C15 C16 118.8(4) . . ?
C20 C15 C16 117.4(4) . . ?
C35 C34 O7 123.9(4) . . ?
C39 C34 O7 115.7(4) . . ?
C39 C34 C35 120.3(4) . . ?
N2 C6 C7 118.5(4) . . ?
N2 C6 C5 123.3(4) . . ?
C5 C6 C7 118.2(4) . . ?
C15 C20 C21 121.7(4) . . ?
C15 C20 C19 119.7(4) . . ?
C19 C20 C21 118.4(4) . . ?
C22 C27 C26 119.4(4) . . ?
O4 C16 C15 113.7(4) . . ?
O4 C16 C17 125.2(4) . . ?
C17 C16 C15 121.1(5) . . ?
N1 C21 C20 127.0(4) . . ?
C34 C35 C36 119.0(4) . . ?
C7 C11 C12 119.1(4) . . ?
C10 C11 C7 117.4(4) . . ?
C10 C11 C12 123.5(4) . . ?
C9 C10 C11 119.9(4) . . ?
C25 C24 C23 120.4(4) . . ?
C25 C26 C27 121.0(4) . . ?
N2 C2 C3 123.0(4) . . ?
C28 C29 C30 119.2(5) . . ?
C16 C17 C18 120.7(4) . . ?
C29 C28 O8 124.5(4) . . ?
C29 C28 C33 120.4(4) . . ?
C33 C28 O8 115.1(4) . . ?
C18 C19 C20 121.2(5) . . ?
C4 C3 C2 120.0(4) . . ?
C6 C5 C13 119.7(4) . . ?
C4 C5 C6 117.1(4) . . ?
C4 C5 C13 123.2(4) . . ?
C19 C18 C17 119.9(4) . . ?
C34 C39 C38 119.9(5) . . ?
C37 C36 C35 121.3(5) . . ?
C3 C4 C5 119.2(4) . . ?
C24 C25 C26 119.5(4) . . ?
C12 C13 C5 121.6(5) . . ?
C13 C12 C11 121.1(5) . . ?
C32 C33 C28 119.1(5) . . ?
C36 C37 C38 119.1(5) . . ?
C31 C30 C29 120.9(5) . . ?
C37 C38 C39 120.3(5) . . ?
C30 C31 C32 119.2(5) . . ?
C33 C32 C31 121.1(5) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_symmetry_cell_setting           ?
_symmetry_space_group_name_h-m   ?
_symmetry_int_tables_number      ?
_chemical_absolute_configuration ?

####################################################################### 
# 
# 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_Complex_2
_database_code_depnum_ccdc_archive 'CCDC 1987111'
loop_
_audit_author_name
_audit_author_address
'Siba Prasad Bera'
;IISER Bhopal
India
;
_audit_update_record             
;
2020-02-28 deposited with the CCDC.	2020-07-14 downloaded from the CCDC.
;
_audit_creation_date             2019-12-09
_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_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C52 H38 Dy2 N8 O12'
_chemical_formula_sum            'C52 H38 Dy2 N8 O12'
_chemical_formula_weight         1291.90
_chemical_melting_point          ?
_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_diffrn_ambient_temperature      140.0
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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   23.4456(15)
_cell_length_b                   14.2211(8)
_cell_length_c                   14.9699(8)
_cell_angle_alpha                90
_cell_angle_beta                 104.704(2)
_cell_angle_gamma                90
_cell_volume                     4827.8(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6741
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      25.62
_cell_measurement_theta_min      2.34
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.146
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6153
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0783 before and 0.0617 after correction.
The Ratio of minimum to maximum transmission is 0.8256.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_density_diffrn    1.777
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             2536
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0805
_diffrn_reflns_av_unetI/netI     0.0639
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21543
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.711
_diffrn_reflns_theta_min         2.340
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_probe          ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3335
_reflns_number_total             4594
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.506
_refine_diff_density_min         -1.270
_refine_diff_density_rms         0.156
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         4594
_refine_ls_number_restraints     228
_refine_ls_R_factor_all          0.0867
_refine_ls_R_factor_gt           0.0537
_refine_ls_restrained_S_all      1.098
_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)+(0.0349P)²+64.2645P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1011
_refine_ls_wR_factor_ref         0.1125
_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. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.004 and sigma
for terminal atoms of 0.008
3.a Me refined with riding coordinates:
 C1(H1A,H1B,H1C)
3.b Aromatic/amide H refined with riding coordinates:
 C17(H17), C16(H16), C15(H15), C19(H19), C10(H10), C8(H8), C20(H20), C13(H13),
 C5(H5), C11(H11), C24(H24), C12(H12), C6(H6), C23(H23), C22(H22), C7(H7)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Dy1 Dy 0.30701(2) 0.73212(2) 0.61182(2) 0.02998(13) Uani 1 1 d . U . . .
O3 O 0.2067(2) 0.7382(4) 0.5436(3) 0.0339(11) Uani 1 1 d . U . . .
O4 O 0.2702(3) 0.7799(4) 0.7453(4) 0.0488(14) Uani 1 1 d . U . . .
O2 O 0.3648(3) 0.6177(4) 0.5993(4) 0.0465(14) Uani 1 1 d . U . . .
O5 O 0.3577(3) 0.7208(4) 0.7769(4) 0.0516(14) Uani 1 1 d . U . . .
O6 O 0.3191(3) 0.7627(5) 0.8881(4) 0.0670(18) Uani 1 1 d . U . . .
N1 N 0.2919(3) 0.9097(4) 0.6023(4) 0.0371(13) Uani 1 1 d . U . . .
N4 N 0.3161(4) 0.7553(5) 0.8063(5) 0.0484(14) Uani 1 1 d . U . . .
N3 N 0.2553(4) 0.5882(5) 0.6380(4) 0.0467(14) Uani 1 1 d . U . . .
N2 N 0.3990(3) 0.8258(5) 0.6220(4) 0.0367(13) Uani 1 1 d . U . . .
C18 C 0.3309(4) 1.0610(6) 0.5715(5) 0.0435(14) Uani 1 1 d . U . . .
C26 C 0.3377(4) 0.9640(5) 0.5917(5) 0.0378(13) Uani 1 1 d . U . . .
C17 C 0.2759(4) 1.1014(6) 0.5657(6) 0.0472(16) Uani 1 1 d . U . . .
H17 H 0.270166 1.166772 0.553560 0.057 Uiso 1 1 calc R . . . .
C16 C 0.2304(4) 1.0473(6) 0.5775(5) 0.0472(16) Uani 1 1 d . U . . .
H16 H 0.192830 1.074218 0.573918 0.057 Uiso 1 1 calc R . . . .
C15 C 0.2402(4) 0.9510(6) 0.5951(5) 0.0418(15) Uani 1 1 d . U . . .
H15 H 0.208133 0.913467 0.602313 0.050 Uiso 1 1 calc R . . . .
C19 C 0.3810(4) 1.1119(6) 0.5596(6) 0.0483(16) Uani 1 1 d . U . . .
H19 H 0.376605 1.176526 0.543118 0.058 Uiso 1 1 calc R . . . .
C10 C 0.1618(4) 0.5624(7) 0.6895(6) 0.0542(17) Uani 1 1 d . U . . .
H10 H 0.176387 0.506727 0.722571 0.065 Uiso 1 1 calc R . . . .
C8 C 0.2754(5) 0.5035(6) 0.6511(6) 0.0515(16) Uani 1 1 d . U . . .
H8 H 0.248920 0.456822 0.662032 0.062 Uiso 1 1 calc R . . . .
C14 C 0.1731(4) 0.6932(6) 0.5912(5) 0.0401(13) Uani 1 1 d . U . . .
C21 C 0.4433(4) 0.9743(6) 0.5942(5) 0.0432(14) Uani 1 1 d . U . . .
C25 C 0.3941(4) 0.9199(6) 0.6030(5) 0.0375(13) Uani 1 1 d . U . . .
C20 C 0.4336(4) 1.0718(6) 0.5708(6) 0.0475(16) Uani 1 1 d . U . . .
H20 H 0.465765 1.108886 0.563145 0.057 Uiso 1 1 calc R . . . .
C13 C 0.1179(4) 0.7258(7) 0.5935(5) 0.0455(15) Uani 1 1 d . U . . .
H13 H 0.102652 0.781452 0.561120 0.055 Uiso 1 1 calc R . . . .
C9 C 0.1960(4) 0.6111(6) 0.6391(5) 0.0466(14) Uani 1 1 d . U . . .
C5 C 0.3477(5) 0.3763(7) 0.6742(6) 0.0639(18) Uani 1 1 d . U . . .
H5 H 0.319858 0.336221 0.691249 0.077 Uiso 1 1 calc R . . . .
C4 C 0.3332(5) 0.4727(6) 0.6507(6) 0.0554(15) Uani 1 1 d . U . . .
C3 C 0.3755(5) 0.5293(6) 0.6243(6) 0.0542(15) Uani 1 1 d . U . . .
C11 C 0.1085(5) 0.5963(7) 0.6898(6) 0.0565(17) Uani 1 1 d . U . . .
H11 H 0.085704 0.563312 0.723749 0.068 Uiso 1 1 calc R . . . .
C24 C 0.4520(4) 0.7864(6) 0.6346(5) 0.0428(15) Uani 1 1 d . U . . .
H24 H 0.455829 0.721197 0.648520 0.051 Uiso 1 1 calc R . . . .
C12 C 0.0851(4) 0.6774(7) 0.6428(6) 0.0531(17) Uani 1 1 d . U . . .
H12 H 0.047138 0.699178 0.644652 0.064 Uiso 1 1 calc R . . . .
C6 C 0.4014(6) 0.3428(7) 0.6719(7) 0.0704(19) Uani 1 1 d . U . . .
H6 H 0.410323 0.278758 0.687318 0.084 Uiso 1 1 calc R . . . .
C23 C 0.5024(4) 0.8363(6) 0.6284(6) 0.0474(16) Uani 1 1 d . U . . .
H23 H 0.539608 0.806017 0.638811 0.057 Uiso 1 1 calc R . . . .
C22 C 0.4965(4) 0.9287(6) 0.6072(6) 0.0484(16) Uani 1 1 d . U . . .
H22 H 0.530022 0.963119 0.601145 0.058 Uiso 1 1 calc R . . . .
C7 C 0.4434(6) 0.3978(7) 0.6481(7) 0.0725(19) Uani 1 1 d . U . . .
H7 H 0.480915 0.372774 0.647786 0.087 Uiso 1 1 calc R . . . .
C2 C 0.4297(6) 0.4893(8) 0.6249(7) 0.0702(17) Uani 1 1 d . U . . .
O1 O 0.4748(4) 0.5574(6) 0.6066(6) 0.092(2) Uani 1 1 d . U . . .
C1 C 0.5470(7) 0.5358(11) 0.6135(10) 0.120(4) Uani 1 1 d . U . . .
H1A H 0.565654 0.592968 0.597843 0.181 Uiso 1 1 calc R . . . .
H1B H 0.566874 0.516264 0.676529 0.181 Uiso 1 1 calc R . . . .
H1C H 0.550169 0.485531 0.570210 0.181 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 Dy1 3.7510(7) 7_566 ?
Dy1 O3 2.305(5) 7_566 ?
Dy1 O3 2.317(5) . ?
Dy1 O4 2.465(6) . ?
Dy1 O2 2.156(6) . ?
Dy1 O5 2.461(5) . ?
Dy1 N1 2.548(6) . ?
Dy1 N4 2.884(7) . ?
Dy1 N3 2.461(7) . ?
Dy1 N2 2.507(6) . ?
O3 C14 1.350(9) . ?
O4 N4 1.270(9) . ?
O2 C3 1.317(10) . ?
O5 N4 1.267(9) . ?
O6 N4 1.212(9) . ?
N1 C26 1.364(10) . ?
N1 C15 1.328(11) . ?
N3 C8 1.291(11) . ?
N3 C9 1.432(12) . ?
N2 C25 1.367(10) . ?
N2 C24 1.331(11) . ?
C18 C26 1.412(11) . ?
C18 C17 1.394(13) . ?
C18 C19 1.429(12) . ?
C26 C25 1.436(12) . ?
C17 C16 1.364(13) . ?
C16 C15 1.401(11) . ?
C19 C20 1.330(13) . ?
C10 C9 1.413(12) . ?
C10 C11 1.340(14) . ?
C8 C4 1.427(14) . ?
C14 C13 1.382(13) . ?
C14 C9 1.404(12) . ?
C21 C25 1.421(12) . ?
C21 C20 1.435(12) . ?
C21 C22 1.376(13) . ?
C13 C12 1.377(12) . ?
C5 C4 1.434(13) . ?
C5 C6 1.354(15) . ?
C4 C3 1.408(14) . ?
C3 C2 1.392(15) . ?
C11 C12 1.390(14) . ?
C24 C23 1.401(12) . ?
C6 C7 1.373(16) . ?
C23 C22 1.350(12) . ?
C7 C2 1.363(14) . ?
C2 O1 1.510(14) . ?
O1 C1 1.697(17) . ?

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
O3 Dy1 Dy1 35.64(12) . 7_566 ?
O3 Dy1 Dy1 35.85(13) 7_566 7_566 ?
O3 Dy1 O3 71.5(2) 7_566 . ?
O3 Dy1 O4 141.3(2) 7_566 . ?
O3 Dy1 O4 79.76(18) . . ?
O3 Dy1 O5 128.56(19) . . ?
O3 Dy1 O5 159.0(2) 7_566 . ?
O3 Dy1 N1 77.32(19) 7_566 . ?
O3 Dy1 N1 80.1(2) . . ?
O3 Dy1 N4 104.3(2) . . ?
O3 Dy1 N4 162.5(2) 7_566 . ?
O3 Dy1 N3 67.3(2) . . ?
O3 Dy1 N3 111.40(19) 7_566 . ?
O3 Dy1 N2 82.01(19) 7_566 . ?
O3 Dy1 N2 140.2(2) . . ?
O4 Dy1 Dy1 111.69(14) . 7_566 ?
O4 Dy1 N1 72.6(2) . . ?
O4 Dy1 N4 26.0(2) . . ?
O4 Dy1 N2 106.1(2) . . ?
O2 Dy1 Dy1 110.24(15) . 7_566 ?
O2 Dy1 O3 88.8(2) . 7_566 ?
O2 Dy1 O3 125.5(2) . . ?
O2 Dy1 O4 129.5(2) . . ?
O2 Dy1 O5 83.3(2) . . ?
O2 Dy1 N1 145.5(2) . . ?
O2 Dy1 N4 106.7(2) . . ?
O2 Dy1 N3 74.5(3) . . ?
O2 Dy1 N2 81.7(2) . . ?
O5 Dy1 Dy1 163.43(16) . 7_566 ?
O5 Dy1 O4 51.9(2) . . ?
O5 Dy1 N1 98.4(2) . . ?
O5 Dy1 N4 25.9(2) . . ?
O5 Dy1 N3 85.3(2) . . ?
O5 Dy1 N2 77.6(2) . . ?
N1 Dy1 Dy1 76.02(14) . 7_566 ?
N1 Dy1 N4 85.2(2) . . ?
N4 Dy1 Dy1 137.63(17) . 7_566 ?
N3 Dy1 Dy1 89.21(16) . 7_566 ?
N3 Dy1 O4 79.2(2) . . ?
N3 Dy1 N1 140.0(3) . . ?
N3 Dy1 N4 81.2(2) . . ?
N3 Dy1 N2 152.1(2) . . ?
N2 Dy1 Dy1 112.92(14) . 7_566 ?
N2 Dy1 N1 65.3(2) . . ?
N2 Dy1 N4 92.1(2) . . ?
Dy1 O3 Dy1 108.5(2) 7_566 . ?
C14 O3 Dy1 132.0(4) . 7_566 ?
C14 O3 Dy1 114.4(5) . . ?
N4 O4 Dy1 95.7(5) . . ?
C3 O2 Dy1 140.7(6) . . ?
N4 O5 Dy1 96.0(5) . . ?
C26 N1 Dy1 117.8(5) . . ?
C15 N1 Dy1 123.7(5) . . ?
C15 N1 C26 118.0(7) . . ?
O4 N4 Dy1 58.3(4) . . ?
O5 N4 Dy1 58.1(4) . . ?
O5 N4 O4 116.3(6) . . ?
O6 N4 Dy1 178.2(6) . . ?
O6 N4 O4 121.6(8) . . ?
O6 N4 O5 122.1(8) . . ?
C8 N3 Dy1 128.7(7) . . ?
C8 N3 C9 121.9(8) . . ?
C9 N3 Dy1 109.4(5) . . ?
C25 N2 Dy1 118.8(5) . . ?
C24 N2 Dy1 122.9(5) . . ?
C24 N2 C25 117.8(7) . . ?
C26 C18 C19 118.1(9) . . ?
C17 C18 C26 117.9(8) . . ?
C17 C18 C19 124.1(8) . . ?
N1 C26 C18 122.0(8) . . ?
N1 C26 C25 117.8(7) . . ?
C18 C26 C25 120.2(8) . . ?
C16 C17 C18 120.1(8) . . ?
C17 C16 C15 118.7(9) . . ?
N1 C15 C16 123.4(9) . . ?
C20 C19 C18 122.2(9) . . ?
C11 C10 C9 118.7(10) . . ?
N3 C8 C4 126.6(9) . . ?
O3 C14 C13 121.9(8) . . ?
O3 C14 C9 117.7(8) . . ?
C13 C14 C9 120.3(8) . . ?
C25 C21 C20 117.9(9) . . ?
C22 C21 C25 117.2(8) . . ?
C22 C21 C20 124.8(8) . . ?
N2 C25 C26 118.6(7) . . ?
N2 C25 C21 121.7(8) . . ?
C21 C25 C26 119.7(8) . . ?
C19 C20 C21 121.9(9) . . ?
C12 C13 C14 120.0(9) . . ?
C10 C9 N3 125.3(9) . . ?
C14 C9 N3 115.5(8) . . ?
C14 C9 C10 119.0(9) . . ?
C6 C5 C4 119.6(11) . . ?
C8 C4 C5 117.3(10) . . ?
C3 C4 C8 124.2(9) . . ?
C3 C4 C5 118.4(10) . . ?
O2 C3 C4 122.0(10) . . ?
O2 C3 C2 119.9(10) . . ?
C2 C3 C4 118.1(9) . . ?
C10 C11 C12 123.0(9) . . ?
N2 C24 C23 123.4(8) . . ?
C13 C12 C11 118.9(10) . . ?
C5 C6 C7 122.6(10) . . ?
C22 C23 C24 118.1(9) . . ?
C23 C22 C21 121.8(9) . . ?
C2 C7 C6 118.1(12) . . ?
C3 C2 O1 114.7(9) . . ?
C7 C2 C3 123.2(12) . . ?
C7 C2 O1 121.9(11) . . ?
C2 O1 C1 127.3(9) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_symmetry_cell_setting           ?
_symmetry_space_group_name_h-m   ?
_symmetry_int_tables_number      ?
_chemical_absolute_configuration ?

####################################################################### 
# 
# 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_Complex_3
_database_code_depnum_ccdc_archive 'CCDC 1987112'
loop_
_audit_author_name
_audit_author_address
'Siba Prasad Bera'
;IISER Bhopal
India
;
_audit_update_record             
;
2020-02-28 deposited with the CCDC.	2020-07-14 downloaded from the CCDC.
;
_audit_creation_date             2019-09-20
_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_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C52 H38 Cl2 Dy2 N6 O6'
_chemical_formula_sum            'C52 H38 Cl2 Dy2 N6 O6'
_chemical_formula_weight         1238.78
_chemical_melting_point          ?
_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_diffrn_ambient_temperature      140(2)
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'
Cl Cl 0.1484 0.1585 '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                   11.5978(3)
_cell_length_b                   11.6814(3)
_cell_length_c                   17.3607(4)
_cell_angle_alpha                90
_cell_angle_beta                 95.2840(10)
_cell_angle_gamma                90
_cell_volume                     2342.01(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4881
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      25.70
_cell_measurement_theta_min      2.48
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.338
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6388
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0713 before and 0.0420 after correction.
The Ratio of minimum to maximum transmission is 0.8571.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_density_diffrn    1.757
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             1212
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.28
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0328
_diffrn_reflns_av_unetI/netI     0.0380
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.959
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            15257
_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.959
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.769
_diffrn_reflns_theta_min         2.029
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_probe          ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3699
_reflns_number_total             4300
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_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    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.478
_refine_diff_density_min         -0.452
_refine_diff_density_rms         0.099
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.920
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     308
_refine_ls_number_reflns         4300
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0249
_refine_ls_restrained_S_all      0.920
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0218P)²+2.6882P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0487
_refine_ls_wR_factor_ref         0.0510
_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:
 C10(H10), C15(H15), C3(H3), C2(H2), C17(H17), C20(H20), C16(H16), C18(H18),
 C9(H9), C25(H25), C1(H1), C23(H23), C8(H8), C5(H5), C24(H24), C6(H6)
2.b Idealised Me refined as rotating group:
 C27(H27A,H27B,H27C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Dy1 Dy 0.08187(2) 0.08447(2) 0.43182(2) 0.01449(6) Uani 1 1 d . . . . .
Cl2 Cl 0.21018(8) 0.26915(7) 0.43909(5) 0.0256(2) Uani 1 1 d . . . . .
C10 C 0.2345(3) -0.0478(3) 0.2978(2) 0.0281(9) Uani 1 1 d . . . . .
H10 H 0.176822 -0.013600 0.264805 0.034 Uiso 1 1 calc R . . . .
O3 O -0.01126(19) 0.09565(17) 0.54378(12) 0.0150(5) Uani 1 1 d . . . . .
O2 O 0.0081(2) 0.07546(19) 0.31373(12) 0.0224(6) Uani 1 1 d . . . . .
C14 C -0.0544(3) 0.2013(3) 0.55689(19) 0.0184(8) Uani 1 1 d . . . . .
C15 C -0.0625(3) 0.2430(3) 0.63125(19) 0.0235(8) Uani 1 1 d . . . . .
H15 H -0.039668 0.197731 0.674026 0.028 Uiso 1 1 calc R . . . .
N3 N -0.0833(2) 0.2180(2) 0.41943(15) 0.0194(6) Uani 1 1 d . . . . .
O1 O -0.0098(2) -0.0169(2) 0.17690(13) 0.0354(7) Uani 1 1 d . . . . .
C4 C 0.4161(3) -0.1011(3) 0.5531(2) 0.0264(9) Uani 1 1 d . . . . .
C19 C -0.0924(3) 0.2694(3) 0.49311(19) 0.0208(8) Uani 1 1 d . . . . .
N2 N 0.2410(2) 0.0106(2) 0.52847(15) 0.0185(6) Uani 1 1 d . . . . .
C3 C 0.4186(3) -0.0737(3) 0.6317(2) 0.0333(10) Uani 1 1 d . . . . .
H3 H 0.477551 -0.101760 0.666519 0.040 Uiso 1 1 calc R . . . .
C2 C 0.3348(3) -0.0058(3) 0.6568(2) 0.0309(9) Uani 1 1 d . . . . .
H2 H 0.336101 0.013863 0.708827 0.037 Uiso 1 1 calc R . . . .
N1 N 0.2372(2) -0.0274(2) 0.37313(16) 0.0213(7) Uani 1 1 d . . . . .
C17 C -0.1388(4) 0.4209(3) 0.5787(2) 0.0422(11) Uani 1 1 d . . . . .
H17 H -0.166274 0.494486 0.586189 0.051 Uiso 1 1 calc R . . . .
C20 C -0.1546(3) 0.2438(3) 0.36139(19) 0.0221(8) Uani 1 1 d . . . . .
H20 H -0.208883 0.300363 0.369070 0.027 Uiso 1 1 calc R . . . .
C21 C -0.0788(3) 0.1102(3) 0.26608(19) 0.0215(8) Uani 1 1 d . . . . .
C26 C -0.0934(3) 0.0613(3) 0.1901(2) 0.0253(9) Uani 1 1 d . . . . .
C12 C 0.3256(3) -0.0555(3) 0.5027(2) 0.0222(8) Uani 1 1 d . . . . .
C16 C -0.1047(4) 0.3524(3) 0.6412(2) 0.0363(10) Uani 1 1 d . . . . .
H16 H -0.110225 0.380004 0.690939 0.044 Uiso 1 1 calc R . . . .
C11 C 0.3222(3) -0.0779(3) 0.4210(2) 0.0220(8) Uani 1 1 d . . . . .
C18 C -0.1317(4) 0.3797(3) 0.5049(2) 0.0337(10) Uani 1 1 d . . . . .
H18 H -0.153479 0.426252 0.462534 0.040 Uiso 1 1 calc R . . . .
C9 C 0.3150(4) -0.1188(3) 0.2661(2) 0.0380(11) Uani 1 1 d . . . . .
H9 H 0.310038 -0.131694 0.213001 0.046 Uiso 1 1 calc R . . . .
C7 C 0.4072(3) -0.1485(3) 0.3933(2) 0.0300(9) Uani 1 1 d . . . . .
C25 C -0.1834(4) 0.0942(3) 0.1383(2) 0.0330(10) Uani 1 1 d . . . . .
H25 H -0.191651 0.061687 0.089253 0.040 Uiso 1 1 calc R . . . .
C1 C 0.2466(3) 0.0338(3) 0.6035(2) 0.0237(8) Uani 1 1 d . . . . .
H1 H 0.188710 0.078858 0.621459 0.028 Uiso 1 1 calc R . . . .
C23 C -0.2501(3) 0.2251(3) 0.2301(2) 0.0326(10) Uani 1 1 d . . . . .
H23 H -0.302899 0.280533 0.242595 0.039 Uiso 1 1 calc R . . . .
C22 C -0.1591(3) 0.1938(3) 0.28516(19) 0.0213(8) Uani 1 1 d . . . . .
C8 C 0.4000(4) -0.1687(3) 0.3132(3) 0.0399(11) Uani 1 1 d . . . . .
H8 H 0.453723 -0.216190 0.292545 0.048 Uiso 1 1 calc R . . . .
C5 C 0.5025(3) -0.1693(3) 0.5213(3) 0.0381(11) Uani 1 1 d . . . . .
H5 H 0.563888 -0.197602 0.553972 0.046 Uiso 1 1 calc R . . . .
C24 C -0.2625(4) 0.1756(4) 0.1583(2) 0.0364(10) Uani 1 1 d . . . . .
H24 H -0.323918 0.196527 0.122874 0.044 Uiso 1 1 calc R . . . .
C6 C 0.4974(3) -0.1933(3) 0.4459(3) 0.0406(11) Uani 1 1 d . . . . .
H6 H 0.553647 -0.240012 0.427417 0.049 Uiso 1 1 calc R . . . .
C27 C -0.0014(5) -0.0484(4) 0.0989(2) 0.0539(13) Uani 1 1 d . . . . .
H27A H 0.003075 0.019320 0.067938 0.081 Uiso 1 1 calc GR . . . .
H27B H -0.068500 -0.091943 0.080342 0.081 Uiso 1 1 calc GR . . . .
H27C H 0.066855 -0.093862 0.095405 0.081 Uiso 1 1 calc GR . . . .


_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 Dy1 3.7326(3) 3_556 ?
Dy1 Cl2 2.6172(9) . ?
Dy1 O3 2.311(2) 3_556 ?
Dy1 O3 2.313(2) . ?
Dy1 O2 2.150(2) . ?
Dy1 N3 2.464(3) . ?
Dy1 N2 2.529(3) . ?
Dy1 N1 2.515(3) . ?
C10 N1 1.327(4) . ?
C10 C9 1.399(5) . ?
O3 C14 1.358(4) . ?
O2 C21 1.309(4) . ?
C14 C15 1.391(4) . ?
C14 C19 1.402(5) . ?
C15 C16 1.385(5) . ?
N3 C19 1.426(4) . ?
N3 C20 1.280(4) . ?
O1 C26 1.367(4) . ?
O1 C27 1.416(4) . ?
C4 C3 1.398(5) . ?
C4 C12 1.408(5) . ?
C4 C5 1.431(5) . ?
C19 C18 1.388(5) . ?
N2 C12 1.355(4) . ?
N2 C1 1.326(4) . ?
C3 C2 1.358(5) . ?
C2 C1 1.394(5) . ?
N1 C11 1.364(4) . ?
C17 C16 1.377(5) . ?
C17 C18 1.378(5) . ?
C20 C22 1.443(5) . ?
C21 C26 1.433(5) . ?
C21 C22 1.409(5) . ?
C26 C25 1.368(5) . ?
C12 C11 1.440(5) . ?
C11 C7 1.403(5) . ?
C9 C8 1.354(6) . ?
C7 C8 1.406(6) . ?
C7 C6 1.424(5) . ?
C25 C24 1.386(6) . ?
C23 C22 1.406(5) . ?
C23 C24 1.370(5) . ?
C5 C6 1.334(6) . ?

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
Cl2 Dy1 Dy1 136.51(2) . 3_556 ?
O3 Dy1 Dy1 36.16(5) . 3_556 ?
O3 Dy1 Dy1 36.18(5) 3_556 3_556 ?
O3 Dy1 Cl2 162.01(6) 3_556 . ?
O3 Dy1 Cl2 102.73(6) . . ?
O3 Dy1 O3 72.34(8) 3_556 . ?
O3 Dy1 N3 107.85(8) 3_556 . ?
O3 Dy1 N3 67.55(8) . . ?
O3 Dy1 N2 80.24(8) . . ?
O3 Dy1 N2 79.45(8) 3_556 . ?
O3 Dy1 N1 140.99(8) . . ?
O3 Dy1 N1 83.13(8) 3_556 . ?
O2 Dy1 Dy1 113.45(6) . 3_556 ?
O2 Dy1 Cl2 105.12(7) . . ?
O2 Dy1 O3 90.78(8) . 3_556 ?
O2 Dy1 O3 128.95(8) . . ?
O2 Dy1 N3 73.14(9) . . ?
O2 Dy1 N2 144.87(9) . . ?
O2 Dy1 N1 79.93(9) . . ?
N3 Dy1 Dy1 87.32(6) . 3_556 ?
N3 Dy1 Cl2 85.21(7) . . ?
N3 Dy1 N2 141.99(9) . . ?
N3 Dy1 N1 150.83(9) . . ?
N2 Dy1 Dy1 77.39(6) . 3_556 ?
N2 Dy1 Cl2 82.67(6) . . ?
N1 Dy1 Dy1 114.04(6) . 3_556 ?
N1 Dy1 Cl2 91.29(7) . . ?
N1 Dy1 N2 65.51(9) . . ?
N1 C10 C9 122.6(4) . . ?
Dy1 O3 Dy1 107.66(8) 3_556 . ?
C14 O3 Dy1 113.58(18) . . ?
C14 O3 Dy1 130.83(19) . 3_556 ?
C21 O2 Dy1 143.5(2) . . ?
O3 C14 C15 122.1(3) . . ?
O3 C14 C19 118.5(3) . . ?
C15 C14 C19 119.4(3) . . ?
C16 C15 C14 119.6(3) . . ?
C19 N3 Dy1 108.0(2) . . ?
C20 N3 Dy1 131.2(2) . . ?
C20 N3 C19 120.7(3) . . ?
C26 O1 C27 116.5(3) . . ?
C3 C4 C12 117.8(3) . . ?
C3 C4 C5 123.5(4) . . ?
C12 C4 C5 118.6(4) . . ?
C14 C19 N3 115.2(3) . . ?
C18 C19 C14 119.7(3) . . ?
C18 C19 N3 125.1(3) . . ?
C12 N2 Dy1 118.8(2) . . ?
C1 N2 Dy1 123.3(2) . . ?
C1 N2 C12 117.9(3) . . ?
C2 C3 C4 119.8(4) . . ?
C3 C2 C1 118.9(4) . . ?
C10 N1 Dy1 122.7(2) . . ?
C10 N1 C11 118.2(3) . . ?
C11 N1 Dy1 118.8(2) . . ?
C16 C17 C18 119.5(4) . . ?
N3 C20 C22 126.3(3) . . ?
O2 C21 C26 118.5(3) . . ?
O2 C21 C22 123.6(3) . . ?
C22 C21 C26 117.9(3) . . ?
O1 C26 C21 113.3(3) . . ?
O1 C26 C25 126.0(3) . . ?
C25 C26 C21 120.7(4) . . ?
C4 C12 C11 119.6(3) . . ?
N2 C12 C4 122.1(3) . . ?
N2 C12 C11 118.2(3) . . ?
C17 C16 C15 121.2(3) . . ?
N1 C11 C12 118.3(3) . . ?
N1 C11 C7 122.5(3) . . ?
C7 C11 C12 119.2(3) . . ?
C17 C18 C19 120.6(4) . . ?
C8 C9 C10 119.5(4) . . ?
C11 C7 C8 117.3(4) . . ?
C11 C7 C6 119.6(4) . . ?
C8 C7 C6 123.1(4) . . ?
C26 C25 C24 120.7(4) . . ?
N2 C1 C2 123.5(4) . . ?
C24 C23 C22 121.2(4) . . ?
C21 C22 C20 121.8(3) . . ?
C21 C22 C23 119.4(3) . . ?
C23 C22 C20 118.6(3) . . ?
C9 C8 C7 119.9(4) . . ?
C6 C5 C4 121.8(4) . . ?
C23 C24 C25 120.1(4) . . ?
C5 C6 C7 121.0(4) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_symmetry_cell_setting           ?
_symmetry_space_group_name_h-m   ?
_symmetry_int_tables_number      ?
_chemical_absolute_configuration ?

