# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2023

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2206854'
loop_
_audit_author_name
_audit_author_address
'Pengyan Wu'
;Jiangsu Normal University
China
;
_audit_update_record             
;
2022-09-13 deposited with the CCDC.	2023-07-28 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_THETM01_1                   
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: A full set of data was collected, however the very high angle data was dominated by noise [I/sigma(I) < 1.0] and was omitted. This arbitrary theta limit is inappropriate for highly disordered structures. It would rule out all macromolecular structures. A limit on data / parameter ratio?s that properly takes into account the number of restraints / constraints and the redundancy of the measurements would be more appropriate. Unfortunately the cifcheck routine does not do this.
;
_vrf_PLAT088_1                   
;
PROBLEM: Poor Data / Parameter Ratio ....................       5.91 Note
RESPONSE: A full set of data was collected, however the very high angle data was dominated by noise [I/sigma(I) < 1.0] and was omitted. This arbitrary theta limit is inappropriate for highly disordered structures. It would rule out all macromolecular structures. A limit on data / parameter ratio?s that properly takes into account the number of restraints / constraints and the redundancy of the measurements would be more appropriate. Unfortunately the cifcheck routine does not do this.
;
# Added during the CSD deposition process: Tuesday 13 September 2022 02:26 AM
# end Validation Reply Form


_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H26 N4 O10'
_chemical_formula_weight         530.49

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.713(2)
_cell_length_b                   10.146(2)
_cell_length_c                   14.257(3)
_cell_angle_alpha                91.183(3)
_cell_angle_beta                 104.081(3)
_cell_angle_gamma                101.059(3)
_cell_volume                     1196.8(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    1037
_cell_measurement_theta_min      2.999
_cell_measurement_theta_max      19.343

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            YELLOW
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_F_000             556
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.130
_exptl_absorpt_coefficient_mu    0.116
_shelx_estimated_absorpt_T_min   0.983
_shelx_estimated_absorpt_T_max   0.985
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.983
_exptl_absorpt_correction_T_max  0.985
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            3543
_diffrn_reflns_av_unetI/netI     0.0406
_diffrn_reflns_av_R_equivalents  0.0215
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.441
_diffrn_reflns_theta_max         19.390
_diffrn_reflns_theta_full        19.390
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             2026
_reflns_number_gt                1535
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0600P)²+0.3801P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         2026
_refine_ls_number_parameters     343
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0603
_refine_ls_R_factor_gt           0.0419
_refine_ls_wR_factor_ref         0.1106
_refine_ls_wR_factor_gt          0.0991
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.147
_refine_ls_shift/su_max          0.000
_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_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
O1 O 1.6752(3) 1.1355(3) 0.86666(18) 0.0475(8) Uani 1 1 d D . . . .
H1B H 1.720849 1.145083 0.924628 0.071 Uiso 1 1 calc R U . . .
O2 O 0.8034(3) 1.1929(3) 0.04307(19) 0.0547(9) Uani 1 1 d . . . . .
O3 O 0.7288(4) 1.3857(3) 0.0093(2) 0.0776(11) Uani 1 1 d . . . . .
O4 O 1.7787(4) 0.9516(3) 0.8750(2) 0.0679(10) Uani 1 1 d . . . . .
O5 O 1.1044(4) 0.8154(3) 0.3757(2) 0.0716(10) Uani 1 1 d . . . . .
O6 O 0.8725(4) 0.9875(3) 0.2536(2) 0.0568(9) Uani 1 1 d . . . . .
O14 O 1.4009(3) 0.6346(3) 0.4741(2) 0.0554(9) Uani 1 1 d D . . . .
O15 O 1.5840(3) 0.6024(3) 0.60504(19) 0.0516(8) Uani 1 1 d . . . . .
H15A H 1.576237 0.532938 0.572286 0.077 Uiso 1 1 calc R U . . .
O18 O 0.6222(3) 1.6556(3) 0.2681(2) 0.0489(8) Uani 1 1 d . . . . .
O20 O 0.7552(3) 1.6462(3) 0.4200(2) 0.0501(8) Uani 1 1 d . . . . .
N1 N 1.0318(4) 1.2491(3) 0.4100(2) 0.0396(9) Uani 1 1 d . . . . .
H1A H 1.076621 1.292459 0.465408 0.048 Uiso 1 1 d R U . . .
N2 N 1.2702(4) 1.0831(3) 0.5404(2) 0.0334(8) Uani 1 1 d . . . . .
H2A H 1.277799 1.161501 0.567224 0.040 Uiso 1 1 d R U . . .
C7 C 0.7826(4) 1.4903(4) 0.3021(3) 0.0317(10) Uani 1 1 d . . . . .
C10 C 1.4871(5) 0.8035(4) 0.6026(3) 0.0324(10) Uani 1 1 d . . . . .
C12 C 1.4722(4) 1.0497(4) 0.6818(3) 0.0338(11) Uani 1 1 d . . . . .
H12A H 1.465986 1.132241 0.708606 0.041 Uiso 1 1 calc R U . . .
C15 C 1.5799(4) 0.9759(4) 0.7334(3) 0.0308(10) Uani 1 1 d . . . . .
C30 C 0.8120(5) 1.3461(4) 0.1737(3) 0.0354(11) Uani 1 1 d . . . . .
C33 C 0.7516(4) 1.4508(4) 0.2043(3) 0.0367(11) Uani 1 1 d . . . . .
H33A H 0.688962 1.495782 0.158662 0.044 Uiso 1 1 calc R U . . .
C34 C 0.9353(4) 1.3152(4) 0.3394(3) 0.0338(10) Uani 1 1 d . . . . .
C35 C 1.5860(5) 0.8527(4) 0.6923(3) 0.0361(11) Uani 1 1 d . . . . .
H35A H 1.657851 0.802552 0.725748 0.043 Uiso 1 1 calc R U . . .
C36 C 1.1592(5) 1.0495(4) 0.4559(3) 0.0319(10) Uani 1 1 d . . . . .
C39 C 1.3825(4) 0.8787(4) 0.5522(3) 0.0327(10) Uani 1 1 d . . . . .
H39A H 1.316988 0.845962 0.491260 0.039 Uiso 1 1 calc R U . . .
C40 C 0.8732(4) 1.4200(4) 0.3685(3) 0.0353(11) Uani 1 1 d . . . . .
H40A H 0.892739 1.443728 0.434330 0.042 Uiso 1 1 calc R U . . .
C46 C 0.9061(4) 1.2799(4) 0.2417(3) 0.0346(11) Uani 1 1 d . . . . .
H46A H 0.950045 1.211129 0.221460 0.041 Uiso 1 1 calc R U . . .
C50 C 1.0888(5) 0.9315(5) 0.3849(3) 0.0411(11) Uani 1 1 d . . . . .
C52 C 1.6871(5) 1.0219(5) 0.8317(3) 0.0401(11) Uani 1 1 d . . . . .
C55 C 1.3738(4) 1.0015(4) 0.5907(3) 0.0283(10) Uani 1 1 d . . . . .
C57 C 1.0560(4) 1.1254(4) 0.3986(3) 0.0318(10) Uani 1 1 d . . . . .
C58 C 0.7794(5) 1.3081(5) 0.0683(3) 0.0454(12) Uani 1 1 d . . . . .
C68 C 0.9824(5) 1.0114(4) 0.3282(3) 0.0393(11) Uani 1 1 d . . . . .
C81 C 1.4941(5) 0.6715(4) 0.5593(3) 0.0388(11) Uani 1 1 d . . . . .
C83 C 0.7153(5) 1.6061(4) 0.3327(4) 0.0369(11) Uani 1 1 d . . . . .
C71 C 1.8051(5) 0.3927(5) 0.7569(3) 0.0670(14) Uani 1 1 d . . . . .
H71C H 1.780557 0.297377 0.740735 0.100 Uiso 1 1 calc R U . . .
H71D H 1.791074 0.439274 0.698399 0.100 Uiso 1 1 calc R U . . .
H71E H 1.914895 0.419353 0.794492 0.100 Uiso 1 1 calc R U . . .
N4 N 1.6958(4) 0.4266(4) 0.8134(2) 0.0524(10) Uani 1 1 d . . . . .
H71A H 1.594335 0.399407 0.778545 0.063 Uiso 1 1 calc R U . . .
H71B H 1.707803 0.381151 0.866604 0.063 Uiso 1 1 calc R U . . .
C73 C 1.7223(7) 0.5696(5) 0.8421(4) 0.0810(16) Uani 1 1 d . . . . .
H73A H 1.647044 0.583947 0.878532 0.121 Uiso 1 1 calc R U . . .
H73B H 1.830638 0.599565 0.881275 0.121 Uiso 1 1 calc R U . . .
H73C H 1.706817 0.619487 0.785181 0.121 Uiso 1 1 calc R U . . .
C90 C 1.8886(6) -0.2261(5) 1.0897(4) 0.0829(17) Uani 1 1 d . . . . .
H90A H 2.001123 -0.195784 1.092556 0.124 Uiso 1 1 calc R U . . .
H90B H 1.877281 -0.257218 1.151302 0.124 Uiso 1 1 calc R U . . .
H90C H 1.842789 -0.298387 1.040412 0.124 Uiso 1 1 calc R U . . .
N3 N 1.8048(4) -0.1154(4) 1.0669(3) 0.0606(11) Uani 1 1 d . . . . .
H79A H 1.849686 -0.048057 1.112171 0.073 Uiso 1 1 calc R U . . .
H79B H 1.818060 -0.085805 1.010494 0.073 Uiso 1 1 calc R U . . .
C79 C 1.6342(6) -0.1515(7) 1.0611(4) 0.113(2) Uani 1 1 d . . . . .
H79C H 1.586014 -0.074530 1.045920 0.170 Uiso 1 1 calc R U . . .
H79D H 1.584253 -0.222609 1.011326 0.170 Uiso 1 1 calc R U . . .
H79E H 1.618745 -0.181440 1.122216 0.170 Uiso 1 1 calc R U . . .


_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
O1 C52 1.279(4) . ?
O1 H1B 0.8200 . ?
O2 C58 1.284(5) . ?
O3 C58 1.226(5) . ?
O4 C52 1.234(4) . ?
O5 C50 1.220(4) . ?
O6 C68 1.229(4) . ?
O14 C81 1.288(5) . ?
O15 C81 1.230(4) . ?
O15 H15A 0.8200 . ?
O18 C83 1.253(4) . ?
O20 C83 1.245(5) . ?
N1 C57 1.325(5) . ?
N1 C34 1.416(4) . ?
N1 H1A 0.8597 . ?
N2 C36 1.339(5) . ?
N2 C55 1.417(4) . ?
N2 H2A 0.8598 . ?
C7 C40 1.382(5) . ?
C7 C33 1.388(5) . ?
C7 C83 1.510(5) . ?
C10 C39 1.379(5) . ?
C10 C35 1.379(5) . ?
C10 C81 1.480(5) . ?
C12 C55 1.390(5) . ?
C12 C15 1.392(5) . ?
C12 H12A 0.9300 . ?
C15 C35 1.385(5) . ?
C15 C52 1.491(5) . ?
C30 C33 1.380(5) . ?
C30 C46 1.383(5) . ?
C30 C58 1.489(5) . ?
C33 H33A 0.9300 . ?
C34 C46 1.380(5) . ?
C34 C40 1.381(5) . ?
C35 H35A 0.9300 . ?
C36 C57 1.415(5) . ?
C36 C50 1.484(6) . ?
C39 C55 1.373(5) . ?
C39 H39A 0.9300 . ?
C40 H40A 0.9300 . ?
C46 H46A 0.9300 . ?
C50 C68 1.456(6) . ?
C57 C68 1.452(6) . ?
C71 N4 1.471(5) . ?
C71 H71C 0.9600 . ?
C71 H71D 0.9600 . ?
C71 H71E 0.9600 . ?
N4 C73 1.458(5) . ?
N4 H71A 0.8900 . ?
N4 H71B 0.8900 . ?
C73 H73A 0.9600 . ?
C73 H73B 0.9600 . ?
C73 H73C 0.9600 . ?
C90 N3 1.454(5) . ?
C90 H90A 0.9600 . ?
C90 H90B 0.9600 . ?
C90 H90C 0.9600 . ?
N3 C79 1.443(6) . ?
N3 H79A 0.8900 . ?
N3 H79B 0.8900 . ?
C79 H79C 0.9600 . ?
C79 H79D 0.9600 . ?
C79 H79E 0.9600 . ?

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
C52 O1 H1B 109.5 . . ?
C81 O15 H15A 109.5 . . ?
C57 N1 C34 125.5(3) . . ?
C57 N1 H1A 117.5 . . ?
C34 N1 H1A 117.0 . . ?
C36 N2 C55 126.6(3) . . ?
C36 N2 H2A 116.4 . . ?
C55 N2 H2A 117.0 . . ?
C40 C7 C33 118.2(4) . . ?
C40 C7 C83 122.2(4) . . ?
C33 C7 C83 119.7(4) . . ?
C39 C10 C35 119.6(4) . . ?
C39 C10 C81 119.8(4) . . ?
C35 C10 C81 120.6(4) . . ?
C55 C12 C15 120.8(4) . . ?
C55 C12 H12A 119.6 . . ?
C15 C12 H12A 119.6 . . ?
C35 C15 C12 118.6(4) . . ?
C35 C15 C52 118.2(4) . . ?
C12 C15 C52 123.2(4) . . ?
C33 C30 C46 119.3(4) . . ?
C33 C30 C58 119.9(4) . . ?
C46 C30 C58 120.8(4) . . ?
C30 C33 C7 121.2(4) . . ?
C30 C33 H33A 119.4 . . ?
C7 C33 H33A 119.4 . . ?
C46 C34 C40 119.2(4) . . ?
C46 C34 N1 121.3(4) . . ?
C40 C34 N1 119.4(4) . . ?
C10 C35 C15 120.9(4) . . ?
C10 C35 H35A 119.5 . . ?
C15 C35 H35A 119.5 . . ?
N2 C36 C57 130.6(4) . . ?
N2 C36 C50 139.2(4) . . ?
C57 C36 C50 90.2(3) . . ?
C55 C39 C10 120.9(4) . . ?
C55 C39 H39A 119.5 . . ?
C10 C39 H39A 119.5 . . ?
C34 C40 C7 121.5(4) . . ?
C34 C40 H40A 119.2 . . ?
C7 C40 H40A 119.2 . . ?
C34 C46 C30 120.5(4) . . ?
C34 C46 H46A 119.8 . . ?
C30 C46 H46A 119.8 . . ?
O5 C50 C68 133.7(4) . . ?
O5 C50 C36 137.7(4) . . ?
C68 C50 C36 88.6(3) . . ?
O4 C52 O1 123.7(4) . . ?
O4 C52 C15 120.6(4) . . ?
O1 C52 C15 115.7(4) . . ?
C39 C55 C12 119.1(3) . . ?
C39 C55 N2 122.6(4) . . ?
C12 C55 N2 118.2(4) . . ?
N1 C57 C36 133.2(4) . . ?
N1 C57 C68 135.3(4) . . ?
C36 C57 C68 91.4(3) . . ?
O3 C58 O2 122.7(4) . . ?
O3 C58 C30 119.4(4) . . ?
O2 C58 C30 117.9(4) . . ?
O6 C68 C57 136.2(4) . . ?
O6 C68 C50 133.9(4) . . ?
C57 C68 C50 89.8(3) . . ?
O15 C81 O14 123.3(4) . . ?
O15 C81 C10 120.0(4) . . ?
O14 C81 C10 116.7(4) . . ?
O20 C83 O18 124.1(4) . . ?
O20 C83 C7 118.3(4) . . ?
O18 C83 C7 117.6(4) . . ?
N4 C71 H71C 109.5 . . ?
N4 C71 H71D 109.5 . . ?
H71C C71 H71D 109.5 . . ?
N4 C71 H71E 109.5 . . ?
H71C C71 H71E 109.5 . . ?
H71D C71 H71E 109.5 . . ?
C73 N4 C71 114.2(4) . . ?
C73 N4 H71A 108.7 . . ?
C71 N4 H71A 108.7 . . ?
C73 N4 H71B 108.7 . . ?
C71 N4 H71B 108.7 . . ?
H71A N4 H71B 107.6 . . ?
N4 C73 H73A 109.5 . . ?
N4 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
N4 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
N3 C90 H90A 109.5 . . ?
N3 C90 H90B 109.5 . . ?
H90A C90 H90B 109.5 . . ?
N3 C90 H90C 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C79 N3 C90 113.5(4) . . ?
C79 N3 H79A 108.9 . . ?
C90 N3 H79A 108.9 . . ?
C79 N3 H79B 108.9 . . ?
C90 N3 H79B 108.9 . . ?
H79A N3 H79B 107.7 . . ?
N3 C79 H79C 109.5 . . ?
N3 C79 H79D 109.5 . . ?
H79C C79 H79D 109.5 . . ?
N3 C79 H79E 109.5 . . ?
H79C C79 H79E 109.5 . . ?
H79D C79 H79E 109.5 . . ?

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
C55 C12 C15 C35 -0.5(5) . . . . ?
C55 C12 C15 C52 -179.4(4) . . . . ?
C46 C30 C33 C7 -0.5(6) . . . . ?
C58 C30 C33 C7 -178.7(4) . . . . ?
C40 C7 C33 C30 -1.3(5) . . . . ?
C83 C7 C33 C30 179.6(3) . . . . ?
C57 N1 C34 C46 -24.9(6) . . . . ?
C57 N1 C34 C40 157.1(4) . . . . ?
C39 C10 C35 C15 1.1(6) . . . . ?
C81 C10 C35 C15 -179.9(4) . . . . ?
C12 C15 C35 C10 -0.4(6) . . . . ?
C52 C15 C35 C10 178.5(3) . . . . ?
C55 N2 C36 C57 -177.0(4) . . . . ?
C55 N2 C36 C50 4.0(7) . . . . ?
C35 C10 C39 C55 -0.9(6) . . . . ?
C81 C10 C39 C55 -179.9(3) . . . . ?
C46 C34 C40 C7 -0.1(6) . . . . ?
N1 C34 C40 C7 178.0(3) . . . . ?
C33 C7 C40 C34 1.6(6) . . . . ?
C83 C7 C40 C34 -179.3(3) . . . . ?
C40 C34 C46 C30 -1.8(6) . . . . ?
N1 C34 C46 C30 -179.8(3) . . . . ?
C33 C30 C46 C34 2.0(6) . . . . ?
C58 C30 C46 C34 -179.7(3) . . . . ?
N2 C36 C50 O5 0.6(9) . . . . ?
C57 C36 C50 O5 -178.7(5) . . . . ?
N2 C36 C50 C68 178.5(5) . . . . ?
C57 C36 C50 C68 -0.8(3) . . . . ?
C35 C15 C52 O4 0.0(6) . . . . ?
C12 C15 C52 O4 178.8(4) . . . . ?
C35 C15 C52 O1 -179.2(3) . . . . ?
C12 C15 C52 O1 -0.3(6) . . . . ?
C10 C39 C55 C12 0.0(5) . . . . ?
C10 C39 C55 N2 178.7(3) . . . . ?
C15 C12 C55 C39 0.7(5) . . . . ?
C15 C12 C55 N2 -178.1(3) . . . . ?
C36 N2 C55 C39 6.6(5) . . . . ?
C36 N2 C55 C12 -174.7(3) . . . . ?
C34 N1 C57 C36 172.3(4) . . . . ?
C34 N1 C57 C68 -12.9(7) . . . . ?
N2 C36 C57 N1 -2.3(7) . . . . ?
C50 C36 C57 N1 177.1(4) . . . . ?
N2 C36 C57 C68 -178.6(4) . . . . ?
C50 C36 C57 C68 0.8(3) . . . . ?
C33 C30 C58 O3 14.9(6) . . . . ?
C46 C30 C58 O3 -163.4(4) . . . . ?
C33 C30 C58 O2 -163.9(4) . . . . ?
C46 C30 C58 O2 17.9(6) . . . . ?
N1 C57 C68 O6 0.5(8) . . . . ?
C36 C57 C68 O6 176.7(5) . . . . ?
N1 C57 C68 C50 -177.0(4) . . . . ?
C36 C57 C68 C50 -0.8(3) . . . . ?
O5 C50 C68 O6 1.2(8) . . . . ?
C36 C50 C68 O6 -176.8(5) . . . . ?
O5 C50 C68 C57 178.8(5) . . . . ?
C36 C50 C68 C57 0.8(3) . . . . ?
C39 C10 C81 O15 -178.0(4) . . . . ?
C35 C10 C81 O15 2.9(6) . . . . ?
C39 C10 C81 O14 0.9(5) . . . . ?
C35 C10 C81 O14 -178.1(4) . . . . ?
C40 C7 C83 O20 6.4(5) . . . . ?
C33 C7 C83 O20 -174.5(3) . . . . ?
C40 C7 C83 O18 -173.5(4) . . . . ?
C33 C7 C83 O18 5.6(5) . . . . ?

_refine_diff_density_max         0.165
_refine_diff_density_min         -0.229
_refine_diff_density_rms         0.038

