# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 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_x_box_autored
_database_code_depnum_ccdc_archive 'CCDC 2286415'
loop_
_audit_author_name
_audit_author_address
'Darshan S Mhatre'
;IIT Bombay
India
;
_audit_update_record             
;
2023-08-03 deposited with the CCDC.	2023-10-10 downloaded from the CCDC.
;
_audit_creation_date             2021-10-08
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '4(F6 P), C48 H40 N4, 2(C15 H12), 2(C2 H3 N)'
_chemical_formula_sum            'C82 H70 F24 N6 P4'
_chemical_formula_weight         1719.32
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C41 H32 F12 N3 P2'
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'
F F 0.0171 0.0103 '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'
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.3744(5)
_cell_length_b                   16.8795(5)
_cell_length_c                   19.4847(8)
_cell_angle_alpha                66.889(3)
_cell_angle_beta                 79.115(3)
_cell_angle_gamma                85.113(3)
_cell_volume                     3675.6(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6933
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      22.1740
_cell_measurement_theta_min      1.9860
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.217
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.64162
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1760
_exptl_crystal_size_max          0.246
_exptl_crystal_size_mid          0.126
_exptl_crystal_size_min          0.027
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1403
_diffrn_reflns_av_unetI/netI     0.0665
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            159688
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.676
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  φ   -349.73   9.27   1.00    4.00   6.61  -9.84 -31.50    --   359
  2  ω    -60.89   0.11   1.00    4.00    --  -14.77  94.56 -34.84   61
  3  ω    -65.46  -0.46   1.00    4.00    --  -19.34  94.56 145.16   65
  4  ω   -100.81  15.19   1.00    4.00    --   -9.84 -59.25 -51.92  116
  5  ω    -65.46  -0.46   1.00    4.00    --  -19.34  94.56  73.16   65
  6  φ    -10.27 348.73   1.00    4.00  81.02  -9.84  31.50    --   359
  7  ω    -65.46  -0.46   1.00    4.00    --  -19.34  94.56   1.16   65
  8  ω   -100.81  15.19   1.00    4.00    --   -9.84 -59.25 164.08  116
  9  φ   -339.82  19.18   1.00    4.00  15.81  -9.84 -59.25    --   359
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'Saxi-CrysAlisPro-abstract goniometer imported SAXI images'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0020736000
_diffrn_orient_matrix_UB_12      -0.0089003000
_diffrn_orient_matrix_UB_13      0.0384630000
_diffrn_orient_matrix_UB_21      -0.0545266000
_diffrn_orient_matrix_UB_22      -0.0157041000
_diffrn_orient_matrix_UB_23      0.0105474000
_diffrn_orient_matrix_UB_31      0.0207393000
_diffrn_orient_matrix_UB_32      -0.0419747000
_diffrn_orient_matrix_UB_33      0.0047169000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7727
_reflns_number_total             12931
_reflns_odcompleteness_completeness 80.19
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     36.87
_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       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.864
_refine_diff_density_min         -0.496
_refine_diff_density_rms         0.066
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1049
_refine_ls_number_reflns         12931
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1144
_refine_ls_R_factor_gt           0.0622
_refine_ls_restrained_S_all      1.039
_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)+(0.0984P)²+0.6235P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1606
_refine_ls_wR_factor_ref         0.1917
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C13(H13A,H13B), C41(H41A,H41B), C48(H48A,H48B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C8(H8), C9(H9), C11(H11), C12(H12), C14(H14),
 C15(H15), C17(H17), C18(H18), C20(H20), C21(H21), C23(H23), C24(H24), C26(H26),
  C27(H27), C29(H29), C30(H30), C32(H32), C33(H33), C34(H34), C35(H35),
 C37(H37), C38(H38), C39(H39), C40(H40), C43(H43), C44(H44), C46(H46), C47(H47),
  C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C11(H11), C12(H12), C13(H13),
 C14(H14), C2(H2), C3(H3), C4(H4), C5(H5), C7(H7), C11(H11), C12(H12), C13(H13),
  C14(H14)
2.c Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C15(H15A,H15B,H15C), C1(H1A,H1B,H1C), C1(H1A,H1B,H1C)
;
_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
P1_1 P 1.15136(9) 0.17944(6) 0.22734(6) 0.0380(3) Uani 1 1 d . . . . .
F1_1 F 1.27412(19) 0.19488(15) 0.23415(16) 0.0622(7) Uani 1 1 d . . . . .
F2_1 F 1.0291(2) 0.16440(16) 0.22201(15) 0.0650(7) Uani 1 1 d . . . . .
F3_1 F 1.1956(2) 0.10437(15) 0.19931(15) 0.0678(8) Uani 1 1 d . . . . .
F4_1 F 1.1095(2) 0.25527(14) 0.25506(14) 0.0582(7) Uani 1 1 d . . . . .
F5_1 F 1.1690(2) 0.24601(16) 0.14169(14) 0.0682(8) Uani 1 1 d . . . . .
F6_1 F 1.1345(2) 0.11206(15) 0.31283(13) 0.0672(8) Uani 1 1 d . . . . .
P1_2 P 0.37608(9) 0.33982(6) 0.76009(6) 0.0403(3) Uani 1 1 d . . . . .
F1_2 F 0.3871(2) 0.39451(15) 0.67114(14) 0.0699(8) Uani 1 1 d . . . . .
F2_2 F 0.5005(2) 0.35882(19) 0.75641(19) 0.0825(9) Uani 1 1 d . . . . .
F3_2 F 0.3634(3) 0.28536(17) 0.84836(14) 0.0761(9) Uani 1 1 d . . . . .
F4_2 F 0.3374(2) 0.42356(15) 0.77652(15) 0.0681(8) Uani 1 1 d . . . . .
F5_2 F 0.41306(19) 0.25532(13) 0.74391(13) 0.0501(6) Uani 1 1 d . . . . .
F6_2 F 0.25150(19) 0.32018(16) 0.76179(15) 0.0624(7) Uani 1 1 d . . . . .
P1_3 P 0.35318(9) 0.52033(7) 0.10858(6) 0.0403(3) Uani 1 1 d . . . . .
F1_3 F 0.4359(2) 0.44178(16) 0.13470(16) 0.0734(8) Uani 1 1 d . . . . .
F2_3 F 0.41044(19) 0.54637(15) 0.02276(13) 0.0549(7) Uani 1 1 d . . . . .
F3_3 F 0.2918(2) 0.49732(14) 0.19349(12) 0.0539(6) Uani 1 1 d . . . . .
F4_3 F 0.43408(19) 0.58121(16) 0.11972(14) 0.0599(7) Uani 1 1 d . . . . .
F5_3 F 0.2703(2) 0.46005(14) 0.09801(14) 0.0561(7) Uani 1 1 d . . . . .
F6_3 F 0.26824(18) 0.60028(13) 0.08282(12) 0.0453(6) Uani 1 1 d . . . . .
P1_4 P 1.11373(10) 0.01657(7) 0.86462(6) 0.0476(3) Uani 1 1 d . . . . .
F1_4 F 1.0144(2) 0.04113(17) 0.91757(14) 0.0708(8) Uani 1 1 d . . . . .
F2_4 F 1.0337(3) 0.0006(3) 0.8201(2) 0.1474(18) Uani 1 1 d . . . . .
F3_4 F 1.1068(4) -0.0789(2) 0.9181(2) 0.155(2) Uani 1 1 d . . . . .
F4_4 F 1.1981(3) 0.0349(3) 0.9065(2) 0.1387(18) Uani 1 1 d . . . . .
F5_4 F 1.1216(3) 0.11402(17) 0.80900(18) 0.1029(12) Uani 1 1 d . . . . .
F6_4 F 1.2118(2) -0.00444(17) 0.80832(16) 0.0757(9) Uani 1 1 d . . . . .
N1_5 N 0.4811(2) -0.00489(17) 0.79640(16) 0.0286(7) Uani 1 1 d . . . . .
N2_5 N 0.7982(2) 0.24993(18) 0.84232(16) 0.0309(7) Uani 1 1 d . . . . .
N3_5 N 0.7045(3) 0.24119(18) 0.16036(16) 0.0320(7) Uani 1 1 d . . . . .
N4_5 N 1.0044(2) 0.50942(17) 0.20449(16) 0.0298(7) Uani 1 1 d . . . . .
C1_5 C 0.5329(3) 0.0270(2) 0.89839(19) 0.0289(8) Uani 1 1 d . . . . .
C2_5 C 0.4923(3) 0.1034(2) 0.90544(19) 0.0331(9) Uani 1 1 d . . . . .
H2_5 H 0.417255 0.119199 0.902684 0.040 Uiso 1 1 calc R U . . .
C3_5 C 0.5605(3) 0.1564(2) 0.91643(19) 0.0321(9) Uani 1 1 d . . . . .
H3_5 H 0.532072 0.208592 0.920901 0.039 Uiso 1 1 calc R U . . .
C4_5 C 0.6704(3) 0.1342(2) 0.92099(18) 0.0311(9) Uani 1 1 d . . . . .
C5_5 C 0.7095(3) 0.0561(2) 0.9170(2) 0.0353(9) Uani 1 1 d . . . . .
H5_5 H 0.783742 0.039070 0.922082 0.042 Uiso 1 1 calc R U . . .
C6_5 C 0.6420(3) 0.0033(2) 0.90576(19) 0.0324(9) Uani 1 1 d . . . . .
H6_5 H 0.670016 -0.049760 0.902999 0.039 Uiso 1 1 calc R U . . .
C7_5 C 0.4614(3) -0.0265(2) 0.87986(19) 0.0330(9) Uani 1 1 d . . . . .
H7A_5 H 0.477701 -0.088305 0.906818 0.040 Uiso 1 1 calc R U . . .
H7B_5 H 0.383073 -0.015576 0.897025 0.040 Uiso 1 1 calc R U . . .
C8_5 C 0.5522(3) -0.0513(2) 0.7659(2) 0.0328(9) Uani 1 1 d . . . . .
H8_5 H 0.585875 -0.101318 0.798043 0.039 Uiso 1 1 calc R U . . .
C9_5 C 0.5773(3) -0.0275(2) 0.6888(2) 0.0327(9) Uani 1 1 d . . . . .
H9_5 H 0.628746 -0.061046 0.668450 0.039 Uiso 1 1 calc R U . . .
C10_5 C 0.5287(3) 0.0445(2) 0.6402(2) 0.0273(8) Uani 1 1 d . . . . .
C11_5 C 0.4534(3) 0.0898(2) 0.6743(2) 0.0378(10) Uani 1 1 d . . . . .
H11_5 H 0.416445 0.138890 0.643627 0.045 Uiso 1 1 calc R U . . .
C12_5 C 0.4320(3) 0.0651(2) 0.7508(2) 0.0393(10) Uani 1 1 d . . . . .
H12_5 H 0.381288 0.097874 0.772506 0.047 Uiso 1 1 calc R U . . .
C13_5 C 0.7484(3) 0.1973(2) 0.9225(2) 0.0356(9) Uani 1 1 d . . . . .
H13A_5 H 0.708234 0.235242 0.946931 0.043 Uiso 1 1 calc R U . . .
H13B_5 H 0.806864 0.165974 0.951678 0.043 Uiso 1 1 calc R U . . .
C14_5 C 0.7404(3) 0.3175(2) 0.8003(2) 0.0331(9) Uani 1 1 d . . . . .
H14_5 H 0.675038 0.336683 0.823929 0.040 Uiso 1 1 calc R U . . .
C15_5 C 0.7751(3) 0.3582(2) 0.7246(2) 0.0294(8) Uani 1 1 d . . . . .
H15_5 H 0.734176 0.406014 0.695858 0.035 Uiso 1 1 calc R U . . .
C16_5 C 0.8708(3) 0.3303(2) 0.68834(19) 0.0273(8) Uani 1 1 d . . . . .
C17_5 C 0.9309(3) 0.2638(2) 0.7347(2) 0.0336(9) Uani 1 1 d . . . . .
H17_5 H 0.998913 0.245623 0.713158 0.040 Uiso 1 1 calc R U . . .
C18_5 C 0.8933(3) 0.2245(2) 0.8105(2) 0.0342(9) Uani 1 1 d . . . . .
H18_5 H 0.934854 0.178731 0.841069 0.041 Uiso 1 1 calc R U . . .
C19_5 C 0.5554(3) 0.0733(2) 0.55689(19) 0.0260(8) Uani 1 1 d . . . . .
C20_5 C 0.6171(3) 0.0214(2) 0.52195(19) 0.0278(8) Uani 1 1 d . . . . .
H20_5 H 0.642695 -0.033650 0.552189 0.033 Uiso 1 1 calc R U . . .
C21_5 C 0.6408(3) 0.0497(2) 0.4441(2) 0.0297(8) Uani 1 1 d . . . . .
H21_5 H 0.683073 0.013680 0.421730 0.036 Uiso 1 1 calc R U . . .
C22_5 C 0.6045(3) 0.1295(2) 0.39764(19) 0.0258(8) Uani 1 1 d . . . . .
C23_5 C 0.5427(3) 0.1810(2) 0.4327(2) 0.0294(8) Uani 1 1 d . . . . .
H23_5 H 0.516578 0.235866 0.402335 0.035 Uiso 1 1 calc R U . . .
C24_5 C 0.5192(3) 0.1537(2) 0.5103(2) 0.0290(8) Uani 1 1 d . . . . .
H24_5 H 0.477698 0.190195 0.532567 0.035 Uiso 1 1 calc R U . . .
C25_5 C 0.9006(3) 0.3658(2) 0.60484(19) 0.0255(8) Uani 1 1 d . . . . .
C26_5 C 0.8619(3) 0.4459(2) 0.5601(2) 0.0287(8) Uani 1 1 d . . . . .
H26_5 H 0.819723 0.480905 0.583676 0.034 Uiso 1 1 calc R U . . .
C27_5 C 0.8839(3) 0.4756(2) 0.4818(2) 0.0276(8) Uani 1 1 d . . . . .
H27_5 H 0.856522 0.530471 0.452563 0.033 Uiso 1 1 calc R U . . .
C28_5 C 0.9458(3) 0.4258(2) 0.44503(19) 0.0259(8) Uani 1 1 d . . . . .
C29_5 C 0.9855(3) 0.3456(2) 0.4903(2) 0.0287(8) Uani 1 1 d . . . . .
H29_5 H 1.028309 0.310561 0.467050 0.034 Uiso 1 1 calc R U . . .
C30_5 C 0.9634(3) 0.3169(2) 0.56807(19) 0.0273(8) Uani 1 1 d . . . . .
H30_5 H 0.991627 0.262475 0.597409 0.033 Uiso 1 1 calc R U . . .
C31_5 C 0.6336(3) 0.1629(2) 0.3148(2) 0.0283(8) Uani 1 1 d . . . . .
C32_5 C 0.7288(3) 0.1352(2) 0.2788(2) 0.0321(9) Uani 1 1 d . . . . .
H32_5 H 0.770416 0.087958 0.307504 0.039 Uiso 1 1 calc R U . . .
C33_5 C 0.7627(3) 0.1756(2) 0.2022(2) 0.0362(9) Uani 1 1 d . . . . .
H33_5 H 0.828374 0.156832 0.178626 0.043 Uiso 1 1 calc R U . . .
C34_5 C 0.6088(3) 0.2660(2) 0.1923(2) 0.0362(9) Uani 1 1 d . . . . .
H34_5 H 0.566145 0.310643 0.161528 0.043 Uiso 1 1 calc R U . . .
C35_5 C 0.5721(3) 0.2281(2) 0.2681(2) 0.0341(9) Uani 1 1 d . . . . .
H35_5 H 0.503837 0.246166 0.289448 0.041 Uiso 1 1 calc R U . . .
C36_5 C 0.9678(3) 0.4558(2) 0.36165(19) 0.0255(8) Uani 1 1 d . . . . .
C37_5 C 0.9131(3) 0.5270(2) 0.3153(2) 0.0339(9) Uani 1 1 d . . . . .
H37_5 H 0.860999 0.558316 0.337744 0.041 Uiso 1 1 calc R U . . .
C38_5 C 0.9331(3) 0.5522(2) 0.2387(2) 0.0340(9) Uani 1 1 d . . . . .
H38_5 H 0.895593 0.601374 0.208689 0.041 Uiso 1 1 calc R U . . .
C39_5 C 1.0597(3) 0.4411(2) 0.2470(2) 0.0376(9) Uani 1 1 d . . . . .
H39_5 H 1.110970 0.410930 0.222984 0.045 Uiso 1 1 calc R U . . .
C40_5 C 1.0435(3) 0.4143(2) 0.3241(2) 0.0342(9) Uani 1 1 d . . . . .
H40_5 H 1.084630 0.366479 0.352542 0.041 Uiso 1 1 calc R U . . .
C41_5 C 0.7535(3) 0.2943(2) 0.0803(2) 0.0395(10) Uani 1 1 d . . . . .
H41A_5 H 0.694495 0.322457 0.050526 0.047 Uiso 1 1 calc R U . . .
H41B_5 H 0.798023 0.257282 0.056544 0.047 Uiso 1 1 calc R U . . .
C42_5 C 0.8249(3) 0.3611(2) 0.08180(19) 0.0348(9) Uani 1 1 d . . . . .
C43_5 C 0.9366(3) 0.3458(2) 0.08340(19) 0.0340(9) Uani 1 1 d . . . . .
H43_5 H 0.970025 0.295665 0.077346 0.041 Uiso 1 1 calc R U . . .
C44_5 C 0.9998(3) 0.4028(2) 0.0937(2) 0.0343(9) Uani 1 1 d . . . . .
H44_5 H 1.076348 0.391984 0.093821 0.041 Uiso 1 1 calc R U . . .
C45_5 C 0.9516(3) 0.4755(2) 0.10380(18) 0.0291(8) Uani 1 1 d . . . . .
C46_5 C 0.8404(3) 0.4926(2) 0.0996(2) 0.0348(9) Uani 1 1 d . . . . .
H46_5 H 0.807413 0.543331 0.104697 0.042 Uiso 1 1 calc R U . . .
C47_5 C 0.7779(3) 0.4366(2) 0.0883(2) 0.0365(9) Uani 1 1 d . . . . .
H47_5 H 0.702359 0.449382 0.084841 0.044 Uiso 1 1 calc R U . . .
C48_5 C 1.0184(3) 0.5337(2) 0.12112(19) 0.0347(9) Uani 1 1 d . . . . .
H48A_5 H 1.097096 0.528901 0.100536 0.042 Uiso 1 1 calc R U . . .
H48B_5 H 0.994285 0.594190 0.096582 0.042 Uiso 1 1 calc R U . . .
C1_6 C 1.1883(3) 0.1711(2) 0.5582(2) 0.0300(9) Uani 1 1 d . . . . .
C2_6 C 1.1822(3) 0.1566(2) 0.4913(2) 0.0327(9) Uani 1 1 d . . . . .
C3_6 C 1.1271(3) 0.0830(2) 0.4984(2) 0.0364(9) Uani 1 1 d . . . . .
H3_6 H 1.123732 0.073164 0.454065 0.044 Uiso 1 1 calc R U . . .
C4_6 C 1.0792(3) 0.0263(2) 0.5663(2) 0.0392(10) Uani 1 1 d . . . . .
H4_6 H 1.043089 -0.022744 0.569381 0.047 Uiso 1 1 calc R U . . .
C5_6 C 1.0830(3) 0.0405(2) 0.6332(2) 0.0392(10) Uani 1 1 d . . . . .
H5_6 H 1.047722 0.001541 0.680867 0.047 Uiso 1 1 calc R U . . .
C6_6 C 1.1371(3) 0.1098(2) 0.6289(2) 0.0345(9) Uani 1 1 d . . . . .
H6_6 H 1.140703 0.117415 0.674195 0.041 Uiso 1 1 calc R U . . .
C7_6 C 1.2302(3) 0.2152(2) 0.4204(2) 0.0331(9) Uani 1 1 d . . . . .
H7_6 H 1.225812 0.205257 0.376248 0.040 Uiso 1 1 calc R U . . .
C8_6 C 1.2846(3) 0.2879(2) 0.4132(2) 0.0346(9) Uani 1 1 d . . . . .
C9_6 C 1.2888(3) 0.3031(2) 0.4798(2) 0.0324(9) Uani 1 1 d . . . . .
C10_6 C 1.2415(3) 0.2451(2) 0.5516(2) 0.0316(9) Uani 1 1 d . . . . .
C11_6 C 1.3356(3) 0.3466(2) 0.3412(2) 0.0400(10) Uani 1 1 d . . . . .
H11_6 H 1.330776 0.337155 0.296945 0.048 Uiso 1 1 calc R U . . .
C12_6 C 1.3906(3) 0.4156(2) 0.3349(2) 0.0429(10) Uani 1 1 d . . . . .
H12_6 H 1.425881 0.453158 0.286583 0.051 Uiso 1 1 calc R U . . .
C13_6 C 1.3960(3) 0.4320(2) 0.3994(3) 0.0457(11) Uani 1 1 d . . . . .
H13_6 H 1.434461 0.480940 0.394344 0.055 Uiso 1 1 calc R U . . .
C14_6 C 1.3465(3) 0.3782(2) 0.4696(2) 0.0359(9) Uani 1 1 d . . . . .
H14_6 H 1.350338 0.390877 0.512429 0.043 Uiso 1 1 calc R U . . .
C15_6 C 1.2450(3) 0.2644(2) 0.6204(2) 0.0410(10) Uani 1 1 d . . . . .
H15A_6 H 1.191669 0.310354 0.621881 0.061 Uiso 1 1 calc R U . . .
H15B_6 H 1.319028 0.282982 0.617865 0.061 Uiso 1 1 calc R U . . .
H15C_6 H 1.226467 0.212449 0.666202 0.061 Uiso 1 1 calc R U . . .
C1_7 C 0.7278(3) 0.3150(2) 0.4376(2) 0.0309(9) Uani 1 1 d . . . . .
C2_7 C 0.7020(3) 0.3794(2) 0.3692(2) 0.0372(9) Uani 1 1 d . . . . .
H2_7 H 0.651920 0.424465 0.371639 0.045 Uiso 1 1 calc R U . . .
C3_7 C 0.7471(3) 0.3779(2) 0.3004(2) 0.0426(10) Uani 1 1 d . . . . .
H3_7 H 0.726614 0.420881 0.255738 0.051 Uiso 1 1 calc R U . . .
C4_7 C 0.8241(4) 0.3131(2) 0.2947(2) 0.0441(10) Uani 1 1 d . . . . .
H4_7 H 0.857336 0.313838 0.246341 0.053 Uiso 1 1 calc R U . . .
C5_7 C 0.8504(3) 0.2500(2) 0.3582(2) 0.0385(10) Uani 1 1 d . . . . .
H5_7 H 0.902062 0.206589 0.353781 0.046 Uiso 1 1 calc R U . . .
C6_7 C 0.8024(3) 0.2472(2) 0.4313(2) 0.0300(8) Uani 1 1 d . . . . .
C7_7 C 0.8271(3) 0.1809(2) 0.4970(2) 0.0325(9) Uani 1 1 d . . . . .
H7_7 H 0.877427 0.136741 0.492481 0.039 Uiso 1 1 calc R U . . .
C8_7 C 0.7803(3) 0.1776(2) 0.5686(2) 0.0306(8) Uani 1 1 d . . . . .
C9_7 C 0.7068(3) 0.2453(2) 0.5755(2) 0.0291(8) Uani 1 1 d . . . . .
C10_7 C 0.6828(3) 0.3145(2) 0.5103(2) 0.0302(8) Uani 1 1 d . . . . .
C11_7 C 0.8055(3) 0.1094(2) 0.6354(2) 0.0376(9) Uani 1 1 d . . . . .
H11_7 H 0.854548 0.064579 0.630986 0.045 Uiso 1 1 calc R U . . .
C12_7 C 0.7609(3) 0.1075(2) 0.7049(2) 0.0420(10) Uani 1 1 d . . . . .
H12_7 H 0.779872 0.062054 0.748657 0.050 Uiso 1 1 calc R U . . .
C13_7 C 0.6864(3) 0.1725(2) 0.7127(2) 0.0401(10) Uani 1 1 d . . . . .
H13_7 H 0.654168 0.170008 0.761805 0.048 Uiso 1 1 calc R U . . .
C14_7 C 0.6604(3) 0.2385(2) 0.6506(2) 0.0355(9) Uani 1 1 d . . . . .
H14_7 H 0.609811 0.281573 0.657199 0.043 Uiso 1 1 calc R U . . .
C15_7 C 0.6098(3) 0.3871(2) 0.5194(2) 0.0413(10) Uani 1 1 d . . . . .
H15A_7 H 0.606672 0.432656 0.469448 0.062 Uiso 1 1 calc R U . . .
H15B_7 H 0.639782 0.410417 0.550591 0.062 Uiso 1 1 calc R U . . .
H15C_7 H 0.535598 0.365493 0.543926 0.062 Uiso 1 1 calc R U . . .
N1_8 N 0.4995(3) 0.7611(2) -0.0666(2) 0.0579(11) Uani 1 1 d . . . . .
C1_8 C 0.6421(3) 0.6525(3) 0.0015(2) 0.0490(11) Uani 1 1 d . . . . .
H1A_8 H 0.716631 0.669854 -0.026155 0.073 Uiso 1 1 calc R U . . .
H1B_8 H 0.627576 0.595102 0.004227 0.073 Uiso 1 1 calc R U . . .
H1C_8 H 0.635845 0.651146 0.052877 0.073 Uiso 1 1 calc R U . . .
C2_8 C 0.5630(4) 0.7137(3) -0.0374(2) 0.0427(10) Uani 1 1 d . . . . .
N1_9 N 0.9990(4) -0.2551(2) 1.0669(2) 0.0658(12) Uani 1 1 d . . . . .
C1_9 C 0.8520(4) -0.1551(3) 0.9975(3) 0.0674(14) Uani 1 1 d . . . . .
H1A_9 H 0.863117 -0.152509 0.945489 0.101 Uiso 1 1 calc R U . . .
H1B_9 H 0.858558 -0.097273 0.996565 0.101 Uiso 1 1 calc R U . . .
H1C_9 H 0.778559 -0.177468 1.023645 0.101 Uiso 1 1 calc R U . . .
C2_9 C 0.9339(4) -0.2112(3) 1.0368(2) 0.0473(11) 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
P1_1 F1_1 1.601(3) . ?
P1_1 F2_1 1.584(3) . ?
P1_1 F3_1 1.586(2) . ?
P1_1 F4_1 1.588(2) . ?
P1_1 F5_1 1.590(3) . ?
P1_1 F6_1 1.592(2) . ?
P1_2 F1_2 1.597(3) . ?
P1_2 F2_2 1.582(3) . ?
P1_2 F3_2 1.584(3) . ?
P1_2 F4_2 1.585(2) . ?
P1_2 F5_2 1.591(2) . ?
P1_2 F6_2 1.596(3) . ?
P1_3 F1_3 1.581(3) . ?
P1_3 F2_3 1.587(2) . ?
P1_3 F3_3 1.593(2) . ?
P1_3 F4_3 1.593(3) . ?
P1_3 F5_3 1.597(2) . ?
P1_3 F6_3 1.614(2) . ?
P1_4 F1_4 1.587(3) . ?
P1_4 F2_4 1.535(3) . ?
P1_4 F3_4 1.537(3) . ?
P1_4 F4_4 1.558(3) . ?
P1_4 F5_4 1.574(3) . ?
P1_4 F6_4 1.591(3) . ?
N1_5 C7_5 1.496(4) . ?
N1_5 C8_5 1.338(4) . ?
N1_5 C12_5 1.347(4) . ?
N2_5 C13_5 1.500(4) . ?
N2_5 C14_5 1.354(4) . ?
N2_5 C18_5 1.341(5) . ?
N3_5 C33_5 1.336(4) . ?
N3_5 C34_5 1.345(5) . ?
N3_5 C41_5 1.497(4) . ?
N4_5 C38_5 1.338(4) . ?
N4_5 C39_5 1.347(4) . ?
N4_5 C48_5 1.490(4) . ?
C1_5 C2_5 1.392(4) . ?
C1_5 C6_5 1.393(5) . ?
C1_5 C7_5 1.497(5) . ?
C2_5 H2_5 0.9500 . ?
C2_5 C3_5 1.381(5) . ?
C3_5 H3_5 0.9500 . ?
C3_5 C4_5 1.389(5) . ?
C4_5 C5_5 1.392(5) . ?
C4_5 C13_5 1.509(5) . ?
C5_5 H5_5 0.9500 . ?
C5_5 C6_5 1.374(5) . ?
C6_5 H6_5 0.9500 . ?
C7_5 H7A_5 0.9900 . ?
C7_5 H7B_5 0.9900 . ?
C8_5 H8_5 0.9500 . ?
C8_5 C9_5 1.373(5) . ?
C9_5 H9_5 0.9500 . ?
C9_5 C10_5 1.387(5) . ?
C10_5 C11_5 1.393(5) . ?
C10_5 C19_5 1.478(5) . ?
C11_5 H11_5 0.9500 . ?
C11_5 C12_5 1.358(5) . ?
C12_5 H12_5 0.9500 . ?
C13_5 H13A_5 0.9900 . ?
C13_5 H13B_5 0.9900 . ?
C14_5 H14_5 0.9500 . ?
C14_5 C15_5 1.360(5) . ?
C15_5 H15_5 0.9500 . ?
C15_5 C16_5 1.405(5) . ?
C16_5 C17_5 1.394(5) . ?
C16_5 C25_5 1.479(5) . ?
C17_5 H17_5 0.9500 . ?
C17_5 C18_5 1.366(5) . ?
C18_5 H18_5 0.9500 . ?
C19_5 C20_5 1.403(4) . ?
C19_5 C24_5 1.397(4) . ?
C20_5 H20_5 0.9500 . ?
C20_5 C21_5 1.378(5) . ?
C21_5 H21_5 0.9500 . ?
C21_5 C22_5 1.389(4) . ?
C22_5 C23_5 1.401(5) . ?
C22_5 C31_5 1.467(5) . ?
C23_5 H23_5 0.9500 . ?
C23_5 C24_5 1.376(5) . ?
C24_5 H24_5 0.9500 . ?
C25_5 C26_5 1.393(4) . ?
C25_5 C30_5 1.394(4) . ?
C26_5 H26_5 0.9500 . ?
C26_5 C27_5 1.386(5) . ?
C27_5 H27_5 0.9500 . ?
C27_5 C28_5 1.400(4) . ?
C28_5 C29_5 1.403(4) . ?
C28_5 C36_5 1.477(5) . ?
C29_5 H29_5 0.9500 . ?
C29_5 C30_5 1.376(5) . ?
C30_5 H30_5 0.9500 . ?
C31_5 C32_5 1.397(5) . ?
C31_5 C35_5 1.397(5) . ?
C32_5 H32_5 0.9500 . ?
C32_5 C33_5 1.371(5) . ?
C33_5 H33_5 0.9500 . ?
C34_5 H34_5 0.9500 . ?
C34_5 C35_5 1.360(5) . ?
C35_5 H35_5 0.9500 . ?
C36_5 C37_5 1.399(4) . ?
C36_5 C40_5 1.391(5) . ?
C37_5 H37_5 0.9500 . ?
C37_5 C38_5 1.361(5) . ?
C38_5 H38_5 0.9500 . ?
C39_5 H39_5 0.9500 . ?
C39_5 C40_5 1.367(5) . ?
C40_5 H40_5 0.9500 . ?
C41_5 H41A_5 0.9900 . ?
C41_5 H41B_5 0.9900 . ?
C41_5 C42_5 1.503(5) . ?
C42_5 C43_5 1.388(5) . ?
C42_5 C47_5 1.396(5) . ?
C43_5 H43_5 0.9500 . ?
C43_5 C44_5 1.383(5) . ?
C44_5 H44_5 0.9500 . ?
C44_5 C45_5 1.386(4) . ?
C45_5 C46_5 1.393(5) . ?
C45_5 C48_5 1.505(5) . ?
C46_5 H46_5 0.9500 . ?
C46_5 C47_5 1.376(5) . ?
C47_5 H47_5 0.9500 . ?
C48_5 H48A_5 0.9900 . ?
C48_5 H48B_5 0.9900 . ?
C1_6 C2_6 1.434(5) . ?
C1_6 C6_6 1.426(5) . ?
C1_6 C10_6 1.410(5) . ?
C2_6 C3_6 1.415(5) . ?
C2_6 C7_6 1.399(5) . ?
C3_6 H3_6 0.9500 . ?
C3_6 C4_6 1.351(5) . ?
C4_6 H4_6 0.9500 . ?
C4_6 C5_6 1.424(5) . ?
C5_6 H5_6 0.9500 . ?
C5_6 C6_6 1.364(5) . ?
C6_6 H6_6 0.9500 . ?
C7_6 H7_6 0.9500 . ?
C7_6 C8_6 1.397(5) . ?
C8_6 C9_6 1.427(5) . ?
C8_6 C11_6 1.425(5) . ?
C9_6 C10_6 1.405(5) . ?
C9_6 C14_6 1.435(5) . ?
C10_6 C15_6 1.507(5) . ?
C11_6 H11_6 0.9500 . ?
C11_6 C12_6 1.351(5) . ?
C12_6 H12_6 0.9500 . ?
C12_6 C13_6 1.403(6) . ?
C13_6 H13_6 0.9500 . ?
C13_6 C14_6 1.368(5) . ?
C14_6 H14_6 0.9500 . ?
C15_6 H15A_6 0.9800 . ?
C15_6 H15B_6 0.9800 . ?
C15_6 H15C_6 0.9800 . ?
C1_7 C2_7 1.423(5) . ?
C1_7 C6_7 1.437(5) . ?
C1_7 C10_7 1.418(5) . ?
C2_7 H2_7 0.9500 . ?
C2_7 C3_7 1.361(5) . ?
C3_7 H3_7 0.9500 . ?
C3_7 C4_7 1.412(5) . ?
C4_7 H4_7 0.9500 . ?
C4_7 C5_7 1.353(5) . ?
C5_7 H5_7 0.9500 . ?
C5_7 C6_7 1.419(5) . ?
C6_7 C7_7 1.396(5) . ?
C7_7 H7_7 0.9500 . ?
C7_7 C8_7 1.387(5) . ?
C8_7 C9_7 1.431(5) . ?
C8_7 C11_7 1.425(5) . ?
C9_7 C10_7 1.410(5) . ?
C9_7 C14_7 1.431(5) . ?
C10_7 C15_7 1.506(5) . ?
C11_7 H11_7 0.9500 . ?
C11_7 C12_7 1.351(5) . ?
C12_7 H12_7 0.9500 . ?
C12_7 C13_7 1.408(5) . ?
C13_7 H13_7 0.9500 . ?
C13_7 C14_7 1.355(5) . ?
C14_7 H14_7 0.9500 . ?
C15_7 H15A_7 0.9800 . ?
C15_7 H15B_7 0.9800 . ?
C15_7 H15C_7 0.9800 . ?
N1_8 C2_8 1.133(5) . ?
C1_8 H1A_8 0.9800 . ?
C1_8 H1B_8 0.9800 . ?
C1_8 H1C_8 0.9800 . ?
C1_8 C2_8 1.447(6) . ?
N1_9 C2_9 1.130(5) . ?
C1_9 H1A_9 0.9800 . ?
C1_9 H1B_9 0.9800 . ?
C1_9 H1C_9 0.9800 . ?
C1_9 C2_9 1.439(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
F2_1 P1_1 F1_1 178.95(15) . . ?
F2_1 P1_1 F3_1 91.06(14) . . ?
F2_1 P1_1 F4_1 90.03(14) . . ?
F2_1 P1_1 F5_1 89.97(15) . . ?
F2_1 P1_1 F6_1 90.21(15) . . ?
F3_1 P1_1 F1_1 89.74(14) . . ?
F3_1 P1_1 F4_1 178.87(16) . . ?
F3_1 P1_1 F5_1 89.32(15) . . ?
F3_1 P1_1 F6_1 90.10(14) . . ?
F4_1 P1_1 F1_1 89.17(13) . . ?
F4_1 P1_1 F5_1 90.38(14) . . ?
F4_1 P1_1 F6_1 90.20(14) . . ?
F5_1 P1_1 F1_1 90.73(15) . . ?
F5_1 P1_1 F6_1 179.39(16) . . ?
F6_1 P1_1 F1_1 89.10(15) . . ?
F2_2 P1_2 F1_2 89.90(17) . . ?
F2_2 P1_2 F3_2 90.90(17) . . ?
F2_2 P1_2 F4_2 90.79(15) . . ?
F2_2 P1_2 F5_2 90.05(14) . . ?
F2_2 P1_2 F6_2 178.48(16) . . ?
F3_2 P1_2 F1_2 179.20(18) . . ?
F3_2 P1_2 F4_2 89.57(15) . . ?
F3_2 P1_2 F5_2 90.24(13) . . ?
F3_2 P1_2 F6_2 90.21(16) . . ?
F4_2 P1_2 F1_2 90.39(14) . . ?
F4_2 P1_2 F5_2 179.14(16) . . ?
F4_2 P1_2 F6_2 90.26(14) . . ?
F5_2 P1_2 F1_2 89.79(14) . . ?
F5_2 P1_2 F6_2 88.90(13) . . ?
F6_2 P1_2 F1_2 89.00(15) . . ?
F1_3 P1_3 F2_3 91.08(14) . . ?
F1_3 P1_3 F3_3 91.38(14) . . ?
F1_3 P1_3 F4_3 90.47(15) . . ?
F1_3 P1_3 F5_3 90.29(14) . . ?
F1_3 P1_3 F6_3 179.41(15) . . ?
F2_3 P1_3 F3_3 177.52(14) . . ?
F2_3 P1_3 F4_3 90.60(14) . . ?
F2_3 P1_3 F5_3 90.02(13) . . ?
F2_3 P1_3 F6_3 89.50(12) . . ?
F3_3 P1_3 F4_3 89.64(14) . . ?
F3_3 P1_3 F5_3 89.70(14) . . ?
F3_3 P1_3 F6_3 88.03(12) . . ?
F4_3 P1_3 F5_3 179.01(14) . . ?
F4_3 P1_3 F6_3 89.48(13) . . ?
F5_3 P1_3 F6_3 89.76(13) . . ?
F1_4 P1_4 F6_4 177.38(17) . . ?
F2_4 P1_4 F1_4 90.87(19) . . ?
F2_4 P1_4 F3_4 89.7(3) . . ?
F2_4 P1_4 F4_4 177.6(3) . . ?
F2_4 P1_4 F5_4 90.0(2) . . ?
F2_4 P1_4 F6_4 87.88(19) . . ?
F3_4 P1_4 F1_4 91.47(17) . . ?
F3_4 P1_4 F4_4 91.9(3) . . ?
F3_4 P1_4 F5_4 179.3(2) . . ?
F3_4 P1_4 F6_4 90.83(17) . . ?
F4_4 P1_4 F1_4 90.85(17) . . ?
F4_4 P1_4 F5_4 88.3(2) . . ?
F4_4 P1_4 F6_4 90.33(18) . . ?
F5_4 P1_4 F1_4 89.20(15) . . ?
F5_4 P1_4 F6_4 88.51(16) . . ?
C8_5 N1_5 C7_5 120.8(3) . . ?
C8_5 N1_5 C12_5 119.4(3) . . ?
C12_5 N1_5 C7_5 119.7(3) . . ?
C14_5 N2_5 C13_5 119.1(3) . . ?
C18_5 N2_5 C13_5 120.0(3) . . ?
C18_5 N2_5 C14_5 120.5(3) . . ?
C33_5 N3_5 C34_5 120.3(3) . . ?
C33_5 N3_5 C41_5 119.4(3) . . ?
C34_5 N3_5 C41_5 119.8(3) . . ?
C38_5 N4_5 C39_5 119.0(3) . . ?
C38_5 N4_5 C48_5 120.8(3) . . ?
C39_5 N4_5 C48_5 120.1(3) . . ?
C2_5 C1_5 C6_5 118.9(3) . . ?
C2_5 C1_5 C7_5 120.2(3) . . ?
C6_5 C1_5 C7_5 120.9(3) . . ?
C1_5 C2_5 H2_5 119.8 . . ?
C3_5 C2_5 C1_5 120.4(3) . . ?
C3_5 C2_5 H2_5 119.8 . . ?
C2_5 C3_5 H3_5 119.7 . . ?
C2_5 C3_5 C4_5 120.6(3) . . ?
C4_5 C3_5 H3_5 119.7 . . ?
C3_5 C4_5 C5_5 118.8(3) . . ?
C3_5 C4_5 C13_5 120.5(3) . . ?
C5_5 C4_5 C13_5 120.4(3) . . ?
C4_5 C5_5 H5_5 119.6 . . ?
C6_5 C5_5 C4_5 120.7(3) . . ?
C6_5 C5_5 H5_5 119.6 . . ?
C1_5 C6_5 H6_5 119.8 . . ?
C5_5 C6_5 C1_5 120.5(3) . . ?
C5_5 C6_5 H6_5 119.8 . . ?
N1_5 C7_5 C1_5 110.3(3) . . ?
N1_5 C7_5 H7A_5 109.6 . . ?
N1_5 C7_5 H7B_5 109.6 . . ?
C1_5 C7_5 H7A_5 109.6 . . ?
C1_5 C7_5 H7B_5 109.6 . . ?
H7A_5 C7_5 H7B_5 108.1 . . ?
N1_5 C8_5 H8_5 119.5 . . ?
N1_5 C8_5 C9_5 120.9(3) . . ?
C9_5 C8_5 H8_5 119.5 . . ?
C8_5 C9_5 H9_5 119.4 . . ?
C8_5 C9_5 C10_5 121.2(3) . . ?
C10_5 C9_5 H9_5 119.4 . . ?
C9_5 C10_5 C11_5 116.0(3) . . ?
C9_5 C10_5 C19_5 122.8(3) . . ?
C11_5 C10_5 C19_5 121.2(3) . . ?
C10_5 C11_5 H11_5 119.4 . . ?
C12_5 C11_5 C10_5 121.1(3) . . ?
C12_5 C11_5 H11_5 119.4 . . ?
N1_5 C12_5 C11_5 121.3(3) . . ?
N1_5 C12_5 H12_5 119.3 . . ?
C11_5 C12_5 H12_5 119.3 . . ?
N2_5 C13_5 C4_5 108.0(3) . . ?
N2_5 C13_5 H13A_5 110.1 . . ?
N2_5 C13_5 H13B_5 110.1 . . ?
C4_5 C13_5 H13A_5 110.1 . . ?
C4_5 C13_5 H13B_5 110.1 . . ?
H13A_5 C13_5 H13B_5 108.4 . . ?
N2_5 C14_5 H14_5 119.7 . . ?
N2_5 C14_5 C15_5 120.6(3) . . ?
C15_5 C14_5 H14_5 119.7 . . ?
C14_5 C15_5 H15_5 119.7 . . ?
C14_5 C15_5 C16_5 120.6(3) . . ?
C16_5 C15_5 H15_5 119.7 . . ?
C15_5 C16_5 C25_5 121.0(3) . . ?
C17_5 C16_5 C15_5 116.6(3) . . ?
C17_5 C16_5 C25_5 122.3(3) . . ?
C16_5 C17_5 H17_5 119.5 . . ?
C18_5 C17_5 C16_5 120.9(3) . . ?
C18_5 C17_5 H17_5 119.5 . . ?
N2_5 C18_5 C17_5 120.6(3) . . ?
N2_5 C18_5 H18_5 119.7 . . ?
C17_5 C18_5 H18_5 119.7 . . ?
C20_5 C19_5 C10_5 121.7(3) . . ?
C24_5 C19_5 C10_5 120.5(3) . . ?
C24_5 C19_5 C20_5 117.8(3) . . ?
C19_5 C20_5 H20_5 119.7 . . ?
C21_5 C20_5 C19_5 120.6(3) . . ?
C21_5 C20_5 H20_5 119.7 . . ?
C20_5 C21_5 H21_5 119.1 . . ?
C20_5 C21_5 C22_5 121.7(3) . . ?
C22_5 C21_5 H21_5 119.1 . . ?
C21_5 C22_5 C23_5 117.5(3) . . ?
C21_5 C22_5 C31_5 122.7(3) . . ?
C23_5 C22_5 C31_5 119.7(3) . . ?
C22_5 C23_5 H23_5 119.4 . . ?
C24_5 C23_5 C22_5 121.2(3) . . ?
C24_5 C23_5 H23_5 119.4 . . ?
C19_5 C24_5 H24_5 119.5 . . ?
C23_5 C24_5 C19_5 121.1(3) . . ?
C23_5 C24_5 H24_5 119.5 . . ?
C26_5 C25_5 C16_5 121.9(3) . . ?
C26_5 C25_5 C30_5 117.6(3) . . ?
C30_5 C25_5 C16_5 120.3(3) . . ?
C25_5 C26_5 H26_5 119.4 . . ?
C27_5 C26_5 C25_5 121.2(3) . . ?
C27_5 C26_5 H26_5 119.4 . . ?
C26_5 C27_5 H27_5 119.5 . . ?
C26_5 C27_5 C28_5 121.0(3) . . ?
C28_5 C27_5 H27_5 119.5 . . ?
C27_5 C28_5 C29_5 117.6(3) . . ?
C27_5 C28_5 C36_5 121.5(3) . . ?
C29_5 C28_5 C36_5 120.9(3) . . ?
C28_5 C29_5 H29_5 119.6 . . ?
C30_5 C29_5 C28_5 120.9(3) . . ?
C30_5 C29_5 H29_5 119.6 . . ?
C25_5 C30_5 H30_5 119.2 . . ?
C29_5 C30_5 C25_5 121.7(3) . . ?
C29_5 C30_5 H30_5 119.2 . . ?
C32_5 C31_5 C22_5 121.5(3) . . ?
C35_5 C31_5 C22_5 121.9(3) . . ?
C35_5 C31_5 C32_5 116.4(3) . . ?
C31_5 C32_5 H32_5 119.8 . . ?
C33_5 C32_5 C31_5 120.5(3) . . ?
C33_5 C32_5 H32_5 119.8 . . ?
N3_5 C33_5 C32_5 120.9(3) . . ?
N3_5 C33_5 H33_5 119.6 . . ?
C32_5 C33_5 H33_5 119.6 . . ?
N3_5 C34_5 H34_5 119.5 . . ?
N3_5 C34_5 C35_5 120.9(3) . . ?
C35_5 C34_5 H34_5 119.5 . . ?
C31_5 C35_5 H35_5 119.6 . . ?
C34_5 C35_5 C31_5 120.7(3) . . ?
C34_5 C35_5 H35_5 119.6 . . ?
C37_5 C36_5 C28_5 122.3(3) . . ?
C40_5 C36_5 C28_5 122.0(3) . . ?
C40_5 C36_5 C37_5 115.7(3) . . ?
C36_5 C37_5 H37_5 119.4 . . ?
C38_5 C37_5 C36_5 121.2(3) . . ?
C38_5 C37_5 H37_5 119.4 . . ?
N4_5 C38_5 C37_5 121.7(3) . . ?
N4_5 C38_5 H38_5 119.2 . . ?
C37_5 C38_5 H38_5 119.2 . . ?
N4_5 C39_5 H39_5 119.3 . . ?
N4_5 C39_5 C40_5 121.4(3) . . ?
C40_5 C39_5 H39_5 119.3 . . ?
C36_5 C40_5 H40_5 119.5 . . ?
C39_5 C40_5 C36_5 121.1(3) . . ?
C39_5 C40_5 H40_5 119.5 . . ?
N3_5 C41_5 H41A_5 110.1 . . ?
N3_5 C41_5 H41B_5 110.1 . . ?
N3_5 C41_5 C42_5 107.9(3) . . ?
H41A_5 C41_5 H41B_5 108.4 . . ?
C42_5 C41_5 H41A_5 110.1 . . ?
C42_5 C41_5 H41B_5 110.1 . . ?
C43_5 C42_5 C41_5 120.8(3) . . ?
C43_5 C42_5 C47_5 118.8(4) . . ?
C47_5 C42_5 C41_5 120.2(4) . . ?
C42_5 C43_5 H43_5 119.6 . . ?
C44_5 C43_5 C42_5 120.8(3) . . ?
C44_5 C43_5 H43_5 119.6 . . ?
C43_5 C44_5 H44_5 119.9 . . ?
C43_5 C44_5 C45_5 120.2(4) . . ?
C45_5 C44_5 H44_5 119.9 . . ?
C44_5 C45_5 C46_5 119.2(3) . . ?
C44_5 C45_5 C48_5 120.2(3) . . ?
C46_5 C45_5 C48_5 120.7(3) . . ?
C45_5 C46_5 H46_5 119.7 . . ?
C47_5 C46_5 C45_5 120.6(3) . . ?
C47_5 C46_5 H46_5 119.7 . . ?
C42_5 C47_5 H47_5 119.8 . . ?
C46_5 C47_5 C42_5 120.3(4) . . ?
C46_5 C47_5 H47_5 119.8 . . ?
N4_5 C48_5 C45_5 110.2(3) . . ?
N4_5 C48_5 H48A_5 109.6 . . ?
N4_5 C48_5 H48B_5 109.6 . . ?
C45_5 C48_5 H48A_5 109.6 . . ?
C45_5 C48_5 H48B_5 109.6 . . ?
H48A_5 C48_5 H48B_5 108.1 . . ?
C6_6 C1_6 C2_6 117.4(3) . . ?
C10_6 C1_6 C2_6 119.5(3) . . ?
C10_6 C1_6 C6_6 123.1(3) . . ?
C3_6 C2_6 C1_6 119.1(3) . . ?
C7_6 C2_6 C1_6 119.8(3) . . ?
C7_6 C2_6 C3_6 121.1(3) . . ?
C2_6 C3_6 H3_6 119.0 . . ?
C4_6 C3_6 C2_6 122.0(4) . . ?
C4_6 C3_6 H3_6 119.0 . . ?
C3_6 C4_6 H4_6 120.2 . . ?
C3_6 C4_6 C5_6 119.7(4) . . ?
C5_6 C4_6 H4_6 120.2 . . ?
C4_6 C5_6 H5_6 119.9 . . ?
C6_6 C5_6 C4_6 120.2(4) . . ?
C6_6 C5_6 H5_6 119.9 . . ?
C1_6 C6_6 H6_6 119.1 . . ?
C5_6 C6_6 C1_6 121.7(4) . . ?
C5_6 C6_6 H6_6 119.1 . . ?
C2_6 C7_6 H7_6 119.4 . . ?
C2_6 C7_6 C8_6 121.2(3) . . ?
C8_6 C7_6 H7_6 119.4 . . ?
C7_6 C8_6 C9_6 118.9(3) . . ?
C7_6 C8_6 C11_6 121.3(4) . . ?
C11_6 C8_6 C9_6 119.8(4) . . ?
C8_6 C9_6 C14_6 116.8(3) . . ?
C10_6 C9_6 C8_6 120.9(3) . . ?
C10_6 C9_6 C14_6 122.3(3) . . ?
C1_6 C10_6 C15_6 120.9(3) . . ?
C9_6 C10_6 C1_6 119.7(3) . . ?
C9_6 C10_6 C15_6 119.4(3) . . ?
C8_6 C11_6 H11_6 119.5 . . ?
C12_6 C11_6 C8_6 121.0(4) . . ?
C12_6 C11_6 H11_6 119.5 . . ?
C11_6 C12_6 H12_6 119.8 . . ?
C11_6 C12_6 C13_6 120.4(4) . . ?
C13_6 C12_6 H12_6 119.8 . . ?
C12_6 C13_6 H13_6 119.7 . . ?
C14_6 C13_6 C12_6 120.6(4) . . ?
C14_6 C13_6 H13_6 119.7 . . ?
C9_6 C14_6 H14_6 119.3 . . ?
C13_6 C14_6 C9_6 121.4(4) . . ?
C13_6 C14_6 H14_6 119.3 . . ?
C10_6 C15_6 H15A_6 109.5 . . ?
C10_6 C15_6 H15B_6 109.5 . . ?
C10_6 C15_6 H15C_6 109.5 . . ?
H15A_6 C15_6 H15B_6 109.5 . . ?
H15A_6 C15_6 H15C_6 109.5 . . ?
H15B_6 C15_6 H15C_6 109.5 . . ?
C2_7 C1_7 C6_7 117.3(3) . . ?
C10_7 C1_7 C2_7 123.3(3) . . ?
C10_7 C1_7 C6_7 119.5(3) . . ?
C1_7 C2_7 H2_7 119.2 . . ?
C3_7 C2_7 C1_7 121.7(4) . . ?
C3_7 C2_7 H2_7 119.2 . . ?
C2_7 C3_7 H3_7 119.7 . . ?
C2_7 C3_7 C4_7 120.5(4) . . ?
C4_7 C3_7 H3_7 119.7 . . ?
C3_7 C4_7 H4_7 120.0 . . ?
C5_7 C4_7 C3_7 119.9(4) . . ?
C5_7 C4_7 H4_7 120.0 . . ?
C4_7 C5_7 H5_7 119.3 . . ?
C4_7 C5_7 C6_7 121.5(4) . . ?
C6_7 C5_7 H5_7 119.3 . . ?
C5_7 C6_7 C1_7 119.0(3) . . ?
C7_7 C6_7 C1_7 119.3(3) . . ?
C7_7 C6_7 C5_7 121.6(3) . . ?
C6_7 C7_7 H7_7 119.0 . . ?
C8_7 C7_7 C6_7 121.9(3) . . ?
C8_7 C7_7 H7_7 119.0 . . ?
C7_7 C8_7 C9_7 119.2(3) . . ?
C7_7 C8_7 C11_7 121.6(3) . . ?
C11_7 C8_7 C9_7 119.2(3) . . ?
C8_7 C9_7 C14_7 116.9(3) . . ?
C10_7 C9_7 C8_7 120.3(3) . . ?
C10_7 C9_7 C14_7 122.8(3) . . ?
C1_7 C10_7 C15_7 121.2(3) . . ?
C9_7 C10_7 C1_7 119.7(3) . . ?
C9_7 C10_7 C15_7 119.0(3) . . ?
C8_7 C11_7 H11_7 119.4 . . ?
C12_7 C11_7 C8_7 121.2(4) . . ?
C12_7 C11_7 H11_7 119.4 . . ?
C11_7 C12_7 H12_7 119.8 . . ?
C11_7 C12_7 C13_7 120.3(4) . . ?
C13_7 C12_7 H12_7 119.8 . . ?
C12_7 C13_7 H13_7 119.8 . . ?
C14_7 C13_7 C12_7 120.3(4) . . ?
C14_7 C13_7 H13_7 119.8 . . ?
C9_7 C14_7 H14_7 119.0 . . ?
C13_7 C14_7 C9_7 122.0(4) . . ?
C13_7 C14_7 H14_7 119.0 . . ?
C10_7 C15_7 H15A_7 109.5 . . ?
C10_7 C15_7 H15B_7 109.5 . . ?
C10_7 C15_7 H15C_7 109.5 . . ?
H15A_7 C15_7 H15B_7 109.5 . . ?
H15A_7 C15_7 H15C_7 109.5 . . ?
H15B_7 C15_7 H15C_7 109.5 . . ?
H1A_8 C1_8 H1B_8 109.5 . . ?
H1A_8 C1_8 H1C_8 109.5 . . ?
H1B_8 C1_8 H1C_8 109.5 . . ?
C2_8 C1_8 H1A_8 109.5 . . ?
C2_8 C1_8 H1B_8 109.5 . . ?
C2_8 C1_8 H1C_8 109.5 . . ?
N1_8 C2_8 C1_8 178.6(5) . . ?
H1A_9 C1_9 H1B_9 109.5 . . ?
H1A_9 C1_9 H1C_9 109.5 . . ?
H1B_9 C1_9 H1C_9 109.5 . . ?
C2_9 C1_9 H1A_9 109.5 . . ?
C2_9 C1_9 H1B_9 109.5 . . ?
C2_9 C1_9 H1C_9 109.5 . . ?
N1_9 C2_9 C1_9 179.2(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
N1_5 C8_5 C9_5 C10_5 -0.8(6) . . . . ?
N2_5 C14_5 C15_5 C16_5 0.8(5) . . . . ?
N3_5 C34_5 C35_5 C31_5 0.7(6) . . . . ?
N3_5 C41_5 C42_5 C43_5 93.0(4) . . . . ?
N3_5 C41_5 C42_5 C47_5 -81.3(4) . . . . ?
N4_5 C39_5 C40_5 C36_5 1.1(6) . . . . ?
C1_5 C2_5 C3_5 C4_5 -0.3(5) . . . . ?
C2_5 C1_5 C6_5 C5_5 -2.4(5) . . . . ?
C2_5 C1_5 C7_5 N1_5 95.0(4) . . . . ?
C2_5 C3_5 C4_5 C5_5 -2.3(5) . . . . ?
C2_5 C3_5 C4_5 C13_5 171.8(3) . . . . ?
C3_5 C4_5 C5_5 C6_5 2.5(5) . . . . ?
C3_5 C4_5 C13_5 N2_5 -89.7(4) . . . . ?
C4_5 C5_5 C6_5 C1_5 -0.2(5) . . . . ?
C5_5 C4_5 C13_5 N2_5 84.2(4) . . . . ?
C6_5 C1_5 C2_5 C3_5 2.7(5) . . . . ?
C6_5 C1_5 C7_5 N1_5 -82.4(4) . . . . ?
C7_5 N1_5 C8_5 C9_5 -174.7(3) . . . . ?
C7_5 N1_5 C12_5 C11_5 175.7(3) . . . . ?
C7_5 C1_5 C2_5 C3_5 -174.7(3) . . . . ?
C7_5 C1_5 C6_5 C5_5 175.0(3) . . . . ?
C8_5 N1_5 C7_5 C1_5 95.0(4) . . . . ?
C8_5 N1_5 C12_5 C11_5 -0.2(6) . . . . ?
C8_5 C9_5 C10_5 C11_5 -0.6(5) . . . . ?
C8_5 C9_5 C10_5 C19_5 178.6(3) . . . . ?
C9_5 C10_5 C11_5 C12_5 1.5(6) . . . . ?
C9_5 C10_5 C19_5 C20_5 11.2(5) . . . . ?
C9_5 C10_5 C19_5 C24_5 -168.9(3) . . . . ?
C10_5 C11_5 C12_5 N1_5 -1.2(6) . . . . ?
C10_5 C19_5 C20_5 C21_5 180.0(3) . . . . ?
C10_5 C19_5 C24_5 C23_5 -179.5(3) . . . . ?
C11_5 C10_5 C19_5 C20_5 -169.7(3) . . . . ?
C11_5 C10_5 C19_5 C24_5 10.2(5) . . . . ?
C12_5 N1_5 C7_5 C1_5 -81.0(4) . . . . ?
C12_5 N1_5 C8_5 C9_5 1.3(5) . . . . ?
C13_5 N2_5 C14_5 C15_5 -169.8(3) . . . . ?
C13_5 N2_5 C18_5 C17_5 169.8(3) . . . . ?
C13_5 C4_5 C5_5 C6_5 -171.5(3) . . . . ?
C14_5 N2_5 C13_5 C4_5 81.1(4) . . . . ?
C14_5 N2_5 C18_5 C17_5 -2.9(5) . . . . ?
C14_5 C15_5 C16_5 C17_5 -4.4(5) . . . . ?
C14_5 C15_5 C16_5 C25_5 171.2(3) . . . . ?
C15_5 C16_5 C17_5 C18_5 4.5(5) . . . . ?
C15_5 C16_5 C25_5 C26_5 23.1(5) . . . . ?
C15_5 C16_5 C25_5 C30_5 -152.8(3) . . . . ?
C16_5 C17_5 C18_5 N2_5 -0.9(5) . . . . ?
C16_5 C25_5 C26_5 C27_5 -175.2(3) . . . . ?
C16_5 C25_5 C30_5 C29_5 175.1(3) . . . . ?
C17_5 C16_5 C25_5 C26_5 -161.5(3) . . . . ?
C17_5 C16_5 C25_5 C30_5 22.5(5) . . . . ?
C18_5 N2_5 C13_5 C4_5 -91.7(4) . . . . ?
C18_5 N2_5 C14_5 C15_5 3.0(5) . . . . ?
C19_5 C10_5 C11_5 C12_5 -177.6(3) . . . . ?
C19_5 C20_5 C21_5 C22_5 -0.4(5) . . . . ?
C20_5 C19_5 C24_5 C23_5 0.4(5) . . . . ?
C20_5 C21_5 C22_5 C23_5 0.3(5) . . . . ?
C20_5 C21_5 C22_5 C31_5 176.6(3) . . . . ?
C21_5 C22_5 C23_5 C24_5 0.2(5) . . . . ?
C21_5 C22_5 C31_5 C32_5 -24.7(5) . . . . ?
C21_5 C22_5 C31_5 C35_5 159.7(3) . . . . ?
C22_5 C23_5 C24_5 C19_5 -0.5(5) . . . . ?
C22_5 C31_5 C32_5 C33_5 -170.8(3) . . . . ?
C22_5 C31_5 C35_5 C34_5 171.1(3) . . . . ?
C23_5 C22_5 C31_5 C32_5 151.6(3) . . . . ?
C23_5 C22_5 C31_5 C35_5 -24.0(5) . . . . ?
C24_5 C19_5 C20_5 C21_5 0.1(5) . . . . ?
C25_5 C16_5 C17_5 C18_5 -171.1(3) . . . . ?
C25_5 C26_5 C27_5 C28_5 0.0(5) . . . . ?
C26_5 C25_5 C30_5 C29_5 -1.0(5) . . . . ?
C26_5 C27_5 C28_5 C29_5 -0.7(5) . . . . ?
C26_5 C27_5 C28_5 C36_5 178.6(3) . . . . ?
C27_5 C28_5 C29_5 C30_5 0.5(5) . . . . ?
C27_5 C28_5 C36_5 C37_5 -11.6(5) . . . . ?
C27_5 C28_5 C36_5 C40_5 169.2(3) . . . . ?
C28_5 C29_5 C30_5 C25_5 0.3(5) . . . . ?
C28_5 C36_5 C37_5 C38_5 -178.6(3) . . . . ?
C28_5 C36_5 C40_5 C39_5 177.5(3) . . . . ?
C29_5 C28_5 C36_5 C37_5 167.7(3) . . . . ?
C29_5 C28_5 C36_5 C40_5 -11.5(5) . . . . ?
C30_5 C25_5 C26_5 C27_5 0.8(5) . . . . ?
C31_5 C22_5 C23_5 C24_5 -176.3(3) . . . . ?
C31_5 C32_5 C33_5 N3_5 -1.3(5) . . . . ?
C32_5 C31_5 C35_5 C34_5 -4.7(5) . . . . ?
C33_5 N3_5 C34_5 C35_5 3.3(5) . . . . ?
C33_5 N3_5 C41_5 C42_5 -83.5(4) . . . . ?
C34_5 N3_5 C33_5 C32_5 -3.0(5) . . . . ?
C34_5 N3_5 C41_5 C42_5 88.4(4) . . . . ?
C35_5 C31_5 C32_5 C33_5 5.0(5) . . . . ?
C36_5 C28_5 C29_5 C30_5 -178.8(3) . . . . ?
C36_5 C37_5 C38_5 N4_5 1.1(6) . . . . ?
C37_5 C36_5 C40_5 C39_5 -1.7(5) . . . . ?
C38_5 N4_5 C39_5 C40_5 0.7(5) . . . . ?
C38_5 N4_5 C48_5 C45_5 -98.0(4) . . . . ?
C39_5 N4_5 C38_5 C37_5 -1.8(5) . . . . ?
C39_5 N4_5 C48_5 C45_5 78.7(4) . . . . ?
C40_5 C36_5 C37_5 C38_5 0.7(5) . . . . ?
C41_5 N3_5 C33_5 C32_5 168.8(3) . . . . ?
C41_5 N3_5 C34_5 C35_5 -168.4(3) . . . . ?
C41_5 C42_5 C43_5 C44_5 -172.4(3) . . . . ?
C41_5 C42_5 C47_5 C46_5 171.5(3) . . . . ?
C42_5 C43_5 C44_5 C45_5 1.0(5) . . . . ?
C43_5 C42_5 C47_5 C46_5 -3.0(5) . . . . ?
C43_5 C44_5 C45_5 C46_5 -3.2(5) . . . . ?
C43_5 C44_5 C45_5 C48_5 175.2(3) . . . . ?
C44_5 C45_5 C46_5 C47_5 2.3(5) . . . . ?
C44_5 C45_5 C48_5 N4_5 -94.4(4) . . . . ?
C45_5 C46_5 C47_5 C42_5 0.9(5) . . . . ?
C46_5 C45_5 C48_5 N4_5 84.0(4) . . . . ?
C47_5 C42_5 C43_5 C44_5 2.1(5) . . . . ?
C48_5 N4_5 C38_5 C37_5 175.0(3) . . . . ?
C48_5 N4_5 C39_5 C40_5 -176.0(3) . . . . ?
C48_5 C45_5 C46_5 C47_5 -176.1(3) . . . . ?
C1_6 C2_6 C3_6 C4_6 0.6(5) . . . . ?
C1_6 C2_6 C7_6 C8_6 0.1(5) . . . . ?
C2_6 C1_6 C6_6 C5_6 -0.8(5) . . . . ?
C2_6 C1_6 C10_6 C9_6 -0.7(5) . . . . ?
C2_6 C1_6 C10_6 C15_6 177.2(3) . . . . ?
C2_6 C3_6 C4_6 C5_6 0.4(6) . . . . ?
C2_6 C7_6 C8_6 C9_6 -1.3(5) . . . . ?
C2_6 C7_6 C8_6 C11_6 178.6(3) . . . . ?
C3_6 C2_6 C7_6 C8_6 179.9(3) . . . . ?
C3_6 C4_6 C5_6 C6_6 -1.6(5) . . . . ?
C4_6 C5_6 C6_6 C1_6 1.8(5) . . . . ?
C6_6 C1_6 C2_6 C3_6 -0.4(5) . . . . ?
C6_6 C1_6 C2_6 C7_6 179.4(3) . . . . ?
C6_6 C1_6 C10_6 C9_6 -179.2(3) . . . . ?
C6_6 C1_6 C10_6 C15_6 -1.2(5) . . . . ?
C7_6 C2_6 C3_6 C4_6 -179.2(3) . . . . ?
C7_6 C8_6 C9_6 C10_6 1.4(5) . . . . ?
C7_6 C8_6 C9_6 C14_6 179.4(3) . . . . ?
C7_6 C8_6 C11_6 C12_6 -178.1(3) . . . . ?
C8_6 C9_6 C10_6 C1_6 -0.4(5) . . . . ?
C8_6 C9_6 C10_6 C15_6 -178.4(3) . . . . ?
C8_6 C9_6 C14_6 C13_6 -0.7(5) . . . . ?
C8_6 C11_6 C12_6 C13_6 -1.8(6) . . . . ?
C9_6 C8_6 C11_6 C12_6 1.8(5) . . . . ?
C10_6 C1_6 C2_6 C3_6 -178.9(3) . . . . ?
C10_6 C1_6 C2_6 C7_6 0.9(5) . . . . ?
C10_6 C1_6 C6_6 C5_6 177.6(3) . . . . ?
C10_6 C9_6 C14_6 C13_6 177.2(3) . . . . ?
C11_6 C8_6 C9_6 C10_6 -178.5(3) . . . . ?
C11_6 C8_6 C9_6 C14_6 -0.5(5) . . . . ?
C11_6 C12_6 C13_6 C14_6 0.5(6) . . . . ?
C12_6 C13_6 C14_6 C9_6 0.8(6) . . . . ?
C14_6 C9_6 C10_6 C1_6 -178.3(3) . . . . ?
C14_6 C9_6 C10_6 C15_6 3.7(5) . . . . ?
C1_7 C2_7 C3_7 C4_7 -1.8(6) . . . . ?
C1_7 C6_7 C7_7 C8_7 1.1(5) . . . . ?
C2_7 C1_7 C6_7 C5_7 3.2(5) . . . . ?
C2_7 C1_7 C6_7 C7_7 -177.7(3) . . . . ?
C2_7 C1_7 C10_7 C9_7 175.7(3) . . . . ?
C2_7 C1_7 C10_7 C15_7 -4.6(5) . . . . ?
C2_7 C3_7 C4_7 C5_7 2.4(6) . . . . ?
C3_7 C4_7 C5_7 C6_7 -0.2(6) . . . . ?
C4_7 C5_7 C6_7 C1_7 -2.6(6) . . . . ?
C4_7 C5_7 C6_7 C7_7 178.3(4) . . . . ?
C5_7 C6_7 C7_7 C8_7 -179.8(3) . . . . ?
C6_7 C1_7 C2_7 C3_7 -1.1(5) . . . . ?
C6_7 C1_7 C10_7 C9_7 -3.5(5) . . . . ?
C6_7 C1_7 C10_7 C15_7 176.2(3) . . . . ?
C6_7 C7_7 C8_7 C9_7 -1.7(5) . . . . ?
C6_7 C7_7 C8_7 C11_7 179.7(3) . . . . ?
C7_7 C8_7 C9_7 C10_7 -0.3(5) . . . . ?
C7_7 C8_7 C9_7 C14_7 179.7(3) . . . . ?
C7_7 C8_7 C11_7 C12_7 178.9(4) . . . . ?
C8_7 C9_7 C10_7 C1_7 2.9(5) . . . . ?
C8_7 C9_7 C10_7 C15_7 -176.8(3) . . . . ?
C8_7 C9_7 C14_7 C13_7 1.6(5) . . . . ?
C8_7 C11_7 C12_7 C13_7 1.2(6) . . . . ?
C9_7 C8_7 C11_7 C12_7 0.3(5) . . . . ?
C10_7 C1_7 C2_7 C3_7 179.8(4) . . . . ?
C10_7 C1_7 C6_7 C5_7 -177.6(3) . . . . ?
C10_7 C1_7 C6_7 C7_7 1.5(5) . . . . ?
C10_7 C9_7 C14_7 C13_7 -178.4(3) . . . . ?
C11_7 C8_7 C9_7 C10_7 178.3(3) . . . . ?
C11_7 C8_7 C9_7 C14_7 -1.7(5) . . . . ?
C11_7 C12_7 C13_7 C14_7 -1.3(6) . . . . ?
C12_7 C13_7 C14_7 C9_7 -0.1(6) . . . . ?
C14_7 C9_7 C10_7 C1_7 -177.1(3) . . . . ?
C14_7 C9_7 C10_7 C15_7 3.2(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.682
_oxdiff_exptl_absorpt_empirical_full_min 0.673
