# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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. 
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#######################################################################

data_H2_1(PF6)2
_database_code_depnum_ccdc_archive 'CCDC 2090008'
loop_
_audit_author_name
_audit_author_address
'YingFeng Han'
;Northwest univeristy
China
;
_audit_update_record             
;
2021-06-15 deposited with the CCDC.	2021-07-28 downloaded from the CCDC.
;
_audit_creation_date             2021-06-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(F6 P), C56 H64 N4 O14, 2(C2 H3 N), H2 O'
_chemical_formula_sum            'C60 H72 F12 N6 O15 P2'
_chemical_formula_weight         1407.17
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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           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                   25.2644(10)
_cell_length_b                   17.7940(8)
_cell_length_c                   15.8935(7)
_cell_angle_alpha                90
_cell_angle_beta                 112.9860(10)
_cell_angle_gamma                90
_cell_volume                     6577.7(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9954
_cell_measurement_temperature    151.0
_cell_measurement_theta_max      25.08
_cell_measurement_theta_min      2.29
_shelx_estimated_absorpt_T_max   0.965
_shelx_estimated_absorpt_T_min   0.961
_exptl_absorpt_coefficient_mu    0.169
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6591
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1483 before and 0.0799 after correction.
The Ratio of minimum to maximum transmission is 0.8845.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.421
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2928
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0723
_diffrn_reflns_av_unetI/netI     0.0327
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            51054
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.344
_diffrn_reflns_theta_min         2.228
_diffrn_ambient_temperature      151.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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                4271
_reflns_number_total             6019
_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 V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.465
_refine_diff_density_min         -0.381
_refine_diff_density_rms         0.047
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         6019
_refine_ls_number_restraints     39
_refine_ls_R_factor_all          0.0779
_refine_ls_R_factor_gt           0.0512
_refine_ls_restrained_S_all      1.074
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0650P)²+8.7688P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1300
_refine_ls_wR_factor_ref         0.1476
_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, All O(H,H) groups
2. Restrained distances
 P1-F4A \\sim P1-F6
 with sigma of 0.02
 P1-F5A \\sim P1-F5
 with sigma of 0.02
 P1-F6A \\sim P1-F4
 with sigma of 0.02
3. Rigid body (RIGU) restrains
 P1, F4, F6A, F4A, F5, F6, F5A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
4. Others
 Fixed Sof: O9(0.5) H9A(0.5) H9B(0.5) F5(0.6) F6(0.6) F4(0.6) F4A(0.4)
 F5A(0.4) F6A(0.4)
5.a Free rotating group:
 O9(H9A,H9B)
5.b Secondary CH2 refined with riding coordinates:
 C18(H18A,H18B), C19(H19A,H19B), C20(H20A,H20B), C22(H22A,H22B), C23(H23A,
 H23B), C24(H24A,H24B), C28(H28A,H28B), C29(H29A,H29B)
5.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C5(H5), C6(H6), C8(H8), C9(H9), C11(H11), C12(H12), C13(H13),
 C14(H14), C15(H15), C17(H17), C25(H25)
5.d Idealised Me refined as rotating group:
 C27(H27A,H27B,H27C), C30(H30A,H30B,H30C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
P2 P 0.500000 1.000000 0.500000 0.0781(5) Uani 1 2 d S T P . .
O1 O 0.51464(7) 0.38877(10) 0.54680(11) 0.0401(4) Uani 1 1 d . . . . .
O2 O 0.500000 0.18851(13) 0.750000 0.0439(6) Uani 1 2 d S T P . .
O3 O 0.62922(8) 0.58775(11) 0.70325(12) 0.0472(5) Uani 1 1 d . . . . .
O4 O 0.48168(8) 0.24335(10) 0.57786(12) 0.0448(4) Uani 1 1 d . . . . .
N2 N 0.62307(8) 0.65125(11) 0.26247(13) 0.0314(4) Uani 1 1 d . . . . .
O5 O 0.61082(9) 0.73345(12) 0.74993(14) 0.0609(6) Uani 1 1 d . . . . .
O6 O 0.66479(9) 1.01361(11) -0.08566(15) 0.0609(6) Uani 1 1 d . . . . .
N3 N 0.62627(8) 0.56527(11) 0.36026(13) 0.0363(5) Uani 1 1 d . . . . .
F1 F 0.54733(9) 0.99013(12) 0.45843(19) 0.1016(8) Uani 1 1 d . . . . .
O7 O 0.72202(11) 0.92108(13) -0.09319(18) 0.0762(7) Uani 1 1 d . . . . .
F2 F 0.45022(10) 0.98360(13) 0.40198(18) 0.1024(8) Uani 1 1 d . . . . .
O8 O 0.500000 0.77835(19) 0.750000 0.0779(10) Uani 1 2 d S T P . .
C1 C 0.65476(10) 0.59609(14) 0.31463(16) 0.0370(6) Uani 1 1 d . . . . .
H1 H 0.691762 0.581273 0.318473 0.044 Uiso 1 1 calc R . . . .
C2 C 0.57292(10) 0.48906(14) 0.62016(16) 0.0354(6) Uani 1 1 d . . . . .
H2 H 0.555783 0.487627 0.663755 0.042 Uiso 1 1 calc R . . . .
C3 C 0.63919(10) 0.69839(13) 0.20310(15) 0.0322(5) Uani 1 1 d . . . . .
C4 C 0.62155(11) 0.49531(15) 0.49208(18) 0.0423(6) Uani 1 1 d . . . . .
F3 F 0.50405(11) 0.91248(12) 0.52295(19) 0.1012(8) Uani 1 1 d . . . . .
C5 C 0.68903(10) 0.71662(14) 0.10498(17) 0.0377(6) Uani 1 1 d . . . . .
H5 H 0.713046 0.697828 0.076362 0.045 Uiso 1 1 calc R . . . .
C6 C 0.57928(11) 0.44281(15) 0.48207(17) 0.0401(6) Uani 1 1 d . . . . .
H6 H 0.566577 0.409631 0.431209 0.048 Uiso 1 1 calc R . . . .
C7 C 0.55541(10) 0.43921(14) 0.54809(16) 0.0357(6) Uani 1 1 d . . . . .
C8 C 0.67342(10) 0.66984(14) 0.16085(16) 0.0339(5) Uani 1 1 d . . . . .
H8 H 0.685979 0.619050 0.170041 0.041 Uiso 1 1 calc R . . . .
C9 C 0.61930(11) 0.77146(14) 0.18884(17) 0.0388(6) Uani 1 1 d . . . . .
H9 H 0.595252 0.789777 0.217661 0.047 Uiso 1 1 calc R . . . .
C10 C 0.67004(10) 0.79124(14) 0.08982(16) 0.0368(6) Uani 1 1 d . . . . .
C11 C 0.57232(10) 0.65529(14) 0.27577(16) 0.0359(6) Uani 1 1 d . . . . .
H11 H 0.541642 0.689503 0.247208 0.043 Uiso 1 1 calc R . . . .
C12 C 0.57442(10) 0.60174(14) 0.33672(17) 0.0376(6) Uani 1 1 d . . . . .
H12 H 0.545526 0.591079 0.359305 0.045 Uiso 1 1 calc R . . . .
C13 C 0.68739(11) 0.83873(15) 0.02980(17) 0.0411(6) Uani 1 1 d . . . . .
H13 H 0.715269 0.818159 0.009980 0.049 Uiso 1 1 calc R . . . .
C14 C 0.66867(12) 0.90705(15) 0.00000(18) 0.0449(6) Uani 1 1 d . . . . .
H14 H 0.641936 0.931036 0.019759 0.054 Uiso 1 1 calc R . . . .
C15 C 0.64071(11) 0.54451(15) 0.56544(18) 0.0434(6) Uani 1 1 d . . . . .
H15 H 0.670393 0.579655 0.572105 0.052 Uiso 1 1 calc R . . . .
C16 C 0.61552(11) 0.54131(14) 0.62918(17) 0.0396(6) Uani 1 1 d . . . . .
C17 C 0.63462(11) 0.81760(15) 0.13245(17) 0.0408(6) Uani 1 1 d . . . . .
H17 H 0.620958 0.867900 0.122428 0.049 Uiso 1 1 calc R . . . .
N1 N 0.76604(12) 0.50764(17) 0.3153(2) 0.0715(8) Uani 1 1 d . . . . .
C18 C 0.44300(12) 0.19161(16) 0.5913(2) 0.0490(7) Uani 1 1 d . . . . .
H18A H 0.424915 0.160184 0.535993 0.059 Uiso 1 1 calc R . . . .
H18B H 0.412227 0.219159 0.602204 0.059 Uiso 1 1 calc R . . . .
C19 C 0.50091(12) 0.32967(15) 0.48005(17) 0.0448(6) Uani 1 1 d . . . . .
H19A H 0.535842 0.300251 0.488269 0.054 Uiso 1 1 calc R . . . .
H19B H 0.485597 0.351191 0.417651 0.054 Uiso 1 1 calc R . . . .
C20 C 0.45691(12) 0.28028(16) 0.49281(18) 0.0476(7) Uani 1 1 d . . . . .
H20A H 0.423713 0.310846 0.490860 0.057 Uiso 1 1 calc R . . . .
H20B H 0.442979 0.242763 0.442927 0.057 Uiso 1 1 calc R . . . .
C21 C 0.68886(12) 0.94618(15) -0.06343(19) 0.0464(7) Uani 1 1 d . . . . .
C22 C 0.64698(13) 0.49884(16) 0.4203(2) 0.0526(8) Uani 1 1 d . . . . .
H22A H 0.689428 0.500816 0.450747 0.063 Uiso 1 1 calc R . . . .
H22B H 0.636524 0.452646 0.382595 0.063 Uiso 1 1 calc R . . . .
C23 C 0.47489(13) 0.14332(15) 0.6710(2) 0.0507(7) Uani 1 1 d . . . . .
H23A H 0.448321 0.106479 0.680307 0.061 Uiso 1 1 calc R . . . .
H23B H 0.505268 0.115239 0.659569 0.061 Uiso 1 1 calc R . . . .
C24 C 0.66976(12) 0.64699(17) 0.7147(2) 0.0519(7) Uani 1 1 d . . . . .
H24A H 0.660599 0.674355 0.656457 0.062 Uiso 1 1 calc R . . . .
H24B H 0.709183 0.626423 0.734621 0.062 Uiso 1 1 calc R . . . .
C25 C 0.66525(13) 0.69799(18) 0.7855(2) 0.0608(8) Uani 1 1 d . . . . .
H25 H 0.694114 0.705570 0.844848 0.073 Uiso 1 1 calc R . . . .
C26 C 0.79920(13) 0.5536(2) 0.3303(2) 0.0573(8) Uani 1 1 d . . . . .
C27 C 0.67837(16) 1.05601(18) -0.1521(2) 0.0679(9) Uani 1 1 d . . . . .
H27A H 0.654424 1.038384 -0.213714 0.102 Uiso 1 1 calc GR . . . .
H27B H 0.719021 1.048964 -0.141024 0.102 Uiso 1 1 calc GR . . . .
H27C H 0.670869 1.109449 -0.146678 0.102 Uiso 1 1 calc GR . . . .
C28 C 0.60201(18) 0.7787(2) 0.8166(3) 0.0860(12) Uani 1 1 d . . . . .
H28A H 0.635646 0.812054 0.845500 0.103 Uiso 1 1 calc R . . . .
H28B H 0.598795 0.746065 0.864862 0.103 Uiso 1 1 calc R . . . .
C29 C 0.54971(18) 0.8248(2) 0.7766(3) 0.0904(13) Uani 1 1 d . . . . .
H29A H 0.548643 0.862247 0.821953 0.108 Uiso 1 1 calc R . . . .
H29B H 0.550187 0.852127 0.722698 0.108 Uiso 1 1 calc R . . . .
C30 C 0.84014(17) 0.6127(2) 0.3471(3) 0.0968(14) Uani 1 1 d . . . . .
H30A H 0.836992 0.634709 0.288804 0.145 Uiso 1 1 calc GR . . . .
H30B H 0.878964 0.592473 0.379124 0.145 Uiso 1 1 calc GR . . . .
H30C H 0.832626 0.651399 0.384829 0.145 Uiso 1 1 calc GR . . . .
O9 O 0.5222(2) 0.3846(3) 0.2564(4) 0.0676(13) Uani 0.5 1 d . . . A -1
H9A H 0.504559 0.344059 0.261728 0.101 Uiso 0.5 1 d G . . A -1
H9B H 0.553740 0.372497 0.249868 0.101 Uiso 0.5 1 d G . . A -1
P1 P 0.750000 0.750000 0.500000 0.0482(3) Uani 1 2 d DS TU P . .
F5 F 0.7641(5) 0.6723(4) 0.4686(7) 0.122(3) Uani 0.6 1 d D U . B 1
F6 F 0.80745(19) 0.7399(3) 0.5862(4) 0.0889(15) Uani 0.6 1 d D U . B 1
F4 F 0.7161(3) 0.7205(5) 0.5542(5) 0.139(2) Uani 0.6 1 d D U . B 1
F4A F 0.7760(6) 0.7381(6) 0.6034(5) 0.141(4) Uani 0.4 1 d D U . B 2
F5A F 0.7499(6) 0.6640(5) 0.4849(9) 0.115(5) Uani 0.4 1 d D U . B 2
F6A F 0.8064(5) 0.7845(9) 0.5062(10) 0.181(5) Uani 0.4 1 d D U . B 2


_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
P2 F1 1.5857(19) . ?
P2 F1 1.5858(19) 5_676 ?
P2 F2 1.601(2) 5_676 ?
P2 F2 1.601(2) . ?
P2 F3 1.594(2) 5_676 ?
P2 F3 1.594(2) . ?
O1 C7 1.360(3) . ?
O1 C19 1.437(3) . ?
O2 C23 1.416(3) 2_656 ?
O2 C23 1.416(3) . ?
O3 C16 1.368(3) . ?
O3 C24 1.431(3) . ?
O4 C18 1.418(3) . ?
O4 C20 1.411(3) . ?
N2 C1 1.332(3) . ?
N2 C3 1.435(3) . ?
N2 C11 1.381(3) . ?
O5 C25 1.415(4) . ?
O5 C28 1.417(4) . ?
O6 C21 1.329(3) . ?
O6 C27 1.444(3) . ?
N3 C1 1.324(3) . ?
N3 C12 1.376(3) . ?
N3 C22 1.480(3) . ?
O7 C21 1.198(3) . ?
O8 C29 1.422(4) . ?
O8 C29 1.423(4) 2_656 ?
C1 H1 0.9500 . ?
C2 H2 0.9500 . ?
C2 C7 1.378(3) . ?
C2 C16 1.387(3) . ?
C3 C8 1.382(3) . ?
C3 C9 1.380(3) . ?
C4 C6 1.381(4) . ?
C4 C15 1.385(4) . ?
C4 C22 1.514(3) . ?
C5 H5 0.9500 . ?
C5 C8 1.382(3) . ?
C5 C10 1.400(4) . ?
C6 H6 0.9500 . ?
C6 C7 1.401(3) . ?
C8 H8 0.9500 . ?
C9 H9 0.9500 . ?
C9 C17 1.378(3) . ?
C10 C13 1.464(3) . ?
C10 C17 1.398(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.345(3) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C13 C14 1.323(4) . ?
C14 H14 0.9500 . ?
C14 C21 1.471(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.392(3) . ?
C17 H17 0.9500 . ?
N1 C26 1.128(4) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C23 1.481(4) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.492(4) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.484(4) . ?
C25 H25 0.9500 . ?
C26 C30 1.424(5) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C29 1.471(6) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
O9 H9A 0.8699 . ?
O9 H9B 0.8703 . ?
P1 F5 1.559(6) 7_666 ?
P1 F5 1.559(6) . ?
P1 F6 1.569(4) 7_666 ?
P1 F6 1.569(4) . ?
P1 F4 1.526(4) 7_666 ?
P1 F4 1.526(4) . ?
P1 F4A 1.528(7) 7_666 ?
P1 F4A 1.528(7) . ?
P1 F5A 1.549(9) . ?
P1 F5A 1.549(9) 7_666 ?
P1 F6A 1.519(7) 7_666 ?
P1 F6A 1.519(7) . ?
F5A F6A 1.743(19) 7_666 ?

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
F1 P2 F1 180.0 . 5_676 ?
F1 P2 F2 90.46(13) 5_676 5_676 ?
F1 P2 F2 89.54(13) . 5_676 ?
F1 P2 F2 89.54(13) 5_676 . ?
F1 P2 F2 90.46(13) . . ?
F1 P2 F3 90.25(12) . 5_676 ?
F1 P2 F3 89.75(12) 5_676 5_676 ?
F1 P2 F3 90.25(12) 5_676 . ?
F1 P2 F3 89.75(12) . . ?
F2 P2 F2 180.0 . 5_676 ?
F3 P2 F2 90.03(13) . . ?
F3 P2 F2 90.03(13) 5_676 5_676 ?
F3 P2 F2 89.97(13) 5_676 . ?
F3 P2 F2 89.97(13) . 5_676 ?
F3 P2 F3 180.00(3) 5_676 . ?
C7 O1 C19 117.21(18) . . ?
C23 O2 C23 110.8(3) . 2_656 ?
C16 O3 C24 118.9(2) . . ?
C20 O4 C18 111.9(2) . . ?
C1 N2 C3 125.75(19) . . ?
C1 N2 C11 108.15(19) . . ?
C11 N2 C3 126.1(2) . . ?
C25 O5 C28 111.5(3) . . ?
C21 O6 C27 116.8(2) . . ?
C1 N3 C12 108.6(2) . . ?
C1 N3 C22 123.6(2) . . ?
C12 N3 C22 127.7(2) . . ?
C29 O8 C29 109.0(4) . 2_656 ?
N2 C1 H1 125.6 . . ?
N3 C1 N2 108.9(2) . . ?
N3 C1 H1 125.6 . . ?
C7 C2 H2 119.9 . . ?
C7 C2 C16 120.1(2) . . ?
C16 C2 H2 119.9 . . ?
C8 C3 N2 119.8(2) . . ?
C9 C3 N2 118.7(2) . . ?
C9 C3 C8 121.5(2) . . ?
C6 C4 C15 121.7(2) . . ?
C6 C4 C22 118.6(3) . . ?
C15 C4 C22 119.8(3) . . ?
C8 C5 H5 119.4 . . ?
C8 C5 C10 121.1(2) . . ?
C10 C5 H5 119.4 . . ?
C4 C6 H6 120.5 . . ?
C4 C6 C7 119.0(2) . . ?
C7 C6 H6 120.5 . . ?
O1 C7 C2 115.6(2) . . ?
O1 C7 C6 124.3(2) . . ?
C2 C7 C6 120.0(2) . . ?
C3 C8 C5 118.7(2) . . ?
C3 C8 H8 120.6 . . ?
C5 C8 H8 120.6 . . ?
C3 C9 H9 120.3 . . ?
C17 C9 C3 119.4(2) . . ?
C17 C9 H9 120.3 . . ?
C5 C10 C13 119.3(2) . . ?
C17 C10 C5 118.4(2) . . ?
C17 C10 C13 122.2(2) . . ?
N2 C11 H11 126.4 . . ?
C12 C11 N2 107.2(2) . . ?
C12 C11 H11 126.4 . . ?
N3 C12 H12 126.4 . . ?
C11 C12 N3 107.2(2) . . ?
C11 C12 H12 126.4 . . ?
C10 C13 H13 116.3 . . ?
C14 C13 C10 127.4(2) . . ?
C14 C13 H13 116.3 . . ?
C13 C14 H14 119.7 . . ?
C13 C14 C21 120.6(2) . . ?
C21 C14 H14 119.7 . . ?
C4 C15 H15 120.7 . . ?
C4 C15 C16 118.5(2) . . ?
C16 C15 H15 120.7 . . ?
O3 C16 C2 114.8(2) . . ?
O3 C16 C15 124.6(2) . . ?
C2 C16 C15 120.6(2) . . ?
C9 C17 C10 120.7(2) . . ?
C9 C17 H17 119.6 . . ?
C10 C17 H17 119.6 . . ?
O4 C18 H18A 109.8 . . ?
O4 C18 H18B 109.8 . . ?
O4 C18 C23 109.2(2) . . ?
H18A C18 H18B 108.3 . . ?
C23 C18 H18A 109.8 . . ?
C23 C18 H18B 109.8 . . ?
O1 C19 H19A 110.1 . . ?
O1 C19 H19B 110.1 . . ?
O1 C19 C20 108.0(2) . . ?
H19A C19 H19B 108.4 . . ?
C20 C19 H19A 110.1 . . ?
C20 C19 H19B 110.1 . . ?
O4 C20 C19 109.2(2) . . ?
O4 C20 H20A 109.8 . . ?
O4 C20 H20B 109.8 . . ?
C19 C20 H20A 109.8 . . ?
C19 C20 H20B 109.8 . . ?
H20A C20 H20B 108.3 . . ?
O6 C21 C14 111.4(2) . . ?
O7 C21 O6 123.3(3) . . ?
O7 C21 C14 125.3(3) . . ?
N3 C22 C4 111.8(2) . . ?
N3 C22 H22A 109.3 . . ?
N3 C22 H22B 109.3 . . ?
C4 C22 H22A 109.3 . . ?
C4 C22 H22B 109.3 . . ?
H22A C22 H22B 107.9 . . ?
O2 C23 C18 109.6(2) . . ?
O2 C23 H23A 109.8 . . ?
O2 C23 H23B 109.8 . . ?
C18 C23 H23A 109.8 . . ?
C18 C23 H23B 109.8 . . ?
H23A C23 H23B 108.2 . . ?
O3 C24 H24A 110.4 . . ?
O3 C24 H24B 110.4 . . ?
O3 C24 C25 106.5(2) . . ?
H24A C24 H24B 108.6 . . ?
C25 C24 H24A 110.4 . . ?
C25 C24 H24B 110.4 . . ?
O5 C25 C24 108.7(2) . . ?
O5 C25 H25 125.7 . . ?
C24 C25 H25 125.7 . . ?
N1 C26 C30 178.5(4) . . ?
O6 C27 H27A 109.5 . . ?
O6 C27 H27B 109.5 . . ?
O6 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O5 C28 H28A 109.3 . . ?
O5 C28 H28B 109.3 . . ?
O5 C28 C29 111.7(3) . . ?
H28A C28 H28B 107.9 . . ?
C29 C28 H28A 109.3 . . ?
C29 C28 H28B 109.3 . . ?
O8 C29 C28 110.2(3) . . ?
O8 C29 H29A 109.6 . . ?
O8 C29 H29B 109.6 . . ?
C28 C29 H29A 109.6 . . ?
C28 C29 H29B 109.6 . . ?
H29A C29 H29B 108.1 . . ?
C26 C30 H30A 109.5 . . ?
C26 C30 H30B 109.5 . . ?
C26 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
H9A O9 H9B 109.5 . . ?
F5 P1 F5 180.0 7_666 . ?
F5 P1 F6 85.9(4) 7_666 7_666 ?
F5 P1 F6 94.1(4) 7_666 . ?
F5 P1 F6 94.1(4) . 7_666 ?
F5 P1 F6 85.9(4) . . ?
F6 P1 F6 180.0 7_666 . ?
F4 P1 F5 97.2(5) . . ?
F4 P1 F5 97.2(5) 7_666 7_666 ?
F4 P1 F5 82.8(5) 7_666 . ?
F4 P1 F5 82.8(5) . 7_666 ?
F4 P1 F6 90.0(3) . 7_666 ?
F4 P1 F6 90.0(3) 7_666 7_666 ?
F4 P1 F6 90.0(3) . . ?
F4 P1 F6 90.0(3) 7_666 . ?
F4 P1 F4 180.0 . 7_666 ?
F4 P1 F4A 123.7(5) . 7_666 ?
F4 P1 F4A 56.3(5) 7_666 7_666 ?
F4 P1 F5A 77.3(7) 7_666 7_666 ?
F4 P1 F5A 102.7(7) . 7_666 ?
F4A P1 F5A 89.8(6) 7_666 . ?
F4A P1 F5A 90.2(6) . . ?
F5A P1 F5A 180.0 7_666 . ?
F6A P1 F4A 90.7(6) 7_666 . ?
F6A P1 F4A 89.3(6) . . ?
F6A P1 F5A 69.2(8) 7_666 . ?
F6A P1 F5A 110.8(8) . . ?
F6A P1 F6A 180.0 7_666 . ?
P1 F5A F6A 54.5(5) . 7_666 ?
P1 F6A F5A 56.2(6) . 7_666 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C19 C20 O4 -66.6(3) . . . . ?
O3 C24 C25 O5 -67.4(3) . . . . ?
O4 C18 C23 O2 60.3(3) . . . . ?
N2 C3 C8 C5 -179.1(2) . . . . ?
N2 C3 C9 C17 179.6(2) . . . . ?
N2 C11 C12 N3 -0.1(3) . . . . ?
O5 C28 C29 O8 69.8(4) . . . . ?
C1 N2 C3 C8 32.1(3) . . . . ?
C1 N2 C3 C9 -148.6(2) . . . . ?
C1 N2 C11 C12 0.1(3) . . . . ?
C1 N3 C12 C11 0.0(3) . . . . ?
C1 N3 C22 C4 155.9(2) . . . . ?
C3 N2 C1 N3 179.7(2) . . . . ?
C3 N2 C11 C12 -179.7(2) . . . . ?
C3 C9 C17 C10 -0.1(4) . . . . ?
C4 C6 C7 O1 -178.3(2) . . . . ?
C4 C6 C7 C2 1.9(4) . . . . ?
C4 C15 C16 O3 -178.2(2) . . . . ?
C4 C15 C16 C2 1.2(4) . . . . ?
C5 C10 C13 C14 171.9(3) . . . . ?
C5 C10 C17 C9 0.7(4) . . . . ?
C6 C4 C15 C16 -1.3(4) . . . . ?
C6 C4 C22 N3 106.1(3) . . . . ?
C7 O1 C19 C20 178.4(2) . . . . ?
C7 C2 C16 O3 179.9(2) . . . . ?
C7 C2 C16 C15 0.5(4) . . . . ?
C8 C3 C9 C17 -1.1(4) . . . . ?
C8 C5 C10 C13 -179.7(2) . . . . ?
C8 C5 C10 C17 -0.2(4) . . . . ?
C9 C3 C8 C5 1.6(4) . . . . ?
C10 C5 C8 C3 -1.0(4) . . . . ?
C10 C13 C14 C21 -177.5(3) . . . . ?
C11 N2 C1 N3 -0.1(3) . . . . ?
C11 N2 C3 C8 -148.2(2) . . . . ?
C11 N2 C3 C9 31.1(3) . . . . ?
C12 N3 C1 N2 0.0(3) . . . . ?
C12 N3 C22 C4 -29.2(4) . . . . ?
C13 C10 C17 C9 -179.7(2) . . . . ?
C13 C14 C21 O6 179.5(3) . . . . ?
C13 C14 C21 O7 0.6(5) . . . . ?
C15 C4 C6 C7 -0.2(4) . . . . ?
C15 C4 C22 N3 -73.6(3) . . . . ?
C16 O3 C24 C25 166.5(2) . . . . ?
C16 C2 C7 O1 178.1(2) . . . . ?
C16 C2 C7 C6 -2.1(4) . . . . ?
C17 C10 C13 C14 -7.6(4) . . . . ?
C18 O4 C20 C19 -176.0(2) . . . . ?
C19 O1 C7 C2 -171.8(2) . . . . ?
C19 O1 C7 C6 8.4(3) . . . . ?
C20 O4 C18 C23 167.8(2) . . . . ?
C22 N3 C1 N2 175.8(2) . . . . ?
C22 N3 C12 C11 -175.5(2) . . . . ?
C22 C4 C6 C7 -179.9(2) . . . . ?
C22 C4 C15 C16 178.4(2) . . . . ?
C23 O2 C23 C18 173.2(3) 2_656 . . . ?
C24 O3 C16 C2 -175.6(2) . . . . ?
C24 O3 C16 C15 3.8(4) . . . . ?
C25 O5 C28 C29 171.1(3) . . . . ?
C27 O6 C21 O7 2.6(4) . . . . ?
C27 O6 C21 C14 -176.3(3) . . . . ?
C28 O5 C25 C24 175.6(3) . . . . ?
C29 O8 C29 C28 172.1(4) 2_656 . . . ?
F4A P1 F5A F6A -89.4(7) 7_666 . . 7_666 ?
F4A P1 F5A F6A 90.6(7) . . . 7_666 ?
F4A P1 F6A F5A 90.0(7) 7_666 . . 7_666 ?
F4A P1 F6A F5A -90.0(7) . . . 7_666 ?
F5A P1 F6A F5A 180.002(1) . . . 7_666 ?
F6A P1 F5A F6A 179.999(1) . . . 7_666 ?

_olex2_submission_special_instructions 'No special instructions were received'
