# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_cupfp_2nd
_database_code_depnum_ccdc_archive 'CCDC 2110898'
loop_
_audit_author_name
_audit_author_address
'Kento Kosugi'
;Osaka university
Japan
;
_audit_update_record             
;
2021-09-20 deposited with the CCDC.	2022-01-04 downloaded from the CCDC.
;
_audit_creation_date             2021-06-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C44 H8 Cu F20 N4, 2(C2 H3 N)'
_chemical_formula_sum            'C48 H14 Cu F20 N6'
_chemical_formula_weight         1118.19
_chemical_melting_point          ?
_chemical_oxdiff_formula         C44H8F20N4Cu
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'
Cu Cu 0.3201 1.2651 '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'

_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                   13.9205(7)
_cell_length_b                   11.2461(5)
_cell_length_c                   15.0429(6)
_cell_angle_alpha                90
_cell_angle_beta                 115.758(5)
_cell_angle_gamma                90
_cell_volume                     2120.99(18)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8713
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.9580
_cell_measurement_theta_min      2.3630
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.650
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.64468
_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_crystal_colour            red
_exptl_crystal_density_diffrn    1.751
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1106
_exptl_crystal_size_max          1.043
_exptl_crystal_size_mid          0.308
_exptl_crystal_size_min          0.105
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0378
_diffrn_reflns_av_unetI/netI     0.0406
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.854
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            24245
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.854
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.086
_diffrn_reflns_theta_min         2.354
_diffrn_ambient_temperature      123(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.854
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -24.00  27.00   0.50   90.00    --  -11.26 -99.00 -60.00  102
  2  ω     34.00  59.00   0.50   90.00    --   12.36-161.00 -24.00   50
  3  ω     26.00  51.00   0.50   90.00    --   12.36-117.00 126.00   50
  4  ω    -25.00  21.00   0.50   90.00    --  -11.26 -99.00  30.00   92
  5  ω    -26.00  48.00   0.50   90.00    --   12.36 -99.00  60.00  148
  6  ω    -19.00  27.00   0.50   90.00    --  -11.26 -99.00-120.00   92
  7  ω    -66.00 -38.00   0.50   90.00    --  -11.26-178.00 -90.00   56
  8  ω    -76.00 -51.00   0.50   90.00    --  -11.26-178.00 -60.00   50
  9  ω    -44.00 -18.00   0.50   90.00    --  -11.26 117.00-146.00   52
 10  ω    -82.00 -57.00   0.50   90.00    --  -11.26 161.00   4.00   50
 11  ω     39.00  82.00   0.50   90.00    --   12.36 178.00  30.00   86
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'XtaLAB Synergy, Single source at offset/far, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0125725000
_diffrn_orient_matrix_UB_12      0.0614219000
_diffrn_orient_matrix_UB_13      -0.0075822000
_diffrn_orient_matrix_UB_21      -0.0500209000
_diffrn_orient_matrix_UB_22      -0.0112049000
_diffrn_orient_matrix_UB_23      0.0002823000
_diffrn_orient_matrix_UB_31      0.0233098000
_diffrn_orient_matrix_UB_32      0.0090965000
_diffrn_orient_matrix_UB_33      0.0517680000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3483
_reflns_number_total             5827
_reflns_odcompleteness_completeness 99.71
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_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 (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         0.725
_refine_diff_density_min         -0.297
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.160
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     402
_refine_ls_number_reflns         5827
_refine_ls_number_restraints     435
_refine_ls_R_factor_all          0.1455
_refine_ls_R_factor_gt           0.0954
_refine_ls_restrained_S_all      1.155
_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)+(0.0863P)²+2.7596P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2199
_refine_ls_wR_factor_ref         0.2428
_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
Uanis(C204) \\sim Ueq: with sigma of 0.05 and sigma for terminal atoms of 0.1
Uanis(F109) \\sim Ueq, Uanis(F210) \\sim Ueq, Uanis(F110) \\sim Ueq,
Uanis(C105) \\sim Ueq: with sigma of 0.05 and sigma for terminal atoms of 0.1
3. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Sof(C201)=Sof(C202)=Sof(C203)=Sof(C204)=Sof(C205)=Sof(C206)=Sof(F207)=
 Sof(F208)=Sof(F209)=Sof(F210)=Sof(F211)=1-FVAR(1)
 Sof(F107)=Sof(C106)=Sof(C101)=Sof(C102)=Sof(C103)=Sof(C104)=Sof(C105)=
 Sof(F108)=Sof(F110)=Sof(F111)=Sof(F109)=FVAR(1)
5.a Free rotating group:
 C201(C202,C203,C204,C205,C206,F207,F208,F209,F210,F211)
5.b Aromatic/amide H refined with riding coordinates:
 C00C(H00C), C00I(H00I), C00L(H00L), C00Q(H00Q)
5.c Fitted hexagon refined as free rotating group:
 C106(C101,C102,C103,C104,C105)
5.d Idealised Me refined as rotating group:
 C010(H01A,H01B,H01C)
;
_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
Cu01 Cu 0.5000 0.5000 0.5000 0.0578(3) Uani 1 2 d S TU P . .
F002 F 0.1479(2) 0.2465(3) 0.2534(2) 0.0741(8) Uani 1 1 d . U . . .
F003 F 0.2540(3) 0.5411(3) 0.0947(2) 0.0857(10) Uani 1 1 d . U . . .
F004 F -0.0249(2) 0.2027(3) 0.0837(3) 0.0910(10) Uani 1 1 d . U . . .
F005 F 0.0880(3) 0.4870(3) -0.0773(2) 0.0999(12) Uani 1 1 d . U . . .
F006 F -0.0551(3) 0.3218(3) -0.0825(2) 0.1062(13) Uani 1 1 d . U . . .
F107 F 0.2163(10) 0.8269(12) 0.5387(11) 0.088(3) Uani 0.514(16) 1 d . U . A 1
N008 N 0.5097(3) 0.5747(4) 0.6240(2) 0.0607(10) Uani 1 1 d . U . . .
N009 N 0.3414(3) 0.5203(4) 0.4389(2) 0.0593(10) Uani 1 1 d . U . . .
C00A C 0.2958(4) 0.4303(5) 0.2773(3) 0.0590(12) Uani 1 1 d . U . . .
C106 C 0.2263(9) 0.5587(12) 0.6728(8) 0.089(4) Uani 0.514(16) 1 d . U . A 1
C101 C 0.2484(7) 0.6419(11) 0.6159(7) 0.068(3) Uani 0.514(16) 1 d G U . A 1
C102 C 0.1982(8) 0.7522(10) 0.5971(8) 0.076(3) Uani 0.514(16) 1 d G U . A 1
C103 C 0.1260(8) 0.7792(13) 0.6352(10) 0.109(4) Uani 0.514(16) 1 d G U . A 1
C104 C 0.1039(7) 0.6959(17) 0.6921(8) 0.110(5) Uani 0.514(16) 1 d G U . A 1
C105 C 0.1541(9) 0.5857(16) 0.7109(7) 0.112(4) Uani 0.514(16) 1 d G U . A 1
C00C C 0.1630(4) 0.5169(5) 0.3295(3) 0.0639(12) Uani 1 1 d . U . . .
H00C H 0.1009 0.5045 0.2720 0.077 Uiso 1 1 calc R . . . .
C00D C 0.2691(3) 0.4870(4) 0.3454(3) 0.0577(11) Uani 1 1 d . U . . .
C00E C 0.6024(4) 0.5975(5) 0.7084(3) 0.0607(12) Uani 1 1 d . U . . .
C00F C 0.4285(4) 0.6168(5) 0.6423(3) 0.0669(13) Uani 1 1 d . U . . .
C00G C 0.3211(4) 0.6122(6) 0.5771(3) 0.0688(13) Uani 1 1 d . U . . .
C00H C 0.1343(4) 0.3089(5) 0.1740(3) 0.0631(12) Uani 1 1 d . U . . .
C00I C 0.5751(4) 0.6578(5) 0.7791(3) 0.0709(14) Uani 1 1 d . U . . .
H00I H 0.6231 0.6840 0.8413 0.085 Uiso 1 1 calc R . . . .
C00J C 0.2056(3) 0.3973(5) 0.1802(3) 0.0603(11) Uani 1 1 d . U . . .
C00K C 0.2811(4) 0.5677(5) 0.4809(3) 0.0644(12) Uani 1 1 d . U . . .
C00L C 0.1700(4) 0.5660(5) 0.4132(3) 0.0671(13) Uani 1 1 d . U . . .
H00L H 0.1137 0.5937 0.4252 0.081 Uiso 1 1 calc R . . . .
C00M C 0.0464(4) 0.2844(5) 0.0854(4) 0.0733(13) Uani 1 1 d . U . . .
C00O C 0.1885(4) 0.4548(5) 0.0941(3) 0.0692(13) Uani 1 1 d . U . . .
C00P C 0.0310(4) 0.3423(6) 0.0030(4) 0.0783(15) Uani 1 1 d . U . . .
C00Q C 0.4689(4) 0.6697(6) 0.7397(3) 0.0776(16) Uani 1 1 d . U . . .
H00Q H 0.4292 0.7048 0.7689 0.093 Uiso 1 1 calc R . . . .
C00R C 0.1018(5) 0.4279(6) 0.0048(3) 0.0781(15) Uani 1 1 d . U . . .
F108 F 0.0765(7) 0.8901(14) 0.6090(10) 0.126(4) Uani 0.514(16) 1 d . U . A 1
N00U N 0.0598(5) 0.3175(7) 0.5644(5) 0.123(2) Uani 1 1 d . U . . .
C00V C 0.1263(5) 0.2908(6) 0.5461(4) 0.0840(16) Uani 1 1 d . U . . .
F110 F 0.1347(10) 0.5123(18) 0.7689(8) 0.146(5) Uani 0.514(16) 1 d . U . A 1
C010 C 0.2117(7) 0.2611(9) 0.5224(6) 0.126(3) Uani 1 1 d . U . . .
H01A H 0.1849 0.2521 0.4523 0.189 Uiso 1 1 calc GR . . . .
H01B H 0.2437 0.1878 0.5543 0.189 Uiso 1 1 calc GR . . . .
H01C H 0.2641 0.3233 0.5447 0.189 Uiso 1 1 calc GR . . . .
F111 F 0.2729(9) 0.4538(13) 0.6962(8) 0.102(3) Uani 0.514(16) 1 d . U . A 1
F109 F 0.0377(8) 0.727(2) 0.7276(9) 0.156(6) Uani 0.514(16) 1 d . U . A 1
C201 C 0.2347(6) 0.6774(9) 0.6097(6) 0.077(3) Uani 0.486(16) 1 d . U . A 2
C202 C 0.1970(6) 0.7926(10) 0.5832(6) 0.080(4) Uani 0.486(16) 1 d G U . A 2
C203 C 0.1263(5) 0.8408(11) 0.6162(5) 0.091(4) Uani 0.486(16) 1 d G U . A 2
C204 C 0.0933(5) 0.7738(12) 0.6756(5) 0.102(4) Uani 0.486(16) 1 d G U . A 2
C205 C 0.1311(6) 0.6586(11) 0.7020(5) 0.092(4) Uani 0.486(16) 1 d G U . A 2
C206 C 0.2018(7) 0.6104(9) 0.6691(5) 0.082(3) Uani 0.486(16) 1 d G U . A 2
F207 F 0.2276(9) 0.8599(10) 0.5275(8) 0.092(4) Uani 0.486(16) 1 d G U . A 2
F208 F 0.0964(8) 0.9548(12) 0.5858(6) 0.122(4) Uani 0.486(16) 1 d G U . A 2
F209 F 0.0201(6) 0.8308(15) 0.7034(7) 0.139(5) Uani 0.486(16) 1 d G U . A 2
F210 F 0.0956(9) 0.6013(13) 0.7587(6) 0.136(5) Uani 0.486(16) 1 d G U . A 2
F211 F 0.2391(10) 0.5041(9) 0.6980(7) 0.101(4) Uani 0.486(16) 1 d G U . A 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
Cu01 N008 1.996(4) . ?
Cu01 N008 1.996(4) 3_666 ?
Cu01 N009 2.002(4) 3_666 ?
Cu01 N009 2.002(4) . ?
F002 C00H 1.326(6) . ?
F003 C00O 1.329(6) . ?
F004 C00M 1.344(6) . ?
F005 C00R 1.340(6) . ?
F006 C00P 1.344(5) . ?
F107 C102 1.316(13) . ?
N008 C00E 1.385(5) . ?
N008 C00F 1.360(6) . ?
N009 C00D 1.378(5) . ?
N009 C00K 1.359(6) . ?
C00A C00D 1.388(7) . ?
C00A C00E 1.375(7) 3_666 ?
C00A C00J 1.501(5) . ?
C106 C101 1.3900 . ?
C106 C105 1.3900 . ?
C106 F111 1.318(13) . ?
C101 C102 1.3900 . ?
C101 C00G 1.411(8) . ?
C102 C103 1.3900 . ?
C103 C104 1.3900 . ?
C103 F108 1.397(14) . ?
C104 C105 1.3900 . ?
C104 F109 1.300(10) . ?
C105 F110 1.312(12) . ?
C00C H00C 0.9300 . ?
C00C C00D 1.430(7) . ?
C00C C00L 1.339(7) . ?
C00E C00A 1.375(7) 3_666 ?
C00E C00I 1.443(7) . ?
C00F C00G 1.387(6) . ?
C00F C00Q 1.450(6) . ?
C00G C00K 1.398(6) . ?
C00G C201 1.655(9) . ?
C00H C00J 1.378(7) . ?
C00H C00M 1.391(6) . ?
C00I H00I 0.9300 . ?
C00I C00Q 1.339(7) . ?
C00J C00O 1.372(7) . ?
C00K C00L 1.436(6) . ?
C00L H00L 0.9300 . ?
C00M C00P 1.332(8) . ?
C00O C00R 1.394(6) . ?
C00P C00R 1.370(9) . ?
C00Q H00Q 0.9300 . ?
N00U C00V 1.115(8) . ?
C00V C010 1.422(9) . ?
C010 H01A 0.9600 . ?
C010 H01B 0.9600 . ?
C010 H01C 0.9600 . ?
C201 C202 1.3899 . ?
C201 C206 1.3899 . ?
C202 C203 1.3899 . ?
C202 F207 1.3301 . ?
C203 C204 1.3901 . ?
C203 F208 1.3636 . ?
C204 C205 1.3899 . ?
C204 F209 1.4123 . ?
C205 C206 1.3899 . ?
C205 F210 1.3240 . ?
C206 F211 1.3012 . ?

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
N008 Cu01 N008 180.0 . 3_666 ?
N008 Cu01 N009 90.34(15) 3_666 . ?
N008 Cu01 N009 89.66(15) 3_666 3_666 ?
N008 Cu01 N009 89.66(15) . . ?
N008 Cu01 N009 90.34(15) . 3_666 ?
N009 Cu01 N009 180.0 . 3_666 ?
C00E N008 Cu01 126.4(3) . . ?
C00F N008 Cu01 127.7(3) . . ?
C00F N008 C00E 105.9(4) . . ?
C00D N009 Cu01 127.4(3) . . ?
C00K N009 Cu01 127.7(3) . . ?
C00K N009 C00D 104.8(4) . . ?
C00D C00A C00J 116.9(4) . . ?
C00E C00A C00D 125.3(4) 3_666 . ?
C00E C00A C00J 117.7(4) 3_666 . ?
C101 C106 C105 120.0 . . ?
F111 C106 C101 123.5(7) . . ?
F111 C106 C105 116.5(7) . . ?
C106 C101 C00G 119.1(7) . . ?
C102 C101 C106 120.0 . . ?
C102 C101 C00G 120.9(7) . . ?
F107 C102 C101 118.7(7) . . ?
F107 C102 C103 121.2(7) . . ?
C103 C102 C101 120.0 . . ?
C102 C103 F108 115.8(9) . . ?
C104 C103 C102 120.0 . . ?
C104 C103 F108 124.1(8) . . ?
C103 C104 C105 120.0 . . ?
F109 C104 C103 117.2(12) . . ?
F109 C104 C105 122.7(12) . . ?
C104 C105 C106 120.0 . . ?
F110 C105 C106 122.1(10) . . ?
F110 C105 C104 117.8(10) . . ?
C00D C00C H00C 126.5 . . ?
C00L C00C H00C 126.5 . . ?
C00L C00C C00D 107.0(4) . . ?
N009 C00D C00A 124.6(4) . . ?
N009 C00D C00C 110.5(4) . . ?
C00A C00D C00C 124.9(4) . . ?
N008 C00E C00I 108.9(4) . . ?
C00A C00E N008 125.9(4) 3_666 . ?
C00A C00E C00I 125.1(4) 3_666 . ?
N008 C00F C00G 125.4(4) . . ?
N008 C00F C00Q 110.8(4) . . ?
C00G C00F C00Q 123.8(5) . . ?
C00F C00G C101 116.4(6) . . ?
C00F C00G C00K 124.6(5) . . ?
C00F C00G C201 118.1(5) . . ?
C00K C00G C101 118.6(6) . . ?
C00K C00G C201 116.9(5) . . ?
F002 C00H C00J 120.3(4) . . ?
F002 C00H C00M 118.6(5) . . ?
C00J C00H C00M 121.1(5) . . ?
C00E C00I H00I 125.8 . . ?
C00Q C00I C00E 108.3(4) . . ?
C00Q C00I H00I 125.8 . . ?
C00H C00J C00A 121.1(4) . . ?
C00O C00J C00A 122.1(4) . . ?
C00O C00J C00H 116.8(4) . . ?
N009 C00K C00G 124.9(4) . . ?
N009 C00K C00L 111.0(4) . . ?
C00G C00K C00L 124.1(5) . . ?
C00C C00L C00K 106.7(5) . . ?
C00C C00L H00L 126.7 . . ?
C00K C00L H00L 126.7 . . ?
F004 C00M C00H 119.3(5) . . ?
C00P C00M F004 119.9(5) . . ?
C00P C00M C00H 120.9(5) . . ?
F003 C00O C00J 120.1(4) . . ?
F003 C00O C00R 118.0(5) . . ?
C00J C00O C00R 122.0(5) . . ?
F006 C00P C00R 118.3(5) . . ?
C00M C00P F006 121.6(6) . . ?
C00M C00P C00R 120.1(4) . . ?
C00F C00Q H00Q 127.0 . . ?
C00I C00Q C00F 106.0(5) . . ?
C00I C00Q H00Q 127.0 . . ?
F005 C00R C00O 119.9(6) . . ?
F005 C00R C00P 121.1(4) . . ?
C00P C00R C00O 119.1(5) . . ?
N00U C00V C010 178.0(9) . . ?
C00V C010 H01A 109.5 . . ?
C00V C010 H01B 109.5 . . ?
C00V C010 H01C 109.5 . . ?
H01A C010 H01B 109.5 . . ?
H01A C010 H01C 109.5 . . ?
H01B C010 H01C 109.5 . . ?
C202 C201 C00G 124.2(4) . . ?
C206 C201 C00G 115.8(4) . . ?
C206 C201 C202 120.0 . . ?
C201 C202 C203 120.0 . . ?
F207 C202 C201 121.7 . . ?
F207 C202 C203 118.3 . . ?
C202 C203 C204 120.0 . . ?
F208 C203 C202 114.1 . . ?
F208 C203 C204 125.9 . . ?
C203 C204 F209 115.3 . . ?
C205 C204 C203 120.0 . . ?
C205 C204 F209 124.7 . . ?
C206 C205 C204 120.0 . . ?
F210 C205 C204 115.9 . . ?
F210 C205 C206 124.1 . . ?
C201 C206 C205 120.0 . . ?
F211 C206 C201 121.2 . . ?
F211 C206 C205 118.7 . . ?

_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 1.540
_oxdiff_exptl_absorpt_empirical_full_min 0.514
