# Electronic Supplementary Material (ESI) for Materials Advances.
# 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. 
# 
#######################################################################

data_nishida_Comp2
_database_code_depnum_ccdc_archive 'CCDC 2101621'
loop_
_audit_author_name
_audit_author_address
'Jun-ichi Nishida'
;University of Hyogo
Japan
;
_audit_update_record             
;
2021-08-05 deposited with the CCDC.	2021-10-28 downloaded from the CCDC.
;
_audit_creation_date             2021-06-21
_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            Comp2
_chemical_name_systematic        CF3Ph_phthalimide_biselenophene
_chemical_formula_moiety         'C23 H12 F3 N O2 Se2'
_chemical_formula_sum            'C23 H12 F3 N O2 Se2'
_chemical_formula_weight         549.26
_chemical_absolute_configuration ?
_chemical_melting_point          >300
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.7943 1.1372 '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           7
_space_group_name_H-M_alt        'P 1 n 1'
_space_group_name_Hall           'P -2yac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y, z+1/2'

_cell_length_a                   5.77820(14)
_cell_length_b                   7.8504(2)
_cell_length_c                   42.3511(12)
_cell_angle_alpha                90
_cell_angle_beta                 91.026(3)
_cell_angle_gamma                90
_cell_volume                     1920.80(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    13415
_cell_measurement_temperature    93(1)
_cell_measurement_theta_max      78.5360
_cell_measurement_theta_min      2.1710
_shelx_estimated_absorpt_T_max   0.959
_shelx_estimated_absorpt_T_min   0.687
_exptl_absorpt_coefficient_mu    5.279
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.82189
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.89a (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    1.899
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.077
_exptl_crystal_size_mid          0.034
_exptl_crystal_size_min          0.008
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0320
_diffrn_reflns_av_unetI/netI     0.0339
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       53
_diffrn_reflns_limit_l_min       -53
_diffrn_reflns_number            23086
_diffrn_reflns_point_group_measured_fraction_full 0.777
_diffrn_reflns_point_group_measured_fraction_max 0.754
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         79.021
_diffrn_reflns_theta_min         4.176
_diffrn_ambient_temperature      93.15
_diffrn_detector_area_resol_mean 10.0
_diffrn_detector_type            'HPC area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     17.00 115.00   0.50    0.05    --   41.64  77.00-150.00  196
  2  ω     91.00 153.00   0.50    0.22    --  113.75  77.00-150.00  124
  3  ω    144.00 173.00   0.50    0.22    --  113.75  45.00-120.00   58
  4  ω     92.00 130.00   0.50    0.22    --  113.75  45.00 -90.00   76
  5  ω    113.00 138.00   0.50    0.22    --  113.75  45.00 -60.00   50
  6  ω     92.00 148.00   0.50    0.22    --  113.75  45.00  30.00  112
  7  ω    137.00 173.00   0.50    0.22    --  113.75  45.00  60.00   72
  8  ω    135.00 171.00   0.50    0.22    --  113.75  45.00  90.00   72
  9  ω     95.00 127.00   0.50    0.22    --  113.75  45.00  90.00   64
 10  ω     63.00 174.00   0.50    0.22    --  113.75  15.00-150.00  222
 11  ω    -32.00  39.00   0.50    0.05    --  -41.64  19.00 -60.00  142
 12  ω    -50.00 -22.00   0.50    0.22    --  -97.00  45.00-180.00   56
 13  ω    -51.00 -21.00   0.50    0.22    --  -97.00  45.00   0.00   60
 14  ω    -50.00 -24.00   0.50    0.22    --  -97.00  45.00  30.00   52
 15  ω    -51.00 -21.00   0.50    0.22    --  -97.00  45.00 120.00   60
 16  ω    -51.00 -21.00   0.50    0.22    --  -97.00  45.00 150.00   60
 17  ω    -33.00  -2.00   0.50    0.05    --  -41.64  19.00-180.00   62
 18  ω     68.00 115.00   0.50    0.05    --   41.64 137.00 -44.00   94
 19  ω    102.00 129.00   0.50    0.22    --  113.75 132.00 139.00   54
 20  ω     78.00 145.00   0.50    0.22    --  113.75 125.00   0.00  134
 21  ω     97.00 122.00   0.50    0.22    --  113.75 137.00 -44.00   50
 22  ω     82.00 164.00   0.50    0.22    --  113.75 125.00 -90.00  164
 23  ω     43.00  85.00   0.50    0.22    --  113.75 -77.00 -90.00   84
 24  ω     45.00  70.00   0.50    0.22    --  113.75 -61.00-150.00   50
 25  ω     45.00  70.00   0.50    0.22    --  113.75 -61.00 -90.00   50
 26  ω     56.00  98.00   0.50    0.22    --  113.75 -77.00 -60.00   84
 27  ω      0.00  34.00   0.50    0.05    --   41.64 -19.00  90.00   68
 28  ω     43.00  70.00   0.50    0.22    --  113.75 -61.00  90.00   54
 29  ω     41.00  71.00   0.50    0.22    --  113.75 -61.00  30.00   60
 30  ω     39.00  66.00   0.50    0.22    --  113.75-103.00  58.88   54
 31  ω     62.00  92.00   0.50    0.22    --  113.75-142.00  55.33   60
 32  ω    100.00 125.00   0.50    0.22    --  113.75-142.00  55.33   50
 33  ω     78.00 103.00   0.50    0.22    --  113.75-132.00  69.00   50
 34  ω     22.00  99.00   0.50    0.05    --   41.64-132.00  69.00  154
 35  ω     62.00 127.00   0.50    0.22    --  113.75-145.00-107.43  130
 36  ω     80.00 106.00   0.50    0.22    --  113.75-137.00-107.00   52
 37  ω     82.00 108.00   0.50    0.22    --  113.75-110.00 -78.27   52
 38  ω     51.00  90.00   0.50    0.05    --   41.64-137.00-107.00   78
 39  ω     57.00 108.00   0.50    0.22    --  113.75-112.00  51.83  102
 40  ω     56.00 107.00   0.50    0.22    --  113.75-107.00  99.58  102
 41  ω     66.00 107.00   0.50    0.22    --  113.75-113.00 163.58   82
 42  ω     82.00 107.00   0.50    0.22    --  113.75-105.00 155.52   50
 43  ω     62.00 108.00   0.50    0.22    --  113.75-109.00 122.63   92
 44  ω     82.00 107.00   0.50    0.22    --  113.75-103.00  58.88   50
 45  ω     80.00 106.00   0.50    0.22    --  113.75-103.00 -34.36   52
 46  ω     46.00  71.00   0.50    0.22    --  113.75-103.00 -74.25   50
 47  ω     74.00 107.00   0.50    0.22    --  113.75-103.00 -74.25   66
 48  ω     42.00 107.00   0.50    0.22    --  113.75-104.00-129.57  130
 49  ω   -112.00 -67.00   0.50    0.05    --  -41.64 -57.00 150.00   90
 50  ω   -149.00-124.00   0.50    0.22    --  -97.00-132.00  69.00   50
 51  ω   -129.00 -75.00   0.50    0.22    --  -97.00-137.00-107.00  108
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Rigaku XtaLAB Synergy-Custom'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.530
_reflns_Friedel_fraction_full    0.555
_reflns_Friedel_fraction_max     0.523
_reflns_number_gt                5913
_reflns_number_total             6272
_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 1.171.41.89a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.89a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.89a (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 (Sheldrick, 2015)'
_refine_diff_density_max         1.000
_refine_diff_density_min         -0.762
_refine_diff_density_rms         0.099
_refine_ls_abs_structure_details 
;
 Flack x determined using 1889 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.019(14)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     606
_refine_ls_number_reflns         6272
_refine_ls_number_restraints     263
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0339
_refine_ls_restrained_S_all      1.064
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0465P)²+3.4549P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0909
_refine_ls_wR_factor_ref         0.0921
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 F2-C23 \\sim F3-C23 \\sim F3A-C23 \\sim F1A-C23 \\sim F1-C23
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
F4 \\sim F6 \\sim C46 \\sim F5 \\sim F4A \\sim F6A \\sim F5A: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.01 within 2A
C36 \\sim C37 \\sim C38 \\sim C39 \\sim Se4: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.01 within 2A
F2 \\sim F3 \\sim F1 \\sim C23 \\sim F1A \\sim F3A: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.01 within 2A
4. Rigid body (RIGU) restrains
 F4, F6, C46, F5, F4A, F6A, F5A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 Se4, C37, C36, C38, C39
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 F2, F3, F1, C23, F1A, F3A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(F4A)=Sof(F6A)=Sof(F5A)=1-FVAR(1)
 Sof(F4)=Sof(F6)=Sof(F5)=FVAR(1)
 Sof(F1A)=Sof(F3A)=1-FVAR(2)
 Sof(F3)=Sof(F1)=FVAR(2)
6.a Aromatic/amide H refined with riding coordinates:
 C34(H34), C37(H37), C26(H26), C14(H14), C33(H33), C11(H11), C44(H44), C3(H3),
 C18(H18), C22(H22), C10(H10), C21(H21), C29(H29), C15(H15), C45(H45), C19(H19),
  C42(H42), C41(H41), C6(H6), C38(H38), C16(H16), C5(H5), C28(H28), C39(H39)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Se3 Se 0.29346(11) 0.75323(8) 0.60674(2) 0.01477(14) Uani 1 1 d . . . . .
Se1 Se 0.79196(10) 0.09042(7) 0.60800(2) 0.01436(14) Uani 1 1 d . . . . .
Se4 Se -0.26848(12) 0.58454(9) 0.67779(2) 0.02290(18) Uani 1 1 d . U . . .
Se2 Se 0.23328(12) 0.26201(9) 0.67962(2) 0.02144(18) Uani 1 1 d . . . . .
O1 O 0.5807(7) 0.3218(5) 0.44145(9) 0.0158(8) Uani 1 1 d . . . . .
O4 O 0.7656(7) 0.8182(5) 0.43825(10) 0.0162(8) Uani 1 1 d . . . . .
O3 O 0.0788(7) 0.5239(5) 0.44065(9) 0.0167(8) Uani 1 1 d . . . . .
O2 O 1.2674(7) 0.0265(5) 0.43989(9) 0.0173(8) Uani 1 1 d . . . . .
C12 C 0.6851(11) 0.1881(7) 0.56956(14) 0.0114(11) Uani 1 1 d . . . . .
N1 N 0.9223(9) 0.1762(6) 0.43198(11) 0.0142(9) Uani 1 1 d . . . . .
N2 N 0.4208(9) 0.6700(6) 0.43073(11) 0.0147(9) Uani 1 1 d . . . . .
C34 C -0.0147(13) 0.5673(8) 0.57385(16) 0.0155(13) Uani 1 1 d . . . . .
H34 H -0.092628 0.508024 0.557245 0.019 Uiso 1 1 calc R U . . .
C1 C 0.7506(10) 0.2457(6) 0.45079(12) 0.0140(10) Uani 1 1 d . . . . .
C37 C 0.1259(13) 0.7703(8) 0.68286(19) 0.0177(14) Uani 1 1 d . U . . .
H37 H 0.265564 0.828501 0.678314 0.021 Uiso 1 1 calc R U . . .
C13 C 0.4914(12) 0.1618(8) 0.66075(17) 0.0168(13) Uani 1 1 d . . . . .
C4 C 0.8074(10) 0.1720(6) 0.54031(12) 0.0136(10) Uani 1 1 d . . . . .
C7 C 1.0331(10) 0.1205(6) 0.48352(13) 0.0147(10) Uani 1 1 d . . . . .
F2 F 0.8357(13) 0.0309(8) 0.28614(11) 0.0654(16) Uani 1 1 d D U . . .
C30 C 0.5324(10) 0.7214(7) 0.48211(13) 0.0155(10) Uani 1 1 d . . . . .
C35 C 0.1875(12) 0.6523(8) 0.56850(16) 0.0180(13) Uani 1 1 d . . . . .
C26 C 0.2096(10) 0.6085(7) 0.51067(13) 0.0152(10) Uani 1 1 d . . . . .
H26 H 0.066712 0.548655 0.510811 0.018 Uiso 1 1 calc R U . . .
C24 C 0.2487(10) 0.5992(7) 0.44971(12) 0.0153(11) Uani 1 1 d . . . . .
C25 C 0.3241(10) 0.6374(7) 0.48294(13) 0.0151(10) Uani 1 1 d . . . . .
C14 C 0.6251(14) 0.0788(8) 0.68288(17) 0.0165(14) Uani 1 1 d . . . . .
H14 H 0.762349 0.019615 0.677519 0.020 Uiso 1 1 calc R U . . .
C27 C 0.3121(10) 0.6710(6) 0.53891(12) 0.0136(10) Uani 1 1 d . . . . .
C2 C 0.8222(10) 0.2052(7) 0.48405(12) 0.0133(10) Uani 1 1 d . . . . .
C33 C -0.1048(14) 0.5697(9) 0.60459(18) 0.0196(15) Uani 1 1 d . . . . .
H33 H -0.245224 0.514969 0.610011 0.023 Uiso 1 1 calc R U . . .
C11 C 0.4800(13) 0.2737(8) 0.57474(17) 0.0159(13) Uani 1 1 d . . . . .
H11 H 0.399329 0.331086 0.558146 0.019 Uiso 1 1 calc R U . . .
C9 C 0.5313(11) 0.1839(7) 0.62754(15) 0.0133(12) Uani 1 1 d . . . . .
F4 F 0.337(3) 0.8494(19) 0.2865(3) 0.049(2) Uani 0.60(2) 1 d . U P A 1
C44 C 0.2009(13) 0.7435(8) 0.34939(15) 0.0229(14) Uani 1 1 d . . . . .
H44 H 0.068751 0.789581 0.338823 0.027 Uiso 1 1 calc R U . . .
C3 C 0.7055(10) 0.2325(7) 0.51188(12) 0.0141(10) Uani 1 1 d . . . . .
H3 H 0.561039 0.290360 0.511855 0.017 Uiso 1 1 calc R U . . .
C18 C 1.1073(12) 0.2451(8) 0.38287(15) 0.0200(12) Uani 1 1 d . . . . .
H18 H 1.236282 0.290029 0.394324 0.024 Uiso 1 1 calc R U . . .
C32 C 0.0313(11) 0.6598(8) 0.62614(15) 0.0131(12) Uani 1 1 d . . . . .
C36 C -0.0085(12) 0.6857(8) 0.65930(15) 0.0152(12) Uani 1 1 d . U . . .
C22 C 0.7274(11) 0.1135(7) 0.38253(13) 0.0184(11) Uani 1 1 d . . . . .
H22 H 0.600090 0.069491 0.393838 0.022 Uiso 1 1 calc R U . . .
F3 F 1.1295(18) 0.1832(15) 0.2863(2) 0.053(2) Uani 0.675(17) 1 d D U P B 1
F6 F 0.570(2) 0.6411(18) 0.2834(2) 0.050(2) Uani 0.60(2) 1 d . U P A 1
C10 C 0.3963(12) 0.2717(8) 0.60589(16) 0.0135(13) Uani 1 1 d . . . . .
H10 H 0.256651 0.326982 0.611507 0.016 Uiso 1 1 calc R U . . .
C40 C 0.4075(11) 0.6714(7) 0.39709(12) 0.0161(10) Uani 1 1 d . . . . .
C21 C 0.7243(13) 0.1131(8) 0.34960(15) 0.0259(13) Uani 1 1 d . . . . .
H21 H 0.595026 0.068818 0.338112 0.031 Uiso 1 1 calc R U . . .
C29 C 0.6435(10) 0.7768(7) 0.50973(13) 0.0153(10) Uani 1 1 d . . . . .
H29 H 0.790820 0.830356 0.509386 0.018 Uiso 1 1 calc R U . . .
C31 C 0.5984(11) 0.7453(7) 0.44866(13) 0.0141(11) Uani 1 1 d . . . . .
C15 C 0.5448(15) 0.0870(9) 0.71464(18) 0.0233(16) Uani 1 1 d . . . . .
H15 H 0.624519 0.034810 0.731897 0.028 Uiso 1 1 calc R U . . .
C45 C 0.2131(11) 0.7396(7) 0.38227(14) 0.0191(11) Uani 1 1 d . . . . .
H45 H 0.089625 0.783214 0.394370 0.023 Uiso 1 1 calc R U . . .
C19 C 1.1033(14) 0.2441(8) 0.34969(15) 0.0258(14) Uani 1 1 d . . . . .
H19 H 1.230484 0.288300 0.338385 0.031 Uiso 1 1 calc R U . . .
C42 C 0.5779(12) 0.6119(8) 0.34708(14) 0.0236(12) Uani 1 1 d . . . . .
H42 H 0.701666 0.569563 0.334863 0.028 Uiso 1 1 calc R U . . .
C41 C 0.5914(11) 0.6063(7) 0.38021(13) 0.0188(11) Uani 1 1 d . . . . .
H41 H 0.722963 0.559336 0.390795 0.023 Uiso 1 1 calc R U . . .
C6 C 1.1405(10) 0.0650(7) 0.51118(13) 0.0151(10) Uani 1 1 d . . . . .
H6 H 1.287420 0.010682 0.510897 0.018 Uiso 1 1 calc R U . . .
C38 C 0.0376(16) 0.7613(10) 0.7130(2) 0.0269(16) Uani 1 1 d . U . . .
H38 H 0.111230 0.815115 0.730594 0.032 Uiso 1 1 calc R U . . .
C16 C 0.3483(13) 0.1742(9) 0.71794(16) 0.0232(15) Uani 1 1 d . . . . .
H16 H 0.274711 0.190088 0.737602 0.028 Uiso 1 1 calc R U . . .
C5 C 1.0255(10) 0.0915(6) 0.53944(13) 0.0148(11) Uani 1 1 d . . . . .
H5 H 1.096117 0.054343 0.558661 0.018 Uiso 1 1 calc R U . . .
C20 C 0.9151(13) 0.1791(8) 0.33375(14) 0.0260(14) Uani 1 1 d . . . . .
C28 C 0.5271(11) 0.7495(6) 0.53807(14) 0.0154(11) Uani 1 1 d . . . . .
H28 H 0.597755 0.786038 0.557328 0.018 Uiso 1 1 calc R U . . .
C8 C 1.1010(10) 0.0989(6) 0.45006(12) 0.0131(10) Uani 1 1 d . . . . .
C46 C 0.3674(16) 0.6871(11) 0.29674(16) 0.0398(15) Uani 1 1 d . U . . .
C17 C 0.9184(11) 0.1788(7) 0.39851(13) 0.0164(11) Uani 1 1 d . . . . .
C43 C 0.3826(12) 0.6796(8) 0.33236(14) 0.0231(13) Uani 1 1 d . . . . .
F5 F 0.202(3) 0.597(2) 0.2853(3) 0.063(3) Uani 0.60(2) 1 d . U P A 1
F1 F 0.813(2) 0.3163(12) 0.28591(17) 0.061(3) Uani 0.675(17) 1 d D U P B 1
C23 C 0.9076(16) 0.1776(10) 0.29821(16) 0.0470(17) Uani 1 1 d D U . . .
C39 C -0.1573(16) 0.6725(10) 0.71572(18) 0.0308(16) Uani 1 1 d . U . . .
H39 H -0.232192 0.655701 0.735264 0.037 Uiso 1 1 calc R U . . .
F4A F 0.425(4) 0.836(3) 0.2855(6) 0.053(3) Uani 0.40(2) 1 d . U P A 2
F6A F 0.482(4) 0.570(3) 0.2821(3) 0.057(3) Uani 0.40(2) 1 d . U P A 2
F5A F 0.140(3) 0.670(3) 0.2858(4) 0.050(3) Uani 0.40(2) 1 d . U P A 2
F1A F 0.693(4) 0.240(3) 0.2881(4) 0.059(3) Uani 0.325(17) 1 d D U P B 2
F3A F 1.073(4) 0.253(3) 0.2846(5) 0.060(3) Uani 0.325(17) 1 d D U P 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
Se3 C35 1.895(7) . ?
Se3 C32 1.885(7) . ?
Se1 C12 1.893(6) . ?
Se1 C9 1.880(7) . ?
Se4 C36 1.882(7) . ?
Se4 C39 1.853(8) . ?
Se2 C13 1.877(7) . ?
Se2 C16 1.874(7) . ?
O1 C1 1.210(7) . ?
O4 C31 1.212(8) . ?
O3 C24 1.203(7) . ?
O2 C8 1.203(7) . ?
C12 C4 1.443(8) . ?
C12 C11 1.383(9) . ?
N1 C1 1.394(7) . ?
N1 C8 1.412(7) . ?
N1 C17 1.417(7) . ?
N2 C24 1.404(7) . ?
N2 C40 1.426(6) . ?
N2 C31 1.397(8) . ?
C34 H34 0.9500 . ?
C34 C35 1.368(11) . ?
C34 C33 1.411(11) . ?
C1 C2 1.495(7) . ?
C37 H37 0.9500 . ?
C37 C36 1.419(11) . ?
C37 C38 1.386(12) . ?
C13 C14 1.369(10) . ?
C13 C9 1.440(10) . ?
C4 C3 1.413(7) . ?
C4 C5 1.410(8) . ?
C7 C2 1.389(8) . ?
C7 C6 1.386(8) . ?
C7 C8 1.487(7) . ?
F2 C23 1.324(9) . ?
C30 C25 1.373(8) . ?
C30 C29 1.394(8) . ?
C30 C31 1.486(8) . ?
C35 C27 1.464(9) . ?
C26 H26 0.9500 . ?
C26 C25 1.377(8) . ?
C26 C27 1.413(8) . ?
C24 C25 1.496(7) . ?
C14 H14 0.9500 . ?
C14 C15 1.432(11) . ?
C27 C28 1.388(8) . ?
C2 C3 1.385(7) . ?
C33 H33 0.9500 . ?
C33 C32 1.388(10) . ?
C11 H11 0.9500 . ?
C11 C10 1.414(10) . ?
C9 C10 1.378(9) . ?
F4 C46 1.356(17) . ?
C44 H44 0.9500 . ?
C44 C45 1.393(8) . ?
C44 C43 1.379(10) . ?
C3 H3 0.9500 . ?
C18 H18 0.9500 . ?
C18 C19 1.405(9) . ?
C18 C17 1.388(8) . ?
C32 C36 1.441(9) . ?
C22 H22 0.9500 . ?
C22 C21 1.395(8) . ?
C22 C17 1.383(9) . ?
F3 C23 1.388(12) . ?
F6 C46 1.356(14) . ?
C10 H10 0.9500 . ?
C40 C45 1.384(9) . ?
C40 C41 1.389(8) . ?
C21 H21 0.9500 . ?
C21 C20 1.400(10) . ?
C29 H29 0.9500 . ?
C29 C28 1.402(8) . ?
C15 H15 0.9500 . ?
C15 C16 1.335(11) . ?
C45 H45 0.9500 . ?
C19 H19 0.9500 . ?
C19 C20 1.368(11) . ?
C42 H42 0.9500 . ?
C42 C41 1.405(8) . ?
C42 C43 1.385(10) . ?
C41 H41 0.9500 . ?
C6 H6 0.9500 . ?
C6 C5 1.395(8) . ?
C38 H38 0.9500 . ?
C38 C39 1.331(13) . ?
C16 H16 0.9500 . ?
C5 H5 0.9500 . ?
C20 C23 1.505(8) . ?
C28 H28 0.9500 . ?
C46 C43 1.511(8) . ?
C46 F5 1.276(15) . ?
C46 F4A 1.31(3) . ?
C46 F6A 1.294(18) . ?
C46 F5A 1.39(2) . ?
F1 C23 1.322(10) . ?
C23 F1A 1.396(16) . ?
C23 F3A 1.273(17) . ?
C39 H39 0.9500 . ?

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
C32 Se3 C35 87.7(3) . . ?
C9 Se1 C12 88.2(3) . . ?
C39 Se4 C36 86.4(4) . . ?
C16 Se2 C13 86.7(3) . . ?
C4 C12 Se1 123.1(4) . . ?
C11 C12 Se1 109.1(5) . . ?
C11 C12 C4 127.8(6) . . ?
C1 N1 C8 112.3(4) . . ?
C1 N1 C17 124.5(5) . . ?
C8 N1 C17 123.2(5) . . ?
C24 N2 C40 123.3(5) . . ?
C31 N2 C24 112.2(5) . . ?
C31 N2 C40 124.4(5) . . ?
C35 C34 H34 120.8 . . ?
C35 C34 C33 118.5(7) . . ?
C33 C34 H34 120.8 . . ?
O1 C1 N1 126.0(5) . . ?
O1 C1 C2 128.5(5) . . ?
N1 C1 C2 105.5(5) . . ?
C36 C37 H37 122.6 . . ?
C38 C37 H37 122.6 . . ?
C38 C37 C36 114.7(7) . . ?
C14 C13 Se2 110.5(5) . . ?
C14 C13 C9 128.9(6) . . ?
C9 C13 Se2 120.5(5) . . ?
C3 C4 C12 119.9(5) . . ?
C5 C4 C12 120.9(5) . . ?
C5 C4 C3 119.2(5) . . ?
C2 C7 C8 108.5(5) . . ?
C6 C7 C2 121.1(5) . . ?
C6 C7 C8 130.4(5) . . ?
C25 C30 C29 121.2(5) . . ?
C25 C30 C31 109.0(5) . . ?
C29 C30 C31 129.7(6) . . ?
C34 C35 Se3 109.1(5) . . ?
C34 C35 C27 128.7(6) . . ?
C27 C35 Se3 122.3(5) . . ?
C25 C26 H26 121.2 . . ?
C25 C26 C27 117.6(5) . . ?
C27 C26 H26 121.2 . . ?
O3 C24 N2 126.5(5) . . ?
O3 C24 C25 128.4(5) . . ?
N2 C24 C25 105.2(5) . . ?
C30 C25 C26 122.4(5) . . ?
C30 C25 C24 108.2(5) . . ?
C26 C25 C24 129.2(5) . . ?
C13 C14 H14 122.2 . . ?
C13 C14 C15 115.7(7) . . ?
C15 C14 H14 122.2 . . ?
C26 C27 C35 119.0(5) . . ?
C28 C27 C35 121.4(5) . . ?
C28 C27 C26 119.6(5) . . ?
C7 C2 C1 108.3(5) . . ?
C3 C2 C1 129.7(5) . . ?
C3 C2 C7 121.9(5) . . ?
C34 C33 H33 123.2 . . ?
C32 C33 C34 113.5(8) . . ?
C32 C33 H33 123.2 . . ?
C12 C11 H11 121.6 . . ?
C12 C11 C10 116.8(6) . . ?
C10 C11 H11 121.6 . . ?
C13 C9 Se1 121.8(5) . . ?
C10 C9 Se1 110.5(5) . . ?
C10 C9 C13 127.7(6) . . ?
C45 C44 H44 120.3 . . ?
C43 C44 H44 120.3 . . ?
C43 C44 C45 119.3(6) . . ?
C4 C3 H3 121.0 . . ?
C2 C3 C4 118.1(5) . . ?
C2 C3 H3 121.0 . . ?
C19 C18 H18 120.8 . . ?
C17 C18 H18 120.8 . . ?
C17 C18 C19 118.4(6) . . ?
C33 C32 Se3 111.2(5) . . ?
C33 C32 C36 127.9(7) . . ?
C36 C32 Se3 120.9(5) . . ?
C37 C36 Se4 109.6(5) . . ?
C37 C36 C32 131.0(7) . . ?
C32 C36 Se4 119.2(5) . . ?
C21 C22 H22 120.5 . . ?
C17 C22 H22 120.5 . . ?
C17 C22 C21 119.1(6) . . ?
C11 C10 H10 122.4 . . ?
C9 C10 C11 115.3(6) . . ?
C9 C10 H10 122.4 . . ?
C45 C40 N2 119.0(5) . . ?
C45 C40 C41 122.1(5) . . ?
C41 C40 N2 118.9(5) . . ?
C22 C21 H21 120.6 . . ?
C22 C21 C20 118.8(6) . . ?
C20 C21 H21 120.6 . . ?
C30 C29 H29 121.6 . . ?
C30 C29 C28 116.7(6) . . ?
C28 C29 H29 121.6 . . ?
O4 C31 N2 125.8(5) . . ?
O4 C31 C30 128.8(6) . . ?
N2 C31 C30 105.4(5) . . ?
C14 C15 H15 122.8 . . ?
C16 C15 C14 114.3(7) . . ?
C16 C15 H15 122.8 . . ?
C44 C45 H45 120.4 . . ?
C40 C45 C44 119.2(6) . . ?
C40 C45 H45 120.4 . . ?
C18 C19 H19 120.2 . . ?
C20 C19 C18 119.6(7) . . ?
C20 C19 H19 120.2 . . ?
C41 C42 H42 120.3 . . ?
C43 C42 H42 120.3 . . ?
C43 C42 C41 119.4(6) . . ?
C40 C41 C42 118.3(6) . . ?
C40 C41 H41 120.9 . . ?
C42 C41 H41 120.9 . . ?
C7 C6 H6 121.1 . . ?
C7 C6 C5 117.7(5) . . ?
C5 C6 H6 121.1 . . ?
C37 C38 H38 122.2 . . ?
C39 C38 C37 115.6(8) . . ?
C39 C38 H38 122.2 . . ?
Se2 C16 H16 123.6 . . ?
C15 C16 Se2 112.8(5) . . ?
C15 C16 H16 123.6 . . ?
C4 C5 H5 119.0 . . ?
C6 C5 C4 121.9(5) . . ?
C6 C5 H5 119.0 . . ?
C21 C20 C23 117.9(7) . . ?
C19 C20 C21 121.8(6) . . ?
C19 C20 C23 120.3(7) . . ?
C27 C28 C29 122.2(5) . . ?
C27 C28 H28 118.9 . . ?
C29 C28 H28 118.9 . . ?
O2 C8 N1 126.2(5) . . ?
O2 C8 C7 128.4(5) . . ?
N1 C8 C7 105.4(4) . . ?
F4 C46 C43 111.1(9) . . ?
F6 C46 F4 103.1(9) . . ?
F6 C46 C43 111.7(8) . . ?
F5 C46 F4 107.8(11) . . ?
F5 C46 F6 109.9(10) . . ?
F5 C46 C43 112.7(8) . . ?
F4A C46 C43 112.9(13) . . ?
F4A C46 F5A 102.0(13) . . ?
F6A C46 C43 115.4(10) . . ?
F6A C46 F4A 109.0(14) . . ?
F6A C46 F5A 105.0(12) . . ?
F5A C46 C43 111.5(9) . . ?
C18 C17 N1 119.0(6) . . ?
C22 C17 N1 118.8(5) . . ?
C22 C17 C18 122.2(5) . . ?
C44 C43 C42 121.7(6) . . ?
C44 C43 C46 118.5(7) . . ?
C42 C43 C46 119.8(6) . . ?
F2 C23 F3 99.9(7) . . ?
F2 C23 C20 113.4(6) . . ?
F2 C23 F1A 85.3(12) . . ?
F3 C23 C20 110.7(7) . . ?
F1 C23 F2 116.1(8) . . ?
F1 C23 F3 102.1(9) . . ?
F1 C23 C20 113.1(6) . . ?
F1A C23 C20 108.3(9) . . ?
F3A C23 F2 117.5(13) . . ?
F3A C23 C20 116.2(12) . . ?
F3A C23 F1A 111.7(14) . . ?
Se4 C39 H39 123.2 . . ?
C38 C39 Se4 113.6(6) . . ?
C38 C39 H39 123.2 . . ?

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
Se3 C35 C27 C26 -173.0(4) . . . . ?
Se3 C35 C27 C28 6.6(7) . . . . ?
Se3 C32 C36 Se4 -178.3(3) . . . . ?
Se3 C32 C36 C37 -2.7(9) . . . . ?
Se1 C12 C4 C3 173.3(4) . . . . ?
Se1 C12 C4 C5 -4.8(8) . . . . ?
Se1 C12 C11 C10 0.2(8) . . . . ?
Se1 C9 C10 C11 -0.4(8) . . . . ?
Se2 C13 C14 C15 -0.6(8) . . . . ?
Se2 C13 C9 Se1 178.4(3) . . . . ?
Se2 C13 C9 C10 -1.3(10) . . . . ?
O1 C1 C2 C7 -178.2(6) . . . . ?
O1 C1 C2 C3 5.4(10) . . . . ?
O3 C24 C25 C30 178.1(5) . . . . ?
O3 C24 C25 C26 -6.0(9) . . . . ?
C12 Se1 C9 C13 -179.3(6) . . . . ?
C12 Se1 C9 C10 0.4(5) . . . . ?
C12 C4 C3 C2 -176.1(5) . . . . ?
C12 C4 C5 C6 176.0(5) . . . . ?
C12 C11 C10 C9 0.1(10) . . . . ?
N1 C1 C2 C7 2.1(6) . . . . ?
N1 C1 C2 C3 -174.3(6) . . . . ?
N2 C24 C25 C30 -1.6(6) . . . . ?
N2 C24 C25 C26 174.3(5) . . . . ?
N2 C40 C45 C44 179.1(5) . . . . ?
N2 C40 C41 C42 -178.7(5) . . . . ?
C34 C35 C27 C26 6.1(9) . . . . ?
C34 C35 C27 C28 -174.3(6) . . . . ?
C34 C33 C32 Se3 0.9(7) . . . . ?
C34 C33 C32 C36 -179.3(6) . . . . ?
C1 N1 C8 O2 178.4(5) . . . . ?
C1 N1 C8 C7 0.7(6) . . . . ?
C1 N1 C17 C18 126.1(6) . . . . ?
C1 N1 C17 C22 -54.6(8) . . . . ?
C1 C2 C3 C4 176.2(5) . . . . ?
C37 C38 C39 Se4 -1.2(9) . . . . ?
C13 Se2 C16 C15 -0.2(6) . . . . ?
C13 C14 C15 C16 0.5(10) . . . . ?
C13 C9 C10 C11 179.3(7) . . . . ?
C4 C12 C11 C10 -179.5(6) . . . . ?
C7 C2 C3 C4 0.2(8) . . . . ?
C7 C6 C5 C4 0.0(8) . . . . ?
C30 C29 C28 C27 0.2(8) . . . . ?
C35 Se3 C32 C33 -0.5(5) . . . . ?
C35 Se3 C32 C36 179.6(5) . . . . ?
C35 C34 C33 C32 -0.9(9) . . . . ?
C35 C27 C28 C29 -176.5(5) . . . . ?
C26 C27 C28 C29 3.0(8) . . . . ?
C24 N2 C40 C45 53.9(7) . . . . ?
C24 N2 C40 C41 -127.0(6) . . . . ?
C24 N2 C31 O4 -178.5(5) . . . . ?
C24 N2 C31 C30 -0.4(6) . . . . ?
C25 C30 C29 C28 -2.9(8) . . . . ?
C25 C30 C31 O4 177.4(6) . . . . ?
C25 C30 C31 N2 -0.7(6) . . . . ?
C25 C26 C27 C35 176.0(5) . . . . ?
C25 C26 C27 C28 -3.6(7) . . . . ?
C14 C13 C9 Se1 1.3(10) . . . . ?
C14 C13 C9 C10 -178.3(7) . . . . ?
C14 C15 C16 Se2 -0.1(9) . . . . ?
C27 C26 C25 C30 0.9(8) . . . . ?
C27 C26 C25 C24 -174.5(5) . . . . ?
C2 C7 C6 C5 2.3(8) . . . . ?
C2 C7 C8 O2 -177.0(6) . . . . ?
C2 C7 C8 N1 0.7(6) . . . . ?
C33 C34 C35 Se3 0.4(8) . . . . ?
C33 C34 C35 C27 -178.8(6) . . . . ?
C33 C32 C36 Se4 1.9(9) . . . . ?
C33 C32 C36 C37 177.4(7) . . . . ?
C11 C12 C4 C3 -7.1(9) . . . . ?
C11 C12 C4 C5 174.8(6) . . . . ?
C9 Se1 C12 C4 179.4(5) . . . . ?
C9 Se1 C12 C11 -0.3(5) . . . . ?
C9 C13 C14 C15 176.6(7) . . . . ?
F4 C46 C43 C44 57.3(12) . . . . ?
F4 C46 C43 C42 -121.7(10) . . . . ?
C3 C4 C5 C6 -2.1(8) . . . . ?
C18 C19 C20 C21 0.1(10) . . . . ?
C18 C19 C20 C23 179.8(6) . . . . ?
C32 Se3 C35 C34 0.1(5) . . . . ?
C32 Se3 C35 C27 179.3(5) . . . . ?
C36 Se4 C39 C38 0.7(6) . . . . ?
C36 C37 C38 C39 1.2(10) . . . . ?
C22 C21 C20 C19 -0.2(9) . . . . ?
C22 C21 C20 C23 -179.9(6) . . . . ?
F6 C46 C43 C44 171.8(9) . . . . ?
F6 C46 C43 C42 -7.3(12) . . . . ?
C40 N2 C24 O3 4.5(8) . . . . ?
C40 N2 C24 C25 -175.8(5) . . . . ?
C40 N2 C31 O4 -1.6(9) . . . . ?
C40 N2 C31 C30 176.6(5) . . . . ?
C21 C22 C17 N1 -178.9(5) . . . . ?
C21 C22 C17 C18 0.3(9) . . . . ?
C21 C20 C23 F2 -45.8(10) . . . . ?
C21 C20 C23 F3 -157.1(8) . . . . ?
C21 C20 C23 F1 89.0(11) . . . . ?
C21 C20 C23 F1A 47.0(14) . . . . ?
C21 C20 C23 F3A 173.6(15) . . . . ?
C29 C30 C25 C26 2.4(8) . . . . ?
C29 C30 C25 C24 178.6(5) . . . . ?
C29 C30 C31 O4 0.5(10) . . . . ?
C29 C30 C31 N2 -177.6(6) . . . . ?
C31 N2 C24 O3 -178.5(5) . . . . ?
C31 N2 C24 C25 1.2(6) . . . . ?
C31 N2 C40 C45 -122.8(6) . . . . ?
C31 N2 C40 C41 56.4(8) . . . . ?
C31 C30 C25 C26 -174.9(5) . . . . ?
C31 C30 C25 C24 1.4(6) . . . . ?
C31 C30 C29 C28 173.7(5) . . . . ?
C45 C44 C43 C42 -0.2(10) . . . . ?
C45 C44 C43 C46 -179.2(6) . . . . ?
C45 C40 C41 C42 0.4(9) . . . . ?
C19 C18 C17 N1 178.8(5) . . . . ?
C19 C18 C17 C22 -0.4(10) . . . . ?
C19 C20 C23 F2 134.5(8) . . . . ?
C19 C20 C23 F3 23.2(10) . . . . ?
C19 C20 C23 F1 -90.7(11) . . . . ?
C19 C20 C23 F1A -132.7(13) . . . . ?
C19 C20 C23 F3A -6.1(17) . . . . ?
C41 C40 C45 C44 0.0(9) . . . . ?
C41 C42 C43 C44 0.6(10) . . . . ?
C41 C42 C43 C46 179.6(6) . . . . ?
C6 C7 C2 C1 -179.1(5) . . . . ?
C6 C7 C2 C3 -2.4(9) . . . . ?
C6 C7 C8 O2 0.1(10) . . . . ?
C6 C7 C8 N1 177.8(6) . . . . ?
C38 C37 C36 Se4 -0.6(7) . . . . ?
C38 C37 C36 C32 -176.5(6) . . . . ?
C16 Se2 C13 C14 0.5(5) . . . . ?
C16 Se2 C13 C9 -177.1(6) . . . . ?
C5 C4 C3 C2 2.0(8) . . . . ?
C8 N1 C1 O1 178.6(5) . . . . ?
C8 N1 C1 C2 -1.7(6) . . . . ?
C8 N1 C17 C18 -55.1(8) . . . . ?
C8 N1 C17 C22 124.2(6) . . . . ?
C8 C7 C2 C1 -1.7(6) . . . . ?
C8 C7 C2 C3 175.0(5) . . . . ?
C8 C7 C6 C5 -174.5(5) . . . . ?
C17 N1 C1 O1 -2.5(9) . . . . ?
C17 N1 C1 C2 177.2(5) . . . . ?
C17 N1 C8 O2 -0.5(9) . . . . ?
C17 N1 C8 C7 -178.3(5) . . . . ?
C17 C18 C19 C20 0.2(10) . . . . ?
C17 C22 C21 C20 0.0(9) . . . . ?
C43 C44 C45 C40 -0.1(10) . . . . ?
C43 C42 C41 C40 -0.7(9) . . . . ?
F5 C46 C43 C44 -63.8(14) . . . . ?
F5 C46 C43 C42 117.1(13) . . . . ?
C39 Se4 C36 C37 0.0(5) . . . . ?
C39 Se4 C36 C32 176.4(5) . . . . ?
F4A C46 C43 C44 81.5(15) . . . . ?
F4A C46 C43 C42 -97.6(15) . . . . ?
F6A C46 C43 C44 -152.3(15) . . . . ?
F6A C46 C43 C42 28.7(17) . . . . ?
F5A C46 C43 C44 -32.6(14) . . . . ?
F5A C46 C43 C42 148.3(12) . . . . ?

_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
;
