#------------------------------------------------------------------------------
#$Date: 2017-04-05 12:59:04 +0300 (Wed, 05 Apr 2017) $
#$Revision: 195136 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/22/7042297.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7042297
loop_
_publ_author_name
'Szkop, Kevin M.'
'Stephan, Douglas W.'
_publ_section_title
;
 Metal-free pincer ligand chemistry polycationic phosphonium Lewis acids.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3921
_journal_page_last               3928
_journal_paper_doi               10.1039/c7dt00441a
_journal_volume                  46
_journal_year                    2017
_chemical_formula_sum            'C31 H27 B2 F10 N P2'
_chemical_formula_weight         687.09
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-02-27 deposited with the CCDC.
2017-03-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 130.351(7)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   28.205(3)
_cell_length_b                   15.0893(11)
_cell_length_c                   19.149(2)
_cell_measurement_reflns_used    9968
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      2.53
_cell_volume                     6210.8(12)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker Kappa APEX II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0474
_diffrn_reflns_av_unetI/netI     0.0380
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            49190
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.721
_diffrn_reflns_theta_min         2.129
_exptl_absorpt_coefficient_mu    0.224
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.470
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2800
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_exptl_transmission_factor_max   0.7456
_exptl_transmission_factor_min   0.6907
_refine_diff_density_max         0.361
_refine_diff_density_min         -0.388
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         7222
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0693
_refine_ls_R_factor_gt           0.0414
_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)+(0.0443P)²+5.6376P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0931
_refine_ls_wR_factor_ref         0.1048
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5163
_reflns_number_total             7222
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt00441a2.cif
_cod_data_source_block           q1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7042293--7042297.cif.
;
_cod_original_cell_volume        6210.9(11)
_cod_database_code               7042297
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.957
_shelx_estimated_absorpt_t_max   0.978
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'
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
P1 P 0.14676(2) 0.42912(3) 0.46773(3) 0.02593(12) Uani 1 1 d . . .
P2 P 0.07024(2) 0.19959(3) 0.62757(3) 0.02372(12) Uani 1 1 d . . .
F1 F 0.16218(6) 0.45427(8) 0.40586(9) 0.0407(3) Uani 1 1 d . . .
F2 F 0.11376(5) 0.17173(8) 0.60831(8) 0.0353(3) Uani 1 1 d . . .
F11 F 0.02480(8) 0.13784(12) 0.32505(10) 0.0714(5) Uani 1 1 d . . .
F12 F 0.04520(9) 0.24315(12) 0.26415(13) 0.0817(6) Uani 1 1 d . . .
F21 F 0.04760(7) 0.60140(10) 0.27143(10) 0.0557(4) Uani 1 1 d . . .
F22 F 0.02044(7) 0.70658(10) 0.32403(9) 0.0554(4) Uani 1 1 d . . .
F31 F 0.28281(7) -0.12490(9) 0.61034(9) 0.0505(4) Uani 1 1 d . . .
F32 F 0.27442(5) -0.13469(8) 0.71953(8) 0.0387(3) Uani 1 1 d . . .
F33 F 0.33486(5) -0.02853(8) 0.72932(8) 0.0359(3) Uani 1 1 d . . .
F34 F 0.23055(5) -0.01913(8) 0.61984(9) 0.0456(3) Uani 1 1 d . . .
B1 B 0.0000 0.1894(2) 0.2500 0.0366(8) Uani 1 2 d S T P
B2 B 0.0000 0.6551(2) 0.2500 0.0287(7) Uani 1 2 d S T P
B3 B 0.28077(10) -0.07678(15) 0.66928(15) 0.0285(5) Uani 1 1 d . . .
N1 N 0.06543(7) 0.37248(10) 0.50608(10) 0.0217(3) Uani 1 1 d . . .
C1 C 0.06449(9) 0.41747(14) 0.38424(13) 0.0292(4) Uani 1 1 d . . .
H1A H 0.0473 0.4701 0.3438 0.035 Uiso 1 1 calc R U .
H1B H 0.0549 0.3651 0.3459 0.035 Uiso 1 1 calc R U .
C2 C 0.07572(9) 0.31775(13) 0.63434(12) 0.0262(4) Uani 1 1 d . . .
H2A H 0.0614 0.3399 0.6667 0.031 Uiso 1 1 calc R U .
H2B H 0.1197 0.3355 0.6703 0.031 Uiso 1 1 calc R U .
C101 C 0.03703(8) 0.35940(12) 0.54055(13) 0.0237(4) Uani 1 1 d . . .
C102 C -0.02502(9) 0.38015(13) 0.49251(14) 0.0312(4) Uani 1 1 d . . .
H102 H -0.0439 0.3691 0.5185 0.037 Uiso 1 1 calc R U .
C103 C -0.05890(9) 0.41704(14) 0.40643(15) 0.0369(5) Uani 1 1 d . . .
H103 H -0.1013 0.4326 0.3726 0.044 Uiso 1 1 calc R U .
C104 C -0.03049(9) 0.43106(14) 0.37008(14) 0.0326(5) Uani 1 1 d . . .
H104 H -0.0528 0.4565 0.3110 0.039 Uiso 1 1 calc R U .
C105 C 0.03148(9) 0.40718(12) 0.42180(12) 0.0247(4) Uani 1 1 d . . .
C201 C 0.09892(9) 0.14924(13) 0.73110(13) 0.0283(4) Uani 1 1 d . . .
C202 C 0.07878(11) 0.06518(15) 0.73182(15) 0.0421(6) Uani 1 1 d . . .
H202 H 0.0466 0.0363 0.6759 0.050 Uiso 1 1 calc R U .
C203 C 0.10625(13) 0.02411(16) 0.81507(17) 0.0525(7) Uani 1 1 d . . .
H203 H 0.0924 -0.0328 0.8164 0.063 Uiso 1 1 calc R U .
C204 C 0.15334(11) 0.06560(16) 0.89525(15) 0.0441(6) Uani 1 1 d . . .
H204 H 0.1727 0.0366 0.9520 0.053 Uiso 1 1 calc R U .
C205 C 0.17295(11) 0.14831(17) 0.89479(14) 0.0437(6) Uani 1 1 d . . .
H205 H 0.2056 0.1763 0.9511 0.052 Uiso 1 1 calc R U .
C206 C 0.14574(10) 0.19137(16) 0.81321(14) 0.0381(5) Uani 1 1 d . . .
H206 H 0.1589 0.2493 0.8131 0.046 Uiso 1 1 calc R U .
C301 C -0.00372(8) 0.16102(13) 0.53153(12) 0.0256(4) Uani 1 1 d . . .
C302 C -0.01658(10) 0.15515(14) 0.44802(13) 0.0334(5) Uani 1 1 d . . .
H302 H 0.0150 0.1669 0.4447 0.040 Uiso 1 1 calc R U .
C303 C -0.07557(11) 0.13209(16) 0.37045(14) 0.0430(6) Uani 1 1 d . . .
H303 H -0.0850 0.1290 0.3130 0.052 Uiso 1 1 calc R U .
C304 C -0.12087(10) 0.11349(17) 0.37585(16) 0.0478(6) Uani 1 1 d . . .
H304 H -0.1613 0.0966 0.3222 0.057 Uiso 1 1 calc R U .
C305 C -0.10822(10) 0.11907(17) 0.45846(16) 0.0448(6) Uani 1 1 d . . .
H305 H -0.1398 0.1057 0.4614 0.054 Uiso 1 1 calc R U .
C306 C -0.04971(9) 0.14413(14) 0.53688(14) 0.0338(5) Uani 1 1 d . . .
H306 H -0.0411 0.1497 0.5936 0.041 Uiso 1 1 calc R U .
C401 C 0.18963(9) 0.33226(13) 0.52601(13) 0.0269(4) Uani 1 1 d . . .
C402 C 0.25460(10) 0.33855(15) 0.58820(15) 0.0352(5) Uani 1 1 d . . .
H402 H 0.2743 0.3942 0.5999 0.042 Uiso 1 1 calc R U .
C403 C 0.29000(10) 0.26313(16) 0.63247(15) 0.0399(5) Uani 1 1 d . . .
H403 H 0.3341 0.2665 0.6741 0.048 Uiso 1 1 calc R U .
C404 C 0.26074(11) 0.18324(15) 0.61573(15) 0.0384(5) Uani 1 1 d . . .
H404 H 0.2851 0.1320 0.6480 0.046 Uiso 1 1 calc R U .
C405 C 0.19681(11) 0.17610(14) 0.55315(16) 0.0376(5) Uani 1 1 d . . .
H405 H 0.1775 0.1200 0.5412 0.045 Uiso 1 1 calc R U .
C406 C 0.16070(10) 0.25117(13) 0.50760(15) 0.0314(4) Uani 1 1 d . . .
H406 H 0.1166 0.2469 0.4643 0.038 Uiso 1 1 calc R U .
C501 C 0.17266(9) 0.52084(13) 0.54135(14) 0.0271(4) Uani 1 1 d . . .
C502 C 0.16194(10) 0.60575(14) 0.50459(16) 0.0368(5) Uani 1 1 d . . .
H502 H 0.1406 0.6137 0.4412 0.044 Uiso 1 1 calc R U .
C503 C 0.18296(12) 0.67775(15) 0.56201(19) 0.0484(6) Uani 1 1 d . . .
H503 H 0.1754 0.7359 0.5378 0.058 Uiso 1 1 calc R U .
C504 C 0.21510(11) 0.66615(16) 0.65467(18) 0.0462(6) Uani 1 1 d . . .
H504 H 0.2299 0.7164 0.6936 0.055 Uiso 1 1 calc R U .
C505 C 0.22582(10) 0.58253(15) 0.69082(16) 0.0396(5) Uani 1 1 d . . .
H505 H 0.2480 0.5751 0.7545 0.048 Uiso 1 1 calc R U .
C506 C 0.20421(10) 0.50930(14) 0.63424(14) 0.0323(5) Uani 1 1 d . . .
H506 H 0.2108 0.4514 0.6586 0.039 Uiso 1 1 calc R U .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
F1 P1 C401 105.69(8) . .
F1 P1 C501 104.06(8) . .
C401 P1 C501 112.73(10) . .
F1 P1 C1 100.69(8) . .
C401 P1 C1 116.65(10) . .
C501 P1 C1 114.86(9) . .
F2 P2 C201 107.10(8) . .
F2 P2 C301 104.28(8) . .
C201 P2 C301 113.83(9) . .
F2 P2 C2 104.06(8) . .
C201 P2 C2 113.26(9) . .
C301 P2 C2 113.18(9) . .
F11 B1 F11 110.3(3) . 2
F11 B1 F12 108.68(10) . 2
F11 B1 F12 110.48(12) 2 2
F11 B1 F12 110.48(12) . .
F11 B1 F12 108.68(10) 2 .
F12 B1 F12 108.2(3) 2 .
F22 B2 F22 111.1(3) . 2
F22 B2 F21 108.40(8) . 2
F22 B2 F21 110.29(9) 2 2
F22 B2 F21 110.29(9) . .
F22 B2 F21 108.40(8) 2 .
F21 B2 F21 108.3(3) 2 .
F31 B3 F33 110.56(18) . .
F31 B3 F34 109.76(17) . .
F33 B3 F34 109.09(17) . .
F31 B3 F32 109.14(17) . .
F33 B3 F32 108.79(16) . .
F34 B3 F32 109.47(18) . .
C105 N1 C101 117.48(16) . .
C105 C1 P1 115.48(13) . .
C105 C1 H1A 108.4 . .
P1 C1 H1A 108.4 . .
C105 C1 H1B 108.4 . .
P1 C1 H1B 108.4 . .
H1A C1 H1B 107.5 . .
C101 C2 P2 111.57(13) . .
C101 C2 H2A 109.3 . .
P2 C2 H2A 109.3 . .
C101 C2 H2B 109.3 . .
P2 C2 H2B 109.3 . .
H2A C2 H2B 108.0 . .
N1 C101 C102 122.65(18) . .
N1 C101 C2 116.42(16) . .
C102 C101 C2 120.91(17) . .
C103 C102 C101 118.98(19) . .
C103 C102 H102 120.5 . .
C101 C102 H102 120.5 . .
C104 C103 C102 119.14(19) . .
C104 C103 H103 120.4 . .
C102 C103 H103 120.4 . .
C103 C104 C105 118.44(19) . .
C103 C104 H104 120.8 . .
C105 C104 H104 120.8 . .
N1 C105 C104 123.30(18) . .
N1 C105 C1 115.74(16) . .
C104 C105 C1 120.94(17) . .
C206 C201 C202 120.00(19) . .
C206 C201 P2 119.01(16) . .
C202 C201 P2 120.81(15) . .
C203 C202 C201 119.3(2) . .
C203 C202 H202 120.3 . .
C201 C202 H202 120.3 . .
C204 C203 C202 119.9(2) . .
C204 C203 H203 120.0 . .
C202 C203 H203 120.0 . .
C205 C204 C203 120.9(2) . .
C205 C204 H204 119.6 . .
C203 C204 H204 119.6 . .
C204 C205 C206 120.5(2) . .
C204 C205 H205 119.8 . .
C206 C205 H205 119.8 . .
C205 C206 C201 119.4(2) . .
C205 C206 H206 120.3 . .
C201 C206 H206 120.3 . .
C306 C301 C302 120.72(18) . .
C306 C301 P2 120.97(15) . .
C302 C301 P2 118.09(15) . .
C303 C302 C301 119.2(2) . .
C303 C302 H302 120.4 . .
C301 C302 H302 120.4 . .
C304 C303 C302 120.2(2) . .
C304 C303 H303 119.9 . .
C302 C303 H303 119.9 . .
C303 C304 C305 120.7(2) . .
C303 C304 H304 119.7 . .
C305 C304 H304 119.7 . .
C304 C305 C306 120.1(2) . .
C304 C305 H305 119.9 . .
C306 C305 H305 119.9 . .
C305 C306 C301 119.02(19) . .
C305 C306 H306 120.5 . .
C301 C306 H306 120.5 . .
C406 C401 C402 120.52(18) . .
C406 C401 P1 121.54(15) . .
C402 C401 P1 117.83(16) . .
C403 C402 C401 119.6(2) . .
C403 C402 H402 120.2 . .
C401 C402 H402 120.2 . .
C404 C403 C402 119.4(2) . .
C404 C403 H403 120.3 . .
C402 C403 H403 120.3 . .
C403 C404 C405 121.4(2) . .
C403 C404 H404 119.3 . .
C405 C404 H404 119.3 . .
C404 C405 C406 119.8(2) . .
C404 C405 H405 120.1 . .
C406 C405 H405 120.1 . .
C401 C406 C405 119.29(19) . .
C401 C406 H406 120.4 . .
C405 C406 H406 120.4 . .
C506 C501 C502 120.62(19) . .
C506 C501 P1 121.02(15) . .
C502 C501 P1 118.35(16) . .
C503 C502 C501 118.7(2) . .
C503 C502 H502 120.6 . .
C501 C502 H502 120.6 . .
C502 C503 C504 120.6(2) . .
C502 C503 H503 119.7 . .
C504 C503 H503 119.7 . .
C505 C504 C503 120.6(2) . .
C505 C504 H504 119.7 . .
C503 C504 H504 119.7 . .
C504 C505 C506 119.8(2) . .
C504 C505 H505 120.1 . .
C506 C505 H505 120.1 . .
C505 C506 C501 119.6(2) . .
C505 C506 H506 120.2 . .
C501 C506 H506 120.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 F1 1.5504(12) .
P1 C401 1.760(2) .
P1 C501 1.762(2) .
P1 C1 1.780(2) .
P2 F2 1.5512(12) .
P2 C201 1.756(2) .
P2 C301 1.7621(19) .
P2 C2 1.787(2) .
F11 B1 1.364(3) .
F12 B1 1.381(3) .
F21 B2 1.383(2) .
F22 B2 1.374(2) .
F31 B3 1.374(3) .
F32 B3 1.395(3) .
F33 B3 1.381(2) .
F34 B3 1.387(2) .
B1 F11 1.364(3) 2
B1 F12 1.381(3) 2
B2 F22 1.374(2) 2
B2 F21 1.383(2) 2
N1 C105 1.339(2) .
N1 C101 1.342(2) .
C1 C105 1.508(3) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 C101 1.508(3) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C101 C102 1.387(3) .
C102 C103 1.378(3) .
C102 H102 0.9500 .
C103 C104 1.376(3) .
C103 H103 0.9500 .
C104 C105 1.387(3) .
C104 H104 0.9500 .
C201 C206 1.390(3) .
C201 C202 1.394(3) .
C202 C203 1.388(3) .
C202 H202 0.9500 .
C203 C204 1.368(3) .
C203 H203 0.9500 .
C204 C205 1.367(3) .
C204 H204 0.9500 .
C205 C206 1.378(3) .
C205 H205 0.9500 .
C206 H206 0.9500 .
C301 C306 1.389(3) .
C301 C302 1.395(3) .
C302 C303 1.377(3) .
C302 H302 0.9500 .
C303 C304 1.376(3) .
C303 H303 0.9500 .
C304 C305 1.381(3) .
C304 H304 0.9500 .
C305 C306 1.383(3) .
C305 H305 0.9500 .
C306 H306 0.9500 .
C401 C406 1.384(3) .
C401 C402 1.400(3) .
C402 C403 1.384(3) .
C402 H402 0.9500 .
C403 C404 1.376(3) .
C403 H403 0.9500 .
C404 C405 1.379(3) .
C404 H404 0.9500 .
C405 C406 1.390(3) .
C405 H405 0.9500 .
C406 H406 0.9500 .
C501 C506 1.392(3) .
C501 C502 1.397(3) .
C502 C503 1.377(3) .
C502 H502 0.9500 .
C503 C504 1.385(4) .
C503 H503 0.9500 .
C504 C505 1.375(3) .
C504 H504 0.9500 .
C505 C506 1.382(3) .
C505 H505 0.9500 .
C506 H506 0.9500 .
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
F1 P1 C1 C105 -170.47(14)
C401 P1 C1 C105 75.79(17)
C501 P1 C1 C105 -59.37(17)
F2 P2 C2 C101 78.13(14)
C201 P2 C2 C101 -165.93(13)
C301 P2 C2 C101 -34.45(16)
C105 N1 C101 C102 0.1(3)
C105 N1 C101 C2 178.23(16)
P2 C2 C101 N1 -89.91(17)
P2 C2 C101 C102 88.2(2)
N1 C101 C102 C103 -1.1(3)
C2 C101 C102 C103 -179.11(18)
C101 C102 C103 C104 0.9(3)
C102 C103 C104 C105 0.1(3)
C101 N1 C105 C104 1.0(3)
C101 N1 C105 C1 -177.72(16)
C103 C104 C105 N1 -1.1(3)
C103 C104 C105 C1 177.53(19)
P1 C1 C105 N1 -26.2(2)
P1 C1 C105 C104 155.02(16)
F2 P2 C201 C206 85.32(18)
C301 P2 C201 C206 -159.97(16)
C2 P2 C201 C206 -28.8(2)
F2 P2 C201 C202 -89.69(18)
C301 P2 C201 C202 25.0(2)
C2 P2 C201 C202 156.18(17)
C206 C201 C202 C203 -0.5(3)
P2 C201 C202 C203 174.5(2)
C201 C202 C203 C204 -1.1(4)
C202 C203 C204 C205 1.5(4)
C203 C204 C205 C206 -0.3(4)
C204 C205 C206 C201 -1.3(4)
C202 C201 C206 C205 1.7(3)
P2 C201 C206 C205 -173.39(18)
F2 P2 C301 C306 156.38(16)
C201 P2 C301 C306 40.0(2)
C2 P2 C301 C306 -91.18(18)
F2 P2 C301 C302 -29.02(18)
C201 P2 C301 C302 -145.38(16)
C2 P2 C301 C302 83.42(18)
C306 C301 C302 C303 -0.2(3)
P2 C301 C302 C303 -174.79(17)
C301 C302 C303 C304 -1.2(3)
C302 C303 C304 C305 1.1(4)
C303 C304 C305 C306 0.4(4)
C304 C305 C306 C301 -1.8(4)
C302 C301 C306 C305 1.7(3)
P2 C301 C306 C305 176.13(18)
F1 P1 C401 C406 -110.80(17)
C501 P1 C401 C406 136.17(16)
C1 P1 C401 C406 0.1(2)
F1 P1 C401 C402 65.50(17)
C501 P1 C401 C402 -47.54(18)
C1 P1 C401 C402 176.39(15)
C406 C401 C402 C403 -0.9(3)
P1 C401 C402 C403 -177.26(16)
C401 C402 C403 C404 -1.0(3)
C402 C403 C404 C405 2.4(3)
C403 C404 C405 C406 -1.9(3)
C402 C401 C406 C405 1.5(3)
P1 C401 C406 C405 177.68(16)
C404 C405 C406 C401 -0.1(3)
F1 P1 C501 C506 -138.08(16)
C401 P1 C501 C506 -24.05(19)
C1 P1 C501 C506 112.84(17)
F1 P1 C501 C502 40.57(17)
C401 P1 C501 C502 154.60(15)
C1 P1 C501 C502 -68.51(18)
C506 C501 C502 C503 -0.3(3)
P1 C501 C502 C503 -178.93(17)
C501 C502 C503 C504 1.2(3)
C502 C503 C504 C505 -0.9(4)
C503 C504 C505 C506 -0.2(3)
C504 C505 C506 C501 1.1(3)
C502 C501 C506 C505 -0.8(3)
P1 C501 C506 C505 177.77(16)
