#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/07/2200790.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2200790
loop_
_publ_author_name
'Jonathan P. H. Charmant'
'Pablo Espinet'
'Katerina Soulantica'
_publ_section_title
;
 Square [Pd₄(μ-CN)₄(C₆F₅)₄(PEt₃)₄]·2C₆H₅CH₃
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m451
_journal_page_last               m453
_journal_paper_doi               10.1107/S1600536801014994
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Pd4 (C N)4 (C6 F5)4 (C6 H15 P)4], 2C7 H8'
_chemical_formula_moiety         'C52 H60 F20 N4 P4 Pd4, 2C7 H8'
_chemical_formula_sum            'C66 H76 F20 N4 P4 Pd4'
_chemical_formula_weight         1854.79
_chemical_name_systematic
;
Palladium, tetrakis[μ-(cyano-C:N)]tetrakis(pentafluorophenyl)
tetrakis(triethylphosphine)tetra-, cyclo (9CI), ditoluene
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.372(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.8845(10)
_cell_length_b                   14.8554(18)
_cell_length_c                   21.652(3)
_cell_measurement_reflns_used    441
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      2
_cell_volume                     3791.0(8)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 1998)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full .998
_diffrn_measured_fraction_theta_max .998
_diffrn_measurement_device_type  'CCD area-detector'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .038
_diffrn_reflns_av_sigmaI/netI    .034
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            38987
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         1.67
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.11
_exptl_absorpt_correction_T_max  .801
_exptl_absorpt_correction_T_min  .695
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2001)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.625
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1848
_exptl_crystal_size_max          .3
_exptl_crystal_size_mid          .3
_exptl_crystal_size_min          .3
_refine_diff_density_max         1.01
_refine_diff_density_min         -.75
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   .97
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     449
_refine_ls_number_reflns         8699
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      .97
_refine_ls_R_factor_all          .039
_refine_ls_R_factor_gt           .025
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0336P)²] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .061
_reflns_number_gt                6789
_reflns_number_total             8699
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ya6040.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2200790
_cod_database_fobs_code          2200790
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Pd1 .549498(14) -.223794(11) .065058(8) .02383(5) Uani d . 1 . . Pd
Pd2 .246938(14) .025756(11) .083650(8) .02292(5) Uani d . 1 . . Pd
C1A .42579(17) -.12888(14) .06457(10) .0278(5) Uani d P .50 A 1 C
C2A .30701(18) .09898(14) .01589(10) .0301(5) Uani d P .50 . 1 C
N1A .35909(18) -.07465(14) .07015(10) .0285(5) Uani d P .50 A 1 N
N2A .64715(16) -.14097(13) .01756(10) .0237(4) Uani d P .50 . 1 N
N1B .42579(17) -.12888(14) .06457(10) .0278(5) Uani d P .50 A 2 N
N2B .30701(18) .09898(14) .01589(10) .0301(5) Uani d P .50 . 2 N
C1B .35909(18) -.07465(14) .07015(10) .0285(5) Uani d P .50 A 2 C
C2B .64715(16) -.14097(13) .01756(10) .0237(4) Uani d P .50 . 2 C
P1 .43375(6) -.31907(4) .10737(3) .03429(15) Uani d . 1 A . P
P2 .11997(5) .13484(4) .10126(3) .02513(13) Uani d . 1 . . P
C10 .67556(19) -.31656(15) .07088(11) .0270(5) Uani d . 1 A . C
C11 .7011(2) -.36491(16) .02030(12) .0339(6) Uani d . 1 . . C
F11 .63377(14) -.35788(11) -.03497(7) .0503(4) Uani d . 1 A . F
C12 .7944(2) -.42179(17) .02241(15) .0437(7) Uani d . 1 A . C
F12 .81750(15) -.46538(11) -.02906(9) .0643(5) Uani d . 1 . . F
C13 .8634(2) -.43295(17) .07789(17) .0479(8) Uani d . 1 . . C
F13 .95275(15) -.48974(12) .08120(11) .0752(6) Uani d . 1 A . F
C14 .8396(2) -.38786(17) .12962(14) .0416(7) Uani d . 1 A . C
F14 .90451(13) -.40133(11) .18475(9) .0600(5) Uani d . 1 . . F
C15 .7478(2) -.33019(16) .12516(12) .0327(5) Uani d . 1 . . C
F15 .72855(13) -.28742(10) .17839(7) .0439(4) Uani d . 1 A . F
C20 .19911(19) -.04493(15) .15670(11) .0265(5) Uani d . 1 . . C
C21 .2478(2) -.03018(15) .21721(12) .0325(5) Uani d . 1 . . C
F21 .32964(14) .03387(10) .22920(7) .0500(4) Uani d . 1 . . F
C22 .2184(2) -.07704(18) .26800(12) .0410(6) Uani d . 1 . . C
F22 .27015(18) -.05946(12) .32598(7) .0659(5) Uani d . 1 . . F
C23 .1357(2) -.14152(18) .25910(14) .0438(7) Uani d . 1 . . C
F23 .10380(17) -.18584(12) .30849(9) .0682(6) Uani d . 1 . . F
C24 .0861(2) -.16043(17) .19995(14) .0413(7) Uani d . 1 . . C
F24 .00538(15) -.22464(11) .19080(10) .0670(5) Uani d . 1 . . F
C25 .1193(2) -.11361(16) .15038(12) .0335(5) Uani d . 1 . . C
F25 .06995(14) -.13713(11) .09261(8) .0559(5) Uani d . 1 . . F
C30 .3051(2) -.33575(19) .04913(15) .0483(7) Uani d . 1 . . C
H30A .2551 -.3809 .0654 .058 Uiso calc R 1 A . H
H30B .2626 -.2784 .0437 .058 Uiso calc R 1 . . H
C31 .3336(3) -.3668(3) -.01369(16) .0711(10) Uani d . 1 A . C
H31A .3788 -.3205 -.0313 .107 Uiso calc R 1 . . H
H31B .2633 -.3770 -.0418 .107 Uiso calc R 1 . . H
H31C .3771 -.4230 -.0086 .107 Uiso calc R 1 . . H
C40 .4880(2) -.43085(17) .12880(13) .0400(6) Uani d . 1 . . C
H40A .5069 -.4610 .0906 .048 Uiso calc R 1 A . H
H40B .5597 -.4238 .1572 .048 Uiso calc R 1 . . H
C41 .4104(3) -.49317(19) .16005(14) .0493(7) Uani d . 1 A . C
H41A .3971 -.4676 .2002 .074 Uiso calc R 1 . . H
H41B .4464 -.5523 .1668 .074 Uiso calc R 1 . . H
H41C .3379 -.4996 .1333 .074 Uiso calc R 1 . . H
C50 .3752(2) -.27189(19) .17340(13) .0439(7) Uani d . 1 . . C
H50A .3308 -.2174 .1598 .053 Uiso calc R 1 A . H
H50B .3228 -.3161 .1885 .053 Uiso calc R 1 . . H
C51 .4655(3) -.2471(3) .22655(15) .0681(10) Uani d . 1 A . C
H51A .5133 -.2996 .2383 .102 Uiso calc R 1 . . H
H51B .4291 -.2273 .2624 .102 Uiso calc R 1 . . H
H51C .5124 -.1982 .2134 .102 Uiso calc R 1 . . H
C60 .1715(2) .20602(17) .16768(12) .0367(6) Uani d . 1 . . C
H60A .1131 .2519 .1732 .044 Uiso calc R 1 . . H
H60B .1821 .1685 .2057 .044 Uiso calc R 1 . . H
C61 .2820(2) .2532(2) .16072(14) .0523(8) Uani d . 1 . . C
H61A .3391 .2086 .1528 .078 Uiso calc R 1 . . H
H61B .3082 .2862 .1991 .078 Uiso calc R 1 . . H
H61C .2701 .2955 .1257 .078 Uiso calc R 1 . . H
C70 -.01827(19) .09583(17) .11888(12) .0334(6) Uani d . 1 . . C
H70A -.0064 .0541 .1548 .040 Uiso calc R 1 . . H
H70B -.0616 .1482 .1314 .040 Uiso calc R 1 . . H
C71 -.0887(2) .0482(2) .06484(14) .0458(7) Uani d . 1 . . C
H71A -.1108 .0914 .0313 .069 Uiso calc R 1 . . H
H71B -.1569 .0226 .0791 .069 Uiso calc R 1 . . H
H71C -.0437 -.0002 .0494 .069 Uiso calc R 1 . . H
C80 .0884(2) .21135(16) .03553(11) .0304(5) Uani d . 1 . . C
H80A .1598 .2414 .0280 .036 Uiso calc R 1 . . H
H80B .0617 .1753 -.0020 .036 Uiso calc R 1 . . H
C81 .0001(2) .28380(19) .04288(15) .0484(7) Uani d . 1 . . C
H81A -.0718 .2552 .0494 .073 Uiso calc R 1 . . H
H81B -.0114 .3209 .0052 .073 Uiso calc R 1 . . H
H81C .0266 .3218 .0788 .073 Uiso calc R 1 . . H
C90 .4079(3) -.4081(3) .38117(18) .0876(13) Uani d . 1 . . C
H90A .4827 -.4230 .3695 .131 Uiso calc R 1 . . H
H90B .3997 -.4356 .4215 .131 Uiso calc R 1 . . H
H90C .4005 -.3426 .3842 .131 Uiso calc R 1 . . H
C91 .3177(3) -.4434(2) .33287(14) .0549(8) Uani d . 1 . . C
C92 .2981(3) -.5363(2) .32470(16) .0613(9) Uani d . 1 . . C
H92 .3435 -.5781 .3501 .074 Uiso calc R 1 . . H
C93 .2134(3) -.5675(2) .27999(17) .0627(9) Uani d . 1 . . C
H93 .2006 -.6304 .2754 .075 Uiso calc R 1 . . H
C94 .1490(3) -.5096(3) .24281(17) .0616(9) Uani d . 1 . . C
H94 .0912 -.5316 .2121 .074 Uiso calc R 1 . . H
C95 .1669(2) -.4188(2) .24934(16) .0564(9) Uani d . 1 . . C
H95 .1221 -.3782 .2227 .068 Uiso calc R 1 . . H
C96 .2488(2) -.3858(2) .29394(14) .0458(7) Uani d . 1 . . C
H96 .2587 -.3226 .2983 .055 Uiso calc R 1 . . H
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N .0061 .0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F .0171 .0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P .1023 .0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -.9988 1.0072 '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_site_symmetry_1
_geom_angle
_geom_angle_publ_flag
C1A Pd1 N2A . 92.09(8) yes
C1A Pd1 P1 . 87.65(6) yes
N2A Pd1 P1 . 174.08(6) yes
C10 Pd1 C1A . 176.64(9) yes
C10 Pd1 N2A . 88.73(8) yes
C10 Pd1 P1 . 91.87(6) yes
C2A Pd2 N1A . 89.51(8) yes
C2A Pd2 P2 . 92.39(6) yes
C2A Pd2 C20 . 175.01(9) yes
N1A Pd2 P2 . 178.10(6) yes
C20 Pd2 N1A . 89.25(8) yes
C20 Pd2 P2 . 88.85(6) yes
N1A C1A Pd1 . 173.6(2) yes
N2A C2A Pd2 3_655 171.7(2) yes
C1A N1A Pd2 . 176.7(2) yes
C2A N2A Pd1 3_655 170.9(2) yes
C50 P1 C40 . 108.15(13) no
C50 P1 C30 . 102.73(13) no
C40 P1 C30 . 106.47(13) no
C50 P1 Pd1 . 113.28(9) no
C40 P1 Pd1 . 117.56(8) no
C30 P1 Pd1 . 107.38(10) no
C80 P2 C60 . 105.57(12) no
C80 P2 C70 . 105.09(11) no
C60 P2 C70 . 103.80(12) no
C80 P2 Pd2 . 112.77(8) no
C60 P2 Pd2 . 112.41(9) no
C70 P2 Pd2 . 116.20(8) no
C11 C10 C15 . 115.1(2) no
C11 C10 Pd1 . 122.84(18) no
C15 C10 Pd1 . 121.82(17) no
F11 C11 C10 . 119.8(2) no
F11 C11 C12 . 117.0(2) no
C10 C11 C12 . 123.2(3) no
F12 C12 C13 . 120.2(2) no
F12 C12 C11 . 120.8(3) no
C13 C12 C11 . 119.1(3) no
F13 C13 C14 . 120.5(3) no
F13 C13 C12 . 119.9(3) no
C14 C13 C12 . 119.6(2) no
F14 C14 C13 . 119.8(2) no
F14 C14 C15 . 120.7(3) no
C13 C14 C15 . 119.5(3) no
F15 C15 C10 . 120.0(2) no
F15 C15 C14 . 116.6(2) no
C10 C15 C14 . 123.4(2) no
C21 C20 C25 . 114.1(2) no
C21 C20 Pd2 . 121.99(17) no
C25 C20 Pd2 . 123.86(18) no
F21 C21 C20 . 119.6(2) no
F21 C21 C22 . 116.6(2) no
C20 C21 C22 . 123.8(2) no
F22 C22 C23 . 120.0(2) no
F22 C22 C21 . 120.6(3) no
C23 C22 C21 . 119.4(3) no
F23 C23 C22 . 119.9(3) no
F23 C23 C24 . 120.7(3) no
C22 C23 C24 . 119.4(2) no
F24 C24 C23 . 119.7(2) no
F24 C24 C25 . 120.8(3) no
C23 C24 C25 . 119.6(2) no
F25 C25 C24 . 117.1(2) no
F25 C25 C20 . 119.3(2) no
C24 C25 C20 . 123.7(2) no
C31 C30 P1 . 112.8(2) no
C41 C40 P1 . 116.88(19) no
C51 C50 P1 . 112.8(2) no
C61 C60 P2 . 113.42(19) no
C71 C70 P2 . 114.02(17) no
C81 C80 P2 . 115.71(18) no
C96 C91 C92 . 116.9(3) no
C96 C91 C90 . 121.5(3) no
C92 C91 C90 . 121.7(3) no
C93 C92 C91 . 120.7(3) no
C94 C93 C92 . 120.7(3) no
C93 C94 C95 . 119.9(4) no
C94 C95 C96 . 120.8(3) no
C95 C96 C91 . 121.1(3) no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pd1 C1A . 2.036(2) yes
Pd1 N2A . 2.0554(19) yes
Pd1 P1 . 2.2490(7) yes
Pd1 C10 . 2.028(2) yes
Pd2 C2A . 2.028(2) yes
Pd2 N1A . 2.046(2) yes
Pd2 P2 . 2.2795(6) yes
Pd2 C20 . 2.039(2) yes
C1A N1A . 1.147(3) yes
C2A N2A 3_655 1.145(3) yes
N2A C2A 3_655 1.145(3) no
P1 C50 . 1.809(3) no
P1 C40 . 1.820(3) no
P1 C30 . 1.870(3) no
P2 C80 . 1.822(2) no
P2 C60 . 1.826(3) no
P2 C70 . 1.828(2) no
C10 C11 . 1.376(3) no
C10 C15 . 1.379(3) no
C11 F11 . 1.356(3) no
C11 C12 . 1.390(3) no
C12 F12 . 1.347(3) no
C12 C13 . 1.375(4) no
C13 F13 . 1.351(3) no
C13 C14 . 1.366(4) no
C14 F14 . 1.350(3) no
C14 C15 . 1.381(3) no
C15 F15 . 1.361(3) no
C20 C21 . 1.380(3) no
C20 C25 . 1.388(3) no
C21 F21 . 1.361(3) no
C21 C22 . 1.384(3) no
C22 F22 . 1.351(3) no
C22 C23 . 1.368(4) no
C23 F23 . 1.351(3) no
C23 C24 . 1.368(4) no
C24 F24 . 1.350(3) no
C24 C25 . 1.378(4) no
C25 F25 . 1.357(3) no
C30 C31 . 1.515(4) no
C40 C41 . 1.525(3) no
C50 C51 . 1.514(4) no
C60 C61 . 1.513(4) no
C70 C71 . 1.523(4) no
C80 C81 . 1.526(3) no
C90 C91 . 1.493(5) no
C91 C96 . 1.391(4) no
C91 C92 . 1.407(5) no
C92 C93 . 1.384(5) no
C93 C94 . 1.348(5) no
C94 C95 . 1.369(5) no
C95 C96 . 1.371(4) no
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_publ_flag
C10 Pd1 P1 C50 127.35(13) no
C1A Pd1 P1 C50 -49.32(12) no
C10 Pd1 P1 C40 -.03(13) no
C1A Pd1 P1 C40 -176.70(13) no
C10 Pd1 P1 C30 -119.93(12) no
C1A Pd1 P1 C30 63.40(12) no
C2A Pd2 P2 C80 21.14(11) no
C20 Pd2 P2 C80 -163.69(11) no
C2A Pd2 P2 C60 -98.07(11) no
C20 Pd2 P2 C60 77.10(12) no
C2A Pd2 P2 C70 142.56(11) no
C20 Pd2 P2 C70 -42.27(12) no
N2A Pd1 C10 C11 -71.23(19) no
P1 Pd1 C10 C11 102.87(19) no
N2A Pd1 C10 C15 103.36(19) no
P1 Pd1 C10 C15 -82.53(18) no
C15 C10 C11 F11 178.5(2) no
Pd1 C10 C11 F11 -6.6(3) no
C15 C10 C11 C12 -1.7(3) no
Pd1 C10 C11 C12 173.22(18) no
F11 C11 C12 F12 1.9(3) no
C10 C11 C12 F12 -177.9(2) no
F11 C11 C12 C13 -178.3(2) no
C10 C11 C12 C13 1.9(4) no
F12 C12 C13 F13 -1.9(4) no
C11 C12 C13 F13 178.3(2) no
F12 C12 C13 C14 179.5(2) no
C11 C12 C13 C14 -.3(4) no
F13 C13 C14 F14 -1.2(4) no
C12 C13 C14 F14 177.4(2) no
F13 C13 C14 C15 -179.9(2) no
C12 C13 C14 C15 -1.4(4) no
C11 C10 C15 F15 -178.3(2) no
Pd1 C10 C15 F15 6.7(3) no
C11 C10 C15 C14 -.1(3) no
Pd1 C10 C15 C14 -175.05(18) no
F14 C14 C15 F15 1.2(3) no
C13 C14 C15 F15 179.9(2) no
F14 C14 C15 C10 -177.2(2) no
C13 C14 C15 C10 1.6(4) no
N1A Pd2 C20 C21 93.8(2) no
P2 Pd2 C20 C21 -86.29(19) no
N1A Pd2 C20 C25 -83.6(2) no
P2 Pd2 C20 C25 96.32(19) no
C25 C20 C21 F21 178.2(2) no
Pd2 C20 C21 F21 .6(3) no
C25 C20 C21 C22 -1.9(3) no
Pd2 C20 C21 C22 -179.56(19) no
F21 C21 C22 F22 -.6(4) no
C20 C21 C22 F22 179.6(2) no
F21 C21 C22 C23 179.2(2) no
C20 C21 C22 C23 -.6(4) no
F22 C22 C23 F23 1.8(4) no
C21 C22 C23 F23 -178.0(2) no
F22 C22 C23 C24 -178.2(2) no
C21 C22 C23 C24 2.0(4) no
F23 C23 C24 F24 -.7(4) no
C22 C23 C24 F24 179.3(2) no
F23 C23 C24 C25 179.3(2) no
C22 C23 C24 C25 -.7(4) no
F24 C24 C25 F25 -2.1(4) no
C23 C24 C25 F25 177.9(2) no
F24 C24 C25 C20 177.9(2) no
C23 C24 C25 C20 -2.1(4) no
C21 C20 C25 F25 -176.7(2) no
Pd2 C20 C25 F25 .9(3) no
C21 C20 C25 C24 3.3(4) no
Pd2 C20 C25 C24 -179.14(19) no
C50 P1 C30 C31 174.4(2) no
C40 P1 C30 C31 -72.1(3) no
Pd1 P1 C30 C31 54.7(2) no
C50 P1 C40 C41 47.6(3) no
C30 P1 C40 C41 -62.2(3) no
Pd1 P1 C40 C41 177.38(18) no
C40 P1 C50 C51 71.0(3) no
C30 P1 C50 C51 -176.7(2) no
Pd1 P1 C50 C51 -61.2(2) no
C80 P2 C60 C61 -64.6(2) no
C70 P2 C60 C61 -174.9(2) no
Pd2 P2 C60 C61 58.7(2) no
C80 P2 C70 C71 59.0(2) no
C60 P2 C70 C71 169.67(19) no
Pd2 P2 C70 C71 -66.4(2) no
C60 P2 C80 C81 -59.4(2) no
C70 P2 C80 C81 49.9(2) no
Pd2 P2 C80 C81 177.46(17) no
C96 C91 C92 C93 -.3(4) no
C90 C91 C92 C93 179.4(3) no
C91 C92 C93 C94 .9(5) no
C92 C93 C94 C95 -.2(5) no
C93 C94 C95 C96 -.9(5) no
C94 C95 C96 C91 1.5(4) no
C92 C91 C96 C95 -.8(4) no
C90 C91 C96 C95 179.4(3) no
