#------------------------------------------------------------------------------
#$Date: 2011-09-10 04:16:28 +0100 (Sat, 10 Sep 2011) $
#$Revision: 25271 $
#$URL: svn://www.crystallography.net/cod/cif/2/2006332.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_2006332
loop_
_publ_author_name
'Chentit, M.'
'Geoffroy, M.'
'Bernardinelli, G.'
_publ_contact_author
; Dr Gerald Bernardinelli
Laboratoire de Cristallographie
Universit\'e de Gen\`eve
24, quai E. Ansermet
CH - 1211 GENEVE 4
Switzerland
;
_publ_section_title
;
Di-\m-bromo-bis{[(2,4,6-tris-tert-butylphenyl)phosphanediylmethyl-P]phenyl-C^2^}dipalladium
;
_journal_issue 7
_journal_name_full 'Acta Crystallographica Section C'
_journal_page_first 866
_journal_page_last 868
_journal_volume 53
_journal_year 1997
_chemical_formula_analytical 'C50 H68 P2 Br2 Pd2'
_chemical_formula_iupac '[Pd2 Br2 (C25 H34 P)2]'
_chemical_formula_moiety 'C50 H68 P2 Br2 Pd2'
_chemical_formula_structural (Pd_Br_C25_H34_P)2
_chemical_formula_sum 'C50 H68 Br2 P2 Pd2'
_chemical_formula_weight 1103.6
_chemical_melting_point 522
_chemical_name_systematic
;
di-\m-bromo-bis{[(2,4,6-tris-tert-butylphenyl)phosphanediylmethyl-P]phenyl)-
dipalladium
;
_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 from_xtal_archive_file_using_CIFIO
_cell_angle_alpha 90.00000
_cell_angle_beta 105.010(3)
_cell_angle_gamma 90.00000
_cell_formula_units_Z 2
_cell_length_a 14.1560(10)
_cell_length_b 19.536(3)
_cell_length_c 9.2244(4)
_cell_measurement_reflns_used 24
_cell_measurement_temperature 293
_cell_measurement_theta_max 33
_cell_measurement_theta_min 26
_cell_volume 2464.0(4)
_computing_cell_refinement
'LATCON Xtal3.2 (Hall, Flack & Stewart, 1992)'
_computing_data_collection CAD4_software_(Enraf-Nonius,_1989)
_computing_data_reduction
'REFCA LSABS (Blanc, Schwarzenbach & Flack, 1991) and SORTRF Xtal3.2'
_computing_molecular_graphics ORTEPII_(Johnson,_1976)_in_Xtal3.2
_computing_publication_material BONDLA_CIFIO_Xtal3.2
_computing_structure_refinement CRYLSQ_Xtal3.2
_computing_structure_solution 'MULTAN87 (Main et al., 1987)'
_diffrn_ambient_temperature 293
_diffrn_measurement_device Enraf-Nonius_CAD4_4circle_diffractometer
_diffrn_measurement_method \w/2\q_scans
_diffrn_radiation_monochromator graphite
_diffrn_radiation_source fine-focus_Philips_t
_diffrn_radiation_type 'Cu K\a'
_diffrn_radiation_wavelength 1.54183
_diffrn_reflns_av_R_equivalents .021
_diffrn_reflns_av_sigmaI/netI .048
_diffrn_reflns_limit_h_max 14
_diffrn_reflns_limit_h_min -14
_diffrn_reflns_limit_k_max 20
_diffrn_reflns_limit_k_min 0
_diffrn_reflns_limit_l_max 9
_diffrn_reflns_limit_l_min 0
_diffrn_reflns_number 3224
_diffrn_reflns_theta_max 53
_diffrn_reflns_theta_min 2.26
_diffrn_standards_decay_% 0
_diffrn_standards_interval_time 60
_diffrn_standards_number 2
_exptl_absorpt_coefficient_mu 8.628
_exptl_absorpt_correction_T_max .777879
_exptl_absorpt_correction_T_min .456776
_exptl_absorpt_correction_type Analytical_integration
_exptl_absorpt_process_details 'Xtal3.2 LSABS (Blanc & schwarzenbach 1991)'
_exptl_crystal_colour red
_exptl_crystal_density_diffrn 1.488
_exptl_crystal_density_meas 'not measured'
_exptl_crystal_description prism
_exptl_crystal_F_000 1120
_exptl_crystal_size_max 0.12
_exptl_crystal_size_mid 0.09
_exptl_crystal_size_min 0.03
_refine_diff_density_max .751
_refine_diff_density_min -.815
_refine_ls_abs_structure_details none
_refine_ls_abs_structure_Flack 0
_refine_ls_extinction_coef 0.01E-4(1)
_refine_ls_extinction_method Zachariasen_(1968)
_refine_ls_goodness_of_fit_all 2.228
_refine_ls_goodness_of_fit_obs 2.399
_refine_ls_hydrogen_treatment 'refxyz except for methyl groups'
_refine_ls_matrix_type full
_refine_ls_number_constraints 0
_refine_ls_number_parameters 275
_refine_ls_number_reflns 2444
_refine_ls_number_restraints 0
_refine_ls_R_factor_all .055
_refine_ls_R_factor_obs .043
_refine_ls_shift/esd_max .00079
_refine_ls_shift/esd_mean .00004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme 'w = 1/[\s^2^(F)]'
_refine_ls_wR_factor_all .035
_refine_ls_wR_factor_obs .034
_reflns_number_observed 2444
_reflns_number_total 2860
_reflns_observed_criterion refl_observed_if_F____>_4.00_sigma(F___)
_[local]_cod_data_source_file pa1251.cif
_[local]_cod_data_source_block TAFA
_[local]_cod_cif_authors_sg_Hall -P_2ybc
_[local]_cod_chemical_formula_sum_orig 'C50 H68 P2 Br2 Pd2'
_cod_database_code 2006332
loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+z
-x,1/2+y,1/2-z
-x,-y,-z
+x,1/2-y,1/2+z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Pd .0268(4) .0270(4) .0293(4) .0016(3) -.0037(3) -.0056(4)
Br .0379(6) .0362(6) .0432(6) .0083(5) -.0108(5) -.0116(5)
P .0290(12) .0396(14) .0384(14) .0024(11) -.0060(11) -.0089(12)
C1 .034(5) .040(6) .046(6) .010(5) .005(5) -.011(5)
C2 .035(5) .033(6) .030(5) .006(5) .010(5) -.006(5)
C3 .040(6) .051(7) .055(7) .019(6) -.006(5) -.010(6)
C4 .049(7) .061(8) .086(9) .030(7) -.013(6) -.016(7)
C5 .062(7) .040(7) .097(9) .028(6) -.005(7) -.021(7)
C6 .058(8) .054(8) .064(8) .007(6) .007(6) -.025(6)
C7 .038(6) .050(6) .045(6) .000(5) -.003(5) -.025(5)
C8 .026(5) .027(5) .027(5) .000(4) -.002(4) -.011(4)
C9 .035(5) .021(5) .030(5) .001(4) .002(5) -.001(4)
C10 .032(6) .037(6) .041(6) -.004(5) .012(5) -.001(5)
C11 .028(5) .036(5) .032(6) .005(5) .001(5) -.005(5)
C12 .037(5) .045(6) .023(5) .009(5) .001(5) .005(5)
C13 .029(5) .033(5) .028(5) .000(4) .003(4) -.010(5)
C14 .044(6) .035(6) .033(6) -.004(5) .006(5) .002(5)
C15 .079(7) .044(6) .050(7) -.006(6) .010(6) .009(6)
C16 .096(8) .069(8) .028(6) -.025(6) .014(6) -.002(6)
C17 .097(8) .087(9) .051(7) .003(7) .038(6) .023(7)
C18 .020(5) .057(7) .054(7) .001(5) -.009(5) -.002(6)
C19 .044(8) .70(5) .086(11) -.087(16) -.031(8) .12(2)
C20 .097(11) .28(3) .30(3) .119(13) -.123(13) -.217(19)
C21 .101(11) .133(13) .246(19) -.049(10) -.116(12) .060(14)
C22 .032(5) .058(7) .040(6) -.010(5) .008(5) .006(5)
C23 .062(6) .060(7) .052(7) -.030(6) .015(5) .002(6)
C24 .061(6) .090(8) .055(7) -.028(6) .027(6) -.012(7)
C25 .069(7) .097(9) .063(7) -.029(7) .017(6) .031(7)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
Pd .51883(4) .57495(3) .63214(7) .0297(3) Uani
Br .39103(6) .53446(5) .40613(10) .0431(5) Uani
P .63187(14) .61957(11) .8212(3) .0384(12) Uani
C1 .4986(6) .7135(5) .7614(10) .041(5) Uani
C2 .4499(5) .6632(4) .6606(8) .032(5) Uani
C3 .3573(7) .6801(5) .5754(11) .052(6) Uani
C4 .3146(7) .7416(6) .5878(12) .071(7) Uani
C5 .3625(7) .7906(5) .6829(13) .071(7) Uani
C6 .4538(7) .7762(6) .7691(12) .060(7) Uani
C7 .5946(6) .6971(5) .8537(9) .047(6) Uani
C8 .7575(5) .6036(4) .9245(8) .028(5) Uani
C9 .8353(6) .6346(4) .8782(9) .030(5) Uani
C10 .9267(6) .6335(4) .9792(10) .036(5) Uani
C11 .9484(6) .6029(4) 1.1173(9) .034(5) Uani
C12 .8718(6) .5699(5) 1.1561(8) .036(5) Uani
C13 .7762(5) .5680(4) 1.0667(8) .031(5) Uani
C14 .8276(6) .6681(4) .7241(9) .038(5) Uani
C15 .8023(6) .7449(5) .7292(10) .059(6) Uani
C16 .7556(7) .6342(5) .5932(9) .065(6) Uani
C17 .9262(7) .6656(5) .6865(10) .075(7) Uani
C18 1.0520(6) .6026(5) 1.2207(11) .047(6) Uani
C19 1.0613(9) .5851(14) 1.3664(15) .29(2) Uani
C20 1.1126(9) .5587(10) 1.171(2) .256(17) Uani
C21 1.1011(9) .6653(7) 1.2313(19) .190(13) Uani
C22 .7003(6) .5283(5) 1.1265(9) .044(5) Uani
C23 .6391(6) .4793(5) 1.0070(10) .058(6) Uani
C24 .6317(6) .5778(5) 1.1793(10) .067(6) Uani
C25 .7479(7) .4825(6) 1.2592(10) .076(7) Uani
H3 .329(6) .655(4) .510(8) .05000 Uiso
H4 .258(5) .753(4) .519(8) .05000 Uiso
H5 .339(5) .837(4) .689(8) .05000 Uiso
H6 .490(6) .800(4) .819(9) .05000 Uiso
H7 .632(5) .732(4) .932(8) .05000 Uiso
H10 .986(5) .647(4) .959(8) .05000 Uiso
H12 .875(5) .546(4) 1.236(8) .05000 Uiso
H151 .73222 .74934 .75656 .05000 Uiso
H152 .85891 .76996 .81484 .05000 Uiso
H153 .79752 .76801 .62049 .05000 Uiso
H161 .77860 .58159 .58711 .05000 Uiso
H162 .68422 .63658 .61360 .05000 Uiso
H163 .75173 .65842 .48412 .05000 Uiso
H171 .98071 .69321 .77304 .05000 Uiso
H172 .94946 .61258 .68361 .05000 Uiso
H173 .92202 .68943 .57803 .05000 Uiso
H191 1.01832 .61548 1.41344 .05000 Uiso
H192 1.03381 .52953 1.35988 .05000 Uiso
H193 1.13621 .58116 1.43731 .05000 Uiso
H201 1.08305 .50671 1.16756 .05000 Uiso
H202 1.11659 .57391 1.06043 .05000 Uiso
H203 1.18691 .55796 1.24604 .05000 Uiso
H211 1.10552 .67880 1.12019 .05000 Uiso
H212 1.05846 .70193 1.27460 .05000 Uiso
H213 1.17487 .66362 1.30580 .05000 Uiso
H231 .60117 .50893 .91052 .05000 Uiso
H232 .68858 .44292 .97532 .05000 Uiso
H233 .58603 .45112 1.05123 .05000 Uiso
H241 .67493 .61014 1.26885 .05000 Uiso
H242 .59339 .60936 1.08604 .05000 Uiso
H243 .57821 .54949 1.22325 .05000 Uiso
H251 .79516 .44697 1.22392 .05000 Uiso
H252 .79034 .51578 1.34826 .05000 Uiso
H253 .69379 .45540 1.30197 .05000 Uiso
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C .017 .009 'Int. Tables Vol IV Tables 2.2B and 2.3.1'
H 0 0 'Int. Tables Vol IV Tables 2.2B and 2.3.1'
P .283 .434 'Int. Tables Vol IV Tables 2.2B and 2.3.1'
Br -.767 1.283 'Int. Tables Vol IV Tables 2.2B and 2.3.1'
Pd -.059 3.934 'Int. Tables Vol IV Tables 2.2B and 2.3.1'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Br Pd P . 174.85(7) yes
Br Pd C2 . 96.20(18) yes
Br Pd Br 3_666 84.27(4) yes
P Pd C2 . 80.65(19) yes
P Pd Br 3_666 98.79(6) yes
C2 Pd Br 3_666 178.5(3) yes
Pd Br Pd 3_666 95.73(4) yes
Pd P C7 . 107.7(3) yes
Pd P C8 . 139.0(3) yes
C7 P C8 . 112.1(4) yes
C2 C1 C6 . 119.9(7) ?
C2 C1 C7 . 117.5(8) yes
C6 C1 C7 . 122.5(8) ?
Pd C2 C1 . 120.6(5) yes
Pd C2 C3 . 123.0(6) ?
C1 C2 C3 . 116.1(8) ?
C2 C3 C4 . 122.5(8) ?
C2 C3 H3 . 120(6) ?
C4 C3 H3 . 118(6) ?
C3 C4 C5 . 121.2(8) ?
C3 C4 H4 . 119(5) ?
C5 C4 H4 . 118(5) ?
C4 C5 C6 . 118.3(9) ?
C4 C5 H5 . 125(4) ?
C6 C5 H5 . 117(4) ?
C1 C6 C5 . 121.9(9) ?
C1 C6 H6 . 109(6) ?
C5 C6 H6 . 129(6) ?
P C7 C1 . 113.0(6) yes
P C7 H7 . 127(4) ?
C1 C7 H7 . 120(4) ?
P C8 C9 . 120.1(6) ?
P C8 C13 . 118.8(6) ?
C9 C8 C13 . 120.3(6) ?
C8 C9 C10 . 117.0(7) ?
C8 C9 C14 . 125.7(6) ?
C10 C9 C14 . 117.2(7) ?
C9 C10 C11 . 125.4(8) ?
C9 C10 H10 . 126(4) ?
C11 C10 H10 . 108(4) ?
C10 C11 C12 . 116.2(7) ?
C10 C11 C18 . 122.0(8) ?
C12 C11 C18 . 121.8(7) ?
C11 C12 C13 . 124.4(7) ?
C11 C12 H12 . 127(5) ?
C13 C12 H12 . 109(5) ?
C8 C13 C12 . 116.5(7) ?
C8 C13 C22 . 125.9(6) ?
C12 C13 C22 . 117.6(7) ?
C9 C14 C15 . 110.1(7) ?
C9 C14 C16 . 115.0(7) ?
C9 C14 C17 . 110.2(6) ?
C15 C14 C16 . 109.6(6) ?
C15 C14 C17 . 105.7(7) ?
C16 C14 C17 . 105.8(7) ?
C14 C15 H151 . 108.5(8) ?
C14 C15 H152 . 109.1(7) ?
C14 C15 H153 . 109.6(8) ?
H151 C15 H152 . 109.9(8) ?
H151 C15 H153 . 109.8(7) ?
H152 C15 H153 . 110.0(8) ?
C14 C16 H161 . 107.8(7) ?
C14 C16 H162 . 108.1(8) ?
C14 C16 H163 . 113.9(8) ?
H161 C16 H162 . 111.0(8) ?
H161 C16 H163 . 107.8(8) ?
H162 C16 H163 . 108.3(7) ?
C14 C17 H171 . 109.4(8) ?
C14 C17 H172 . 109.7(8) ?
C14 C17 H173 . 111.0(7) ?
H171 C17 H172 . 109.1(8) ?
H171 C17 H173 . 108.5(9) ?
H172 C17 H173 . 109.2(9) ?
C11 C18 C19 . 116.6(9) ?
C11 C18 C20 . 112.0(9) ?
C11 C18 C21 . 114.9(9) ?
C19 C18 C20 . 105.3(13) ?
C19 C18 C21 . 103.4(14) ?
C20 C18 C21 . 103.2(11) ?
C18 C19 H191 . 110.9(18) ?
C18 C19 H192 . 104.0(14) ?
C18 C19 H193 . 116.0(12) ?
H191 C19 H192 . 109.9(14) ?
H191 C19 H193 . 112.2(15) ?
H192 C19 H193 . 103.2(19) ?
C18 C20 H201 . 108.8(13) ?
C18 C20 H202 . 109.5(14) ?
C18 C20 H203 . 112.0(15) ?
H201 C20 H202 . 110.1(15) ?
H201 C20 H203 . 107.5(14) ?
H202 C20 H203 . 108.9(14) ?
C18 C21 H211 . 107.3(12) ?
C18 C21 H212 . 106.9(12) ?
C18 C21 H213 . 113.2(12) ?
H211 C21 H212 . 111.5(12) ?
H211 C21 H213 . 109.0(13) ?
H212 C21 H213 . 108.9(13) ?
C13 C22 C23 . 111.8(7) ?
C13 C22 C24 . 110.7(7) ?
C13 C22 C25 . 112.2(7) ?
C23 C22 C24 . 109.5(7) ?
C23 C22 C25 . 105.0(7) ?
C24 C22 C25 . 107.5(8) ?
C22 C23 H231 . 108.9(7) ?
C22 C23 H232 . 108.4(7) ?
C22 C23 H233 . 111.0(8) ?
H231 C23 H232 . 110.2(8) ?
H231 C23 H233 . 109.5(7) ?
H232 C23 H233 . 108.8(8) ?
C22 C24 H241 . 109.1(7) ?
C22 C24 H242 . 109.5(8) ?
C22 C24 H243 . 110.6(8) ?
H241 C24 H242 . 109.9(9) ?
H241 C24 H243 . 108.5(8) ?
H242 C24 H243 . 109.2(7) ?
C22 C25 H251 . 108.5(8) ?
C22 C25 H252 . 107.1(8) ?
C22 C25 H253 . 111.7(8) ?
H251 C25 H252 . 110.4(8) ?
H251 C25 H253 . 110.5(9) ?
H252 C25 H253 . 108.5(9) ?
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
Pd Br . 2.5082(9) yes
Pd P . 2.217(2) yes
Pd C2 . 2.031(8) yes
Pd Br 3_666 2.5602(11) yes
P C7 . 1.657(9) yes
P C8 . 1.814(7) yes
C1 C2 . 1.404(11) yes
C1 C6 . 1.390(13) ?
C1 C7 . 1.441(10) yes
C2 C3 . 1.383(10) ?
C3 C4 . 1.364(14) ?
C3 H3 . .81(7) ?
C4 C5 . 1.354(14) ?
C4 H4 . .91(6) ?
C5 C6 . 1.360(13) ?
C5 H5 . .97(7) ?
C6 H6 . .75(7) ?
C7 H7 . 1.04(6) ?
C8 C9 . 1.416(11) ?
C8 C13 . 1.448(11) ?
C9 C10 . 1.384(10) ?
C9 C14 . 1.543(11) ?
C10 C11 . 1.369(12) ?
C10 H10 . .94(7) ?
C11 C12 . 1.386(12) ?
C11 C18 . 1.529(10) ?
C12 C13 . 1.390(10) ?
C12 H12 . .86(7) ?
C13 C22 . 1.538(12) ?
C14 C15 . 1.547(12) ?
C14 C16 . 1.515(11) ?
C14 C17 . 1.524(14) ?
C15 H151 . 1.089(9) ?
C15 H152 . 1.086(8) ?
C15 H153 . 1.086(9) ?
C16 H161 . 1.084(9) ?
C16 H162 . 1.076(10) ?
C16 H163 . 1.100(9) ?
C17 H171 . 1.098(9) ?
C17 H172 . 1.088(10) ?
C17 H173 . 1.092(10) ?
C18 C19 . 1.360(18) ?
C18 C20 . 1.37(2) ?
C18 C21 . 1.399(17) ?
C19 H191 . 1.02(2) ?
C19 H192 . 1.15(3) ?
C19 H193 . 1.095(11) ?
C20 H201 . 1.095(18) ?
C20 H202 . 1.077(19) ?
C20 H203 . 1.100(13) ?
C21 H211 . 1.075(18) ?
C21 H212 . 1.078(15) ?
C21 H213 . 1.091(12) ?
C22 C23 . 1.545(11) ?
C22 C24 . 1.535(13) ?
C22 C25 . 1.527(12) ?
C23 H231 . 1.080(8) ?
C23 H232 . 1.090(9) ?
C23 H233 . 1.093(10) ?
C24 H241 . 1.092(9) ?
C24 H242 . 1.082(9) ?
C24 H243 . 1.098(10) ?
C25 H251 . 1.071(11) ?
C25 H252 . 1.097(9) ?
C25 H253 . 1.086(11) ?
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_site_symmetry_1
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
P Pd Br Pd . . 3_666 126.6(8)
C2 Pd Br Pd . . 3_666 178.6(3)
Br Pd P C7 . . . 47.3(9)
Br Pd P C8 . . . -118.6(8)
C2 Pd P C7 . . . -5.2(5)
C2 Pd P C8 . . . -171.2(5)
Br Pd P C7 3_666 . . 173.4(4)
Br Pd P C8 3_666 . . 7.4(5)
Br Pd C2 C1 . . . -169.3(7)
Br Pd C2 C3 . . . 5.3(8)
P Pd C2 C1 . . . 6.6(7)
P Pd C2 C3 . . . -178.8(8)
Br Pd C2 C1 3_666 . . -61(8)
Br Pd C2 C3 3_666 . . 113(7)
P Pd Br Pd . 3_666 3_666 -175.82(7)
C2 Pd Br Pd . 3_666 3_666 -108(7)
Pd P C7 C1 . . . 4.0(8)
C8 P C7 C1 . . . 174.0(7)
Pd P C8 C9 . . . 91.2(7)
Pd P C8 C13 . . . -98.5(7)
C7 P C8 C9 . . . -74.3(8)
C7 P C8 C13 . . . 96.0(7)
C6 C1 C2 Pd . . . 173.9(8)
C6 C1 C2 C3 . . . -1.0(13)
C7 C1 C2 Pd . . . -6.1(11)
C7 C1 C2 C3 . . . 179.0(9)
C2 C1 C6 C5 . . . 1.0(16)
C7 C1 C6 C5 . . . -179.0(11)
C2 C1 C7 P . . . .8(11)
C6 C1 C7 P . . . -179.2(9)
Pd C2 C3 C4 . . . -175.0(8)
C1 C2 C3 C4 . . . -.3(14)
C2 C3 C4 C5 . . . 1.7(17)
C3 C4 C5 C6 . . . -1.7(18)
C4 C5 C6 C1 . . . .4(18)
P C8 C9 C10 . . . 165.5(6)
P C8 C9 C14 . . . -16.0(11)
C13 C8 C9 C10 . . . -4.6(11)
C13 C8 C9 C14 . . . 173.9(7)
P C8 C13 C12 . . . -166.6(6)
P C8 C13 C22 . . . 13.7(11)
C9 C8 C13 C12 . . . 3.7(11)
C9 C8 C13 C22 . . . -176.0(8)
C8 C9 C10 C11 . . . 2.4(12)
C14 C9 C10 C11 . . . -176.2(8)
C8 C9 C14 C15 . . . 90.1(9)
C8 C9 C14 C16 . . . -34.3(11)
C8 C9 C14 C17 . . . -153.6(8)
C10 C9 C14 C15 . . . -91.4(9)
C10 C9 C14 C16 . . . 144.2(8)
C10 C9 C14 C17 . . . 24.9(10)
C9 C10 C11 C12 . . . .9(13)
C9 C10 C11 C18 . . . 178.6(8)
C10 C11 C12 C13 . . . -1.9(13)
C18 C11 C12 C13 . . . -179.7(8)
C10 C11 C18 C19 . . . 165.4(15)
C10 C11 C18 C20 . . . -73.2(13)
C10 C11 C18 C21 . . . 44.1(14)
C12 C11 C18 C19 . . . -17.0(17)
C12 C11 C18 C20 . . . 104.4(13)
C12 C11 C18 C21 . . . -138.3(11)
C11 C12 C13 C8 . . . -.3(12)
C11 C12 C13 C22 . . . 179.4(8)
C8 C13 C22 C23 . . . 48.0(11)
C8 C13 C22 C24 . . . -74.3(10)
C8 C13 C22 C25 . . . 165.6(8)
C12 C13 C22 C23 . . . -131.7(8)
C12 C13 C22 C24 . . . 106.0(8)
C12 C13 C22 C25 . . . -14.1(11)