#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/33/4323372.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_4323372
loop_
_publ_author_name
'Anthea L. Airey'
'Gerhard F. Swiegers'
'Anthony C. Willis'
'S. Bruce Wild'
_publ_contact_author
;
      Dr S. Bruce Wild
      Research School of Chemistry
      Institute of Advanced Studies
      Australian National University
      Canberra, A.C.T.
      Australia    0200
;
_publ_contact_author_email       willis@RSC3.anu.edu.au
_publ_contact_author_fax         '61 6 249 0750'
_publ_section_title
;
 Self-Assembly of Homochiral Double Helix and Side-by-Side Helix
 Conformers of Double-Stranded Disilver(I)- and Digold(I)-Tetra(tertiary
 phosphine) Helicates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1588
_journal_page_last               1597
_journal_paper_doi               10.1021/ic9610344
_journal_volume                  36
_journal_year                    1997
_chemical_formula_moiety         'C62 H70 N2 P4 Pd2 2+, (F6 P -)2'
_chemical_formula_structural
;
[Pd2 (C42 H42 P4) (C10 H14 N)2], (P F6)2
;
_chemical_formula_sum            'C62 H70 F12 N2 P6 Pd2'
_chemical_formula_weight         1469.89
_chemical_name_systematic
;
[SP-4-4-[(RC),(RP,RP)]]-bis[1-[1-dimethylamino)ethyl]-2-phenyl-
C²,N](1,1,4,7,10,10-hexaphenyl-1,4,7,10-tetraphosphadecane-
P,P,P,P)dipalladium(II) hexafluorophosphate
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_date             97-07-09
_audit_creation_method           from_xtal_archive_file_using_CIFIO
_audit_update_record
;
97-07-09  acw edits cif of first compound of IC9610344
;
_cell_angle_alpha                90.0
_cell_angle_beta                 103.090(10)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   10.841(3)
_cell_length_b                   13.668(2)
_cell_length_c                   22.330(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      20
_cell_measurement_theta_min      16
_cell_volume                     3222.8(11)
_computing_cell_refinement       xtal_LATCON
_computing_data_collection
;
Philips PW1100/20 software 1976
;
_computing_data_reduction        xtal_DIFDAT_ABSORB_SORTRF_ADDREF
_computing_molecular_graphics    xtal
_computing_publication_material  xtal_BONDLA_CIFIO
_computing_structure_refinement  xtal_CRYLSQ
_computing_structure_solution    xtal
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Philips PW1100/20'
_diffrn_measurement_method       'ω--2θ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         xray_tube
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  .011
_diffrn_reflns_av_sigmaI/netI    .036
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            5914
_diffrn_reflns_reduction_process perpendicular_monochr_Lp
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.33
_diffrn_standards_decay_%        4
_diffrn_standards_interval_time  180
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .79
_exptl_absorpt_correction_T_max  .894
_exptl_absorpt_correction_T_min  .867
_exptl_absorpt_correction_type   analytical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_density_meas      ?
_exptl_crystal_description
;
fragment from cluster
;
_exptl_crystal_F_000             1492
_exptl_crystal_size_max          .20
_exptl_crystal_size_mid          .18
_exptl_crystal_size_min          .17
_refine_diff_density_max         .483
_refine_diff_density_min         -.346
_refine_ls_abs_structure_details Flack_xabs_refined
_refine_ls_abs_structure_Flack   0.00(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   2.01
_refine_ls_goodness_of_fit_obs   2.043
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     757
_refine_ls_number_reflns         4418
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .054
_refine_ls_R_factor_obs          .036
_refine_ls_shift/esd_max         .014
_refine_ls_shift/esd_mean        .002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
w = 1/[σ²(F)] 
where σ²(I) = σ²(Idiff) + 0.0004 × (total counts)²
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .039
_refine_ls_wR_factor_obs         .034
_reflns_d_resolution_high        .84
_reflns_d_resolution_low         8.752
_reflns_limit_h_max              12
_reflns_limit_h_min              -12
_reflns_limit_k_max              16
_reflns_limit_k_min              0
_reflns_limit_l_max              26
_reflns_limit_l_min              0
_reflns_number_observed          4418
_reflns_number_total             5941
_reflns_observed_criterion       refl_observed_if_Inet_>_3.00_sigma(Inet)
_cod_data_source_file            ic9610344_1.cif
_cod_data_source_block           gfs8
_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 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_Hall     P_2y1
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4323372
loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+z
-x,1/2+y,-z
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
_atom_site_calc_flag
_atom_site_calc_attached_atom
Pd1 .51062(7) .00000 .37866(3) .0325(4) Uani ? ?
Pd2 .43501(8) .33436(7) .13115(3) .0377(4) Uani ? ?
P1 .7018(3) .0658(2) .43709(13) .0394(16) Uani ? ?
P2 .4547(2) .1569(2) .35800(11) .0346(14) Uani ? ?
P3 .3710(3) .1862(2) .15243(11) .0393(15) Uani ? ?
P4 .6038(2) .2500(3) .10401(11) .0436(14) Uani ? ?
C1 .7042(10) .1926(8) .4126(5) .046(6) Uani ? ?
C2 .5733(9) .2364(8) .4065(4) .049(6) Uani ? ?
C3 .4525(9) .2013(7) .2804(4) .045(6) Uani ? ?
C4 .3486(9) .1602(8) .2293(4) .040(5) Uani ? ?
C5 .4891(10) .0935(8) .1424(5) .052(7) Uani ? ?
C6 .5463(10) .1250(8) .0900(5) .049(6) Uani ? ?
C11 .7211(9) .0723(7) .5197(4) .040(6) Uani ? ?
C12 .6265(10) .0365(7) .5461(5) .052(7) Uani ? ?
C13 .6403(12) .0425(9) .6083(6) .065(8) Uani ? ?
C14 .7462(16) .0799(10) .6462(6) .077(10) Uani ? ?
C15 .8427(13) .1151(10) .6220(6) .074(9) Uani ? ?
C16 .8288(11) .1134(9) .5572(6) .065(8) Uani ? ?
C21 .8421(9) .0088(10) .4211(4) .049(6) Uani ? ?
C22 .8462(10) .0032(12) .3601(5) .064(7) Uani ? ?
C23 .9374(12) -.0516(11) .3422(5) .079(9) Uani ? ?
C24 1.0309(12) -.0966(10) .3857(7) .074(9) Uani ? ?
C25 1.0316(10) -.0871(8) .4470(5) .059(7) Uani ? ?
C26 .9354(10) -.0346(8) .4637(5) .049(6) Uani ? ?
C31 .3108(9) .1981(8) .3778(4) .036(6) Uani ? ?
C32 .2553(10) .1419(8) .4156(5) .048(6) Uani ? ?
C33 .1542(11) .1752(10) .4370(5) .056(7) Uani ? ?
C34 .1051(9) .2652(11) .4205(5) .058(7) Uani ? ?
C35 .1588(11) .3241(9) .3842(6) .063(7) Uani ? ?
C36 .2607(10) .2909(8) .3608(5) .051(7) Uani ? ?
C41 .2298(10) .1451(8) .0998(5) .046(7) Uani ? ?
C42 .1961(12) .1856(10) .0406(6) .074(8) Uani ? ?
C43 .0952(13) .1515(12) -.0027(6) .091(10) Uani ? ?
C44 .0179(13) .0812(12) .0131(6) .086(10) Uani ? ?
C45 .0474(11) .0402(10) .0689(7) .077(9) Uani ? ?
C46 .1533(12) .0715(10) .1135(5) .062(8) Uani ? ?
C51 .7391(9) .2343(8) .1672(4) .042(6) Uani ? ?
C52 .7548(9) .2895(7) .2188(5) .053(7) Uani ? ?
C53 .8561(11) .2752(9) .2683(5) .063(8) Uani ? ?
C54 .9430(11) .2053(9) .2649(5) .065(8) Uani ? ?
C55 .9306(12) .1498(9) .2132(6) .078(8) Uani ? ?
C56 .8325(12) .1654(9) .1637(5) .062(7) Uani ? ?
C61 .6635(10) .2819(7) .0369(4) .050(6) Uani ? ?
C62 .5782(9) .2876(8) -.0192(5) .059(7) Uani ? ?
C63 .6187(14) .3112(9) -.0714(5) .073(8) Uani ? ?
C64 .7426(16) .3287(12) -.0687(6) .087(10) Uani ? ?
C65 .8282(13) .3236(14) -.0136(7) .106(11) Uani ? ?
C66 .7898(11) .3024(10) .0396(6) .079(9) Uani ? ?
N1 .5480(8) -.1537(7) .3970(4) .048(5) Uani ? ?
C70 .6765(13) -.1855(9) .4292(6) .084(9) Uani ? ?
C71 .4615(12) -.1860(8) .4355(5) .069(7) Uani ? ?
C72 .5080(10) -.2001(7) .3342(5) .049(6) Uani ? ?
C73 .6032(10) -.1859(9) .2956(5) .069(8) Uani ? ?
C74 .3828(9) -.1577(8) .3041(4) .039(5) Uani ? ?
C75 .3566(9) -.0601(7) .3184(4) .035(5) Uani ? ?
C76 .2369(9) -.0253(7) .2913(4) .042(6) Uani ? ?
C77 .1502(9) -.0812(8) .2506(4) .042(6) Uani ? ?
C78 .1789(9) -.1716(9) .2352(4) .052(6) Uani ? ?
C79 .2950(10) -.2123(7) .2621(4) .051(6) Uani ? ?
N2 .4713(9) .4819(6) .1076(4) .051(6) Uani ? ?
C80 .6025(14) .5083(12) .1057(6) .092(10) Uani ? ?
C81 .3922(13) .4975(10) .0441(5) .081(8) Uani ? ?
C82 .4201(12) .5443(8) .1504(5) .056(7) Uani ? ?
C83 .5110(12) .5471(9) .2143(5) .079(8) Uani ? ?
C84 .2950(10) .5014(11) .1552(4) .055(6) Uani ? ?
C85 .2811(10) .4015(8) .1537(4) .040(6) Uani ? ?
C86 .1661(11) .3659(9) .1613(5) .060(8) Uani ? ?
C87 .0729(12) .4264(12) .1713(6) .077(10) Uani ? ?
C88 .0848(14) .5257(12) .1716(6) .088(11) Uani ? ?
C89 .1987(14) .5654(9) .1635(6) .073(8) Uani ? ?
P5 .2467(3) .0008(3) .61888(15) .0627(18) Uani ? ?
F51 .3060(8) -.0261(8) .5623(4) .127(7) Uani ? ?
F52 .1491(9) -.0855(6) .5989(4) .125(7) Uani ? ?
F53 .1551(8) .0732(6) .5775(4) .113(6) Uani ? ?
F54 .1908(8) .0223(8) .6759(4) .126(7) Uani ? ?
F55 .3448(8) .0829(6) .6392(4) .117(6) Uani ? ?
F56 .3402(8) -.0747(5) .6597(3) .100(5) Uani ? ?
P6 .2158(4) .3349(4) .86407(16) .079(2) Uani ? ?
F61 .1426(11) .4268(9) .8359(7) .212(11) Uani ? ?
F62 .0967(9) .3006(11) .8751(6) .233(14) Uani ? ?
F63 .2523(13) .3861(15) .9221(5) .286(17) Uani ? ?
F64 .2876(10) .2512(11) .8941(9) .285(13) Uani ? ?
F65 .3350(11) .3846(11) .8540(7) .226(14) Uani ? ?
F66 .1817(16) .2991(14) .8021(6) .279(19) Uani ? ?
H1A .76395 .22845 .44216 .08000 Uiso c ?
H1B .72706 .19540 .37397 .08000 Uiso c ?
H2A .57057 .29939 .38830 .08000 Uiso c ?
H2B .55543 .24199 .44614 .08000 Uiso c ?
H3A .44299 .27042 .28042 .08000 Uiso c ?
H3B .53157 .18528 .27129 .08000 Uiso c ?
H4A .27010 .18780 .23287 .08000 Uiso c ?
H4B .34599 .09130 .23419 .08000 Uiso c ?
H5A .55352 .08858 .17907 .08000 Uiso c ?
H5B .44897 .03173 .13335 .08000 Uiso c ?
H6A .48386 .12226 .05257 .08000 Uiso c ?
H6B .61464 .08294 .08751 .08000 Uiso c ?
H12 .55260 .00800 .52113 .08000 Uiso c ?
H13 .57344 .01980 .62585 .08000 Uiso c ?
H14 .75315 .08153 .68940 .08000 Uiso c ?
H15 .91768 .14014 .64810 .08000 Uiso c ?
H16 .89302 .14034 .53943 .08000 Uiso c ?
H22 .78529 .03753 .33020 .08000 Uiso c ?
H23 .93635 -.05850 .29971 .08000 Uiso c ?
H24 1.09452 -.13408 .37325 .08000 Uiso c ?
H25 1.09707 -.11601 .47740 .08000 Uiso c ?
H26 .93469 -.02889 .50598 .08000 Uiso c ?
H32 .28791 .07839 .42717 .08000 Uiso c ?
H33 .11834 .13520 .46345 .08000 Uiso c ?
H34 .03308 .28713 .43427 .08000 Uiso c ?
H35 .12685 .38831 .37476 .08000 Uiso c ?
H36 .29517 .33078 .33378 .08000 Uiso c ?
H42 .24488 .23814 .03037 .08000 Uiso c ?
H43 .07861 .17644 -.04350 .08000 Uiso c ?
H44 -.05664 .06153 -.01564 .08000 Uiso c ?
H45 -.00416 -.01097 .07864 .08000 Uiso c ?
H46 .17234 .04205 .15304 .08000 Uiso c ?
H52 .69478 .33925 .22102 .08000 Uiso c ?
H53 .86460 .31398 .30428 .08000 Uiso c ?
H54 1.01274 .19496 .29873 .08000 Uiso c ?
H55 .99056 .09974 .21164 .08000 Uiso c ?
H56 .82779 .12939 .12683 .08000 Uiso c ?
H62 .49096 .27521 -.02163 .08000 Uiso c ?
H63 .55909 .31520 -.10977 .08000 Uiso c ?
H64 .77007 .34448 -.10509 .08000 Uiso c ?
H65 .91536 .33468 -.01190 .08000 Uiso c ?
H66 .84952 .30198 .07795 .08000 Uiso c ?
H70A .67684 -.25464 .43379 .08000 Uiso c ?
H70B .73503 -.16737 .40532 .08000 Uiso c ?
H70C .70167 -.15637 .46874 .08000 Uiso c ?
H71A .37740 -.16659 .41684 .08000 Uiso c ?
H71B .46497 -.25523 .43941 .08000 Uiso c ?
H71C .48663 -.15686 .47498 .08000 Uiso c ?
H72 .49747 -.26832 .33938 .08000 Uiso c ?
H73A .61456 -.11773 .29057 .08000 Uiso c ?
H73B .68120 -.21426 .31640 .08000 Uiso c ?
H73C .57806 -.21507 .25610 .08000 Uiso c ?
H76 .21386 .03883 .30104 .08000 Uiso c ?
H77 .06880 -.05498 .23314 .08000 Uiso c ?
H78 .11937 -.20795 .20581 .08000 Uiso c ?
H79 .31468 -.27700 .25188 .08000 Uiso c ?
H80A .60372 .57450 .09278 .08000 Uiso c ?
H80B .65480 .50147 .14578 .08000 Uiso c ?
H80C .63535 .46822 .07819 .08000 Uiso c ?
H81A .30679 .47996 .04273 .08000 Uiso c ?
H81B .39586 .56427 .03279 .08000 Uiso c ?
H81C .42500 .45739 .01660 .08000 Uiso c ?
H82 .40755 .60880 .13427 .08000 Uiso c ?
H83A .52228 .48256 .23033 .08000 Uiso c ?
H83B .59039 .57259 .21039 .08000 Uiso c ?
H83C .47820 .58724 .24174 .08000 Uiso c ?
H86 .15179 .29730 .15971 .08000 Uiso c ?
H87 -.00290 .39849 .17818 .08000 Uiso c ?
H88 .01752 .56677 .17715 .08000 Uiso c ?
H89 .21081 .63428 .16377 .08000 Uiso c ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C ? 0 124 .002 .002
;
International Tables for X-ray Crystallography (Vol IV) Tables 2.2B and 2.3.1
;
H ? 0 140 0 0
;
International Tables for X-ray Crystallography (Vol IV) Tables 2.2B and 2.3.1
;
F ? 0 24 .014 .01
;
International Tables for X-ray Crystallography (Vol IV) Tables 2.2B and 2.3.1
;
N ? 0 4 .004 .003
;
International Tables for X-ray Crystallography (Vol IV) Tables 2.2B and 2.3.1
;
P ? 0 12 .09 .095
;
International Tables for X-ray Crystallography (Vol IV) Tables 2.2B and 2.3.1
;
PD ? 0 4 -1.177 1.007
;
International Tables for X-ray Crystallography (Vol IV) Tables 2.2B and 2.3.1
;
loop_
_diffrn_attenuator_code
_diffrn_attenuator_scale
? ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Pd1 P2 84.97(9) . . . ?
P1 Pd1 N1 99.3(2) . . . ?
P1 Pd1 C75 172.3(3) . . . ?
P2 Pd1 N1 175.3(2) . . . ?
P2 Pd1 C75 96.0(3) . . . ?
N1 Pd1 C75 80.0(3) . . . ?
P3 Pd2 P4 84.68(12) . . . ?
P3 Pd2 N2 172.6(3) . . . ?
P3 Pd2 C85 92.5(3) . . . ?
P4 Pd2 N2 101.6(3) . . . ?
P4 Pd2 C85 176.8(3) . . . ?
N2 Pd2 C85 81.1(4) . . . ?
Pd1 P1 C1 105.5(3) . . . ?
Pd1 P1 C11 117.8(4) . . . ?
Pd1 P1 C21 113.4(4) . . . ?
C1 P1 C11 104.7(5) . . . ?
C1 P1 C21 106.3(6) . . . ?
C11 P1 C21 108.2(4) . . . ?
Pd1 P2 C2 108.8(3) . . . ?
Pd1 P2 C3 117.1(3) . . . ?
Pd1 P2 C31 117.1(4) . . . ?
C2 P2 C3 102.7(5) . . . ?
C2 P2 C31 101.4(5) . . . ?
C3 P2 C31 107.6(4) . . . ?
Pd2 P3 C4 119.5(3) . . . ?
Pd2 P3 C5 109.8(4) . . . ?
Pd2 P3 C41 113.9(4) . . . ?
C4 P3 C5 102.9(5) . . . ?
C4 P3 C41 106.3(5) . . . ?
C5 P3 C41 102.6(5) . . . ?
Pd2 P4 C6 104.3(4) . . . ?
Pd2 P4 C51 113.5(4) . . . ?
Pd2 P4 C61 122.5(4) . . . ?
C6 P4 C51 102.1(5) . . . ?
C6 P4 C61 104.8(5) . . . ?
C51 P4 C61 107.2(5) . . . ?
P1 C1 C2 109.0(8) . . . ?
P1 C1 H1A 109.6 . . . ?
P1 C1 H1B 109.6 . . . ?
C2 C1 H1A 109.6 . . . ?
C2 C1 H1B 109.6 . . . ?
H1A C1 H1B 109.5 . . . ?
P2 C2 C1 109.5(7) . . . ?
P2 C2 H2A 109.5 . . . ?
P2 C2 H2B 109.5 . . . ?
C1 C2 H2A 109.5( . . . ?
C1 C2 H2B 109.5 . . . ?
H2A C2 H2B 109.5 . . . ?
P2 C3 C4 115.9(7) . . . ?
P2 C3 H3A 107.9 . . . ?
P2 C3 H3B 107.8 . . . ?
C4 C3 H3A 107.9 . . . ?
C4 C3 H3B 107.8 . . . ?
H3A C3 H3B 109.5 . . . ?
P3 C4 C3 113.7(7) . . . ?
P3 C4 H4A 108.4 . . . ?
P3 C4 H4B 108.4 . . . ?
C3 C4 H4A 108.4 . . . ?
C3 C4 H4B 108.4 . . . ?
H4A C4 H4B 109.5 . . . ?
P3 C5 C6 108.4(7) . . . ?
P3 C5 H5A 109.7 . . . ?
P3 C5 H5B 109.7 . . . ?
C6 C5 H5A 109.8 . . . ?
C6 C5 H5B 109.8 . . . ?
H5A C5 H5B 109.5 . . . ?
P4 C6 C5 108.7(7) . . . ?
P4 C6 H6A 109.7 . . . ?
P4 C6 H6B 109.7 . . . ?
C5 C6 H6A 109.7 . . . ?
C5 C6 H6B 109.6 . . . ?
H6A C6 H6B 109.5 . . . ?
P1 C11 C12 119.4(7) . . . ?
P1 C11 C16 121.4(9) . . . ?
C12 C11 C16 119.2(10) . . . ?
C11 C12 C13 119.5(10) . . . ?
C11 C12 H12 120.2 . . . ?
C13 C12 H12 120.3 . . . ?
C12 C13 C14 122.4(13) . . . ?
C12 C13 H13 118.8 . . . ?
C14 C13 H13 118.8 . . . ?
C13 C14 C15 119.9(12) . . . ?
C13 C14 H14 120.0 . . . ?
C15 C14 H14 120.1 . . . ?
C14 C15 C16 118.8(11) . . . ?
C14 C15 H15 120.6 . . . ?
C16 C15 H15 120.6 . . . ?
C11 C16 C15 120.1(12) . . . ?
C11 C16 H16 120.0 . . . ?
C15 C16 H16 120.0 . . . ?
P1 C21 C22 115.7(8) . . . ?
P1 C21 C26 125.1(8) . . . ?
C22 C21 C26 118.9(11) . . . ?
C21 C22 C23 120.5(11) . . . ?
C21 C22 H22 119.7 . . . ?
C23 C22 H22 119.8 . . . ?
C22 C23 C24 120.1(12) . . . ?
C22 C23 H23 120.0 . . . ?
C24 C23 H23 120.0 . . . ?
C23 C24 C25 119.9(13) . . . ?
C23 C24 H24 120.1 . . . ?
C25 C24 H24 120.1 . . . ?
C24 C25 C26 118.8(10) . . . ?
C24 C25 H25 120.6 . . . ?
C26 C25 H25 120.6 . . . ?
C21 C26 C25 121.7(10) . . . ?
C21 C26 H26 119.1 . . . ?
C25 C26 H26 119.1 . . . ?
P2 C31 C32 119.8(8) . . . ?
P2 C31 C36 121.4(8) . . . ?
C32 C31 C36 118.5(10) . . . ?
C31 C32 C33 121.6(10) . . . ?
C31 C32 H32 119.2 . . . ?
C33 C32 H32 119.2 . . . ?
C32 C33 C34 120.2(11) . . . ?
C32 C33 H33 119.9 . . . ?
C34 C33 H33 119.9 . . . ?
C33 C34 C35 120.1(11) . . . ?
C33 C34 H34 119.9 . . . ?
C35 C34 H34 119.9 . . . ?
C34 C35 C36 120.7(11) . . . ?
C34 C35 H35 119.6 . . . ?
C36 C35 H35 119.7 . . . ?
C31 C36 C35 118.9(11) . . . ?
C31 C36 H36 120.6 . . . ?
C35 C36 H36 120.6 . . . ?
P3 C41 C42 119.6(9) . . . ?
P3 C41 C46 123.2(8) . . . ?
C42 C41 C46 117.1(10) . . . ?
C41 C42 C43 121.9(13) . . . ?
C41 C42 H42 119.1 . . . ?
C43 C42 H42 119.1 . . . ?
C42 C43 C44 119.5(12) . . . ?
C42 C43 H43 120.2 . . . ?
C44 C43 H43 120.3 . . . ?
C43 C44 C45 120.2(12) . . . ?
C43 C44 H44 119.9 . . . ?
C45 C44 H44 119.9 . . . ?
C44 C45 C46 121.1(13) . . . ?
C44 C45 H45 119.5 . . . ?
C46 C45 H45 119.4 . . . ?
C41 C46 C45 120.0(11) . . . ?
C41 C46 H46 120.0 . . . ?
C45 C46 H46 120.0 . . . ?
P4 C51 C52 121.5(8) . . . ?
P4 C51 C56 120.5(7) . . . ?
C52 C51 C56 118.0(8) . . . ?
C51 C52 C53 121.6(10) . . . ?
C51 C52 H52 119.2 . . . ?
C53 C52 H52 119.2 . . . ?
C52 C53 C54 119.4(11) . . . ?
C52 C53 H53 120.3 . . . ?
C54 C53 H53 120.3 . . . ?
C53 C54 C55 120.2(10) . . . ?
C53 C54 H54 119.9 . . . ?
C55 C54 H54 119.9 . . . ?
C54 C55 C56 120.6(12) . . . ?
C54 C55 H55 119.7 . . . ?
C56 C55 H55 119.7 . . . ?
C51 C56 C55 120.0(11) . . . ?
C51 C56 H56 120.0 . . . ?
C55 C56 H56 120.0 . . . ?
P4 C61 C62 118.1(8) . . . ?
P4 C61 C66 123.1(8) . . . ?
C62 C61 C66 118.8(10) . . . ?
C61 C62 C63 120.4(11) . . . ?
C61 C62 H62 119.8 . . . ?
C63 C62 H62 119.8 . . . ?
C62 C63 C64 120.6(11) . . . ?
C62 C63 H63 119.7 . . . ?
C64 C63 H63 119.7 . . . ?
C63 C64 C65 119.7(15) . . . ?
C63 C64 H64 120.1 . . . ?
C65 C64 H64 120.2 . . . ?
C64 C65 C66 120.9(14) . . . ?
C64 C65 H65 119.5 . . . ?
C66 C65 H65 119.6 . . . ?
C61 C66 C65 119.6(11) . . . ?
C61 C66 H66 120.2 . . . ?
C65 C66 H66 120.2 . . . ?
Pd1 N1 C70 119.5(7) . . . ?
Pd1 N1 C71 106.5(7) . . . ?
Pd1 N1 C72 103.3(5) . . . ?
C70 N1 C71 106.3(9) . . . ?
C70 N1 C72 111.6(9) . . . ?
C71 N1 C72 109.2(8) . . . ?
N1 C70 H70A 108.9 . . . ?
N1 C70 H70B 108.9 . . . ?
N1 C70 H70C 111.6 . . . ?
H70A C70 H70B 109.5 . . . ?
H70A C70 H70C 108.9 . . . ?
H70B C70 H70C 108.9 . . . ?
N1 C71 H71A 109.6 . . . ?
N1 C71 H71B 109.6 . . . ?
N1 C71 H71C 109.2 . . . ?
H71A C71 H71B 109.5 . . . ?
H71A C71 H71C 109.5 . . . ?
H71B C71 H71C 109.5 . . . ?
N1 C72 C73 112.9(8) . . . ?
N1 C72 C74 107.2(8) . . . ?
N1 C72 H72 108.4 . . . ?
C73 C72 C74 111.5(9) . . . ?
C73 C72 H72 108.3 . . . ?
C74 C72 H72 108.4 . . . ?
C72 C73 H73A 108.6 . . . ?
C72 C73 H73B 108.6 . . . ?
C72 C73 H73C 112.9 . . . ?
H73A C73 H73B 109.5 . . . ?
H73A C73 H73C 108.6 . . . ?
H73B C73 H73C 108.6 . . . ?
C72 C74 C75 118.3(8) . . . ?
C72 C74 C79 120.6(9) . . . ?
C75 C74 C79 121.1(8) . . . ?
Pd1 C75 C74 110.4(6) . . . ?
Pd1 C75 C76 133.4(7) . . . ?
C74 C75 C76 116.1(8) . . . ?
C75 C76 C77 121.9(9) . . . ?
C75 C76 H76 119.1 . . . ?
C77 C76 H76 119.0 . . . ?
C76 C77 C78 121.1(9) . . . ?
C76 C77 H77 119.5 . . . ?
C78 C77 H77 119.4 . . . ?
C77 C78 C79 120.1(9) . . . ?
C77 C78 H78 119.9 . . . ?
C79 C78 H78 119.9 . . . ?
C74 C79 C78 119.6(9) . . . ?
C74 C79 H79 120.3 . . . ?
C78 C79 H79 120.1 . . . ?
Pd2 N2 C80 118.0(8) . . . ?
Pd2 N2 C81 105.6(7) . . . ?
Pd2 N2 C82 105.5(7) . . . ?
C80 N2 C81 106.6(9) . . . ?
C80 N2 C82 112.4(9) . . . ?
C81 N2 C82 108.1(9) . . . ?
N2 C80 H80A 108.7 . . . ?
N2 C80 H80B 108.7 . . . ?
N2 C80 H80C 112.4 . . . ?
H80A C80 H80B 109.5 . . . ?
H80A C80 H80C 108.7 . . . ?
H80B C80 H80C 108.8 . . . ?
N2 C81 H81A 109.8 . . . ?
N2 C81 H81B 109.8 . . . ?
N2 C81 H81C 108.1 . . . ?
H81A C81 H81B 109.5 . . . ?
H81A C81 H81C 109.8 . . . ?
H81B C81 H81C 109.8 . . . ?
N2 C82 C83 111.0(10) . . . ?
N2 C82 C84 107.3(9) . . . ?
N2 C82 H82 109.5 . . . ?
C83 C82 C84 110.0(9) . . . ?
C83 C82 H82 109.5 . . . ?
C84 C82 H82 109.5 . . . ?
C82 C83 H83A 109.1 . . . ?
C82 C83 H83B 109.1 . . . ?
C82 C83 H83C 111.0 . . . ?
H83A C83 H83B 109.5 . . . ?
H83A C83 H83C 109.1 . . . ?
H83B C83 H83C 109.1 . . . ?
C82 C84 C85 118.8(11) . . . ?
C82 C84 C89 118.4(12) . . . ?
C85 C84 C89 122.8(11) . . . ?
Pd2 C85 C84 110.9(8) . . . ?
Pd2 C85 C86 132.4(8) . . . ?
C84 C85 C86 116.3(10) . . . ?
C85 C86 C87 121.9(12) . . . ?
C85 C86 H86 119.1 . . . ?
C87 C86 H86 119.0 . . . ?
C86 C87 C88 122.2(13) . . . ?
C86 C87 H87 118.9 . . . ?
C88 C87 H87 118.9 . . . ?
C87 C88 C89 118.1(14) . . . ?
C87 C88 H88 120.9 . . . ?
C89 C88 H88 121.0 . . . ?
C84 C89 C88 118.6(12) . . . ?
C84 C89 H89 120.8 . . . ?
C88 C89 H89 120.6 . . . ?
F51 P5 F52 88.1(5) . . . ?
F51 P5 F53 89.6(5) . . . ?
F51 P5 F54 177.2(6) . . . ?
F51 P5 F55 91.5(5) . . . ?
F51 P5 F56 89.1(5) . . . ?
F52 P5 F53 90.6(5) . . . ?
F52 P5 F54 90.7(5) . . . ?
F52 P5 F55 178.4(5) . . . ?
F52 P5 F56 88.6(5) . . . ?
F53 P5 F54 92.9(5) . . . ?
F53 P5 F55 91.0(5) . . . ?
F53 P5 F56 178.5(5) . . . ?
F54 P5 F55 89.5(5) . . . ?
F54 P5 F56 88.3(5) . . . ?
F55 P5 F56 89.8(4) . . . ?
F61 P6 F62 86.4(8) . . . ?
F61 P6 F63 88.9(9) . . . ?
F61 P6 F64 176.6(9) . . . ?
F61 P6 F65 87.2(8) . . . ?
F61 P6 F66 83.6(9) . . . ?
F62 P6 F63 94.5(8) . . . ?
F62 P6 F64 94.1(8) . . . ?
F62 P6 F65 172.4(9) . . . ?
F62 P6 F66 90.5(9) . . . ?
F63 P6 F64 87.6(10) . . . ?
F63 P6 F65 81.2(9) . . . ?
F63 P6 F66 170.7(11) . . . ?
F64 P6 F65 92.1(8) . . . ?
F64 P6 F66 99.8(11) . . . ?
F65 P6 F66 93.0(10) . . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd1 P1 2.363(3) . . ?
Pd1 P2 2.247(3) . . ?
Pd1 N1 2.161(9) . . ?
Pd1 C75 2.063(8) . . ?
Pd2 P3 2.227(3) . . ?
Pd2 P4 2.356(3) . . ?
Pd2 N2 2.142(9) . . ?
Pd2 C85 2.064(11) . . ?
P1 C1 1.820(11) . . ?
P1 C11 1.810(10) . . ?
P1 C21 1.815(11) . . ?
P2 C2 1.838(10) . . ?
P2 C3 1.832(10) . . ?
P2 C31 1.805(11) . . ?
P3 C4 1.821(9) . . ?
P3 C5 1.851(12) . . ?
P3 C41 1.796(10) . . ?
P4 C6 1.820(11) . . ?
P4 C51 1.802(9) . . ?
P4 C61 1.816(11) . . ?
C1 C2 1.517(15) . . ?
C1 H1A .95 . . ?
C1 H1B .95 . . ?
C2 H2A .95 . . ?
C2 H2B .95 . . ?
C3 C4 1.518(12) . . ?
C3 H3A .95 . . ?
C3 H3B .95 . . ?
C4 H4A .95 . . ?
C4 H4B .95 . . ?
C5 C6 1.506(16) . . ?
C5 H5A .95 . . ?
C5 H5B .95 . . ?
C6 H6A .95 . . ?
C6 H6B .95 . . ?
C11 C12 1.383(16) . . ?
C11 C16 1.391(14) . . ?
C12 C13 1.367(17) . . ?
C12 H12 .95 . . ?
C13 C14 1.363(19) . . ?
C13 H13 .95 . . ?
C14 C15 1.37(2) . . ?
C14 H14 .95 . . ?
C15 C16 1.422(18) . . ?
C15 H15 .95 . . ?
C16 H16 .95 . . ?
C21 C22 1.376(15) . . ?
C21 C26 1.357(13) . . ?
C22 C23 1.37(2) . . ?
C22 H22 .95 . . ?
C23 C24 1.379(17) . . ?
C23 H23 .95 . . ?
C24 C25 1.37(2) . . ?
C24 H24 .95 . . ?
C25 C26 1.385(17) . . ?
C25 H25 .95 . . ?
C26 H26 .95 . . ?
C31 C32 1.378(15) . . ?
C31 C36 1.398(14) . . ?
C32 C33 1.367(17) . . ?
C32 H32 .95 . . ?
C33 C34 1.358(19) . . ?
C33 H33 .95 . . ?
C34 C35 1.363(19) . . ?
C34 H34 .95 . . ?
C35 C36 1.400(18) . . ?
C35 H35 .95 . . ?
C36 H36 .95 . . ?
C41 C42 1.402(16) . . ?
C41 C46 1.381(17) . . ?
C42 C43 1.369(17) . . ?
C42 H42 .95 . . ?
C43 C44 1.37(2) . . ?
C43 H43 .95 . . ?
C44 C45 1.34(2) . . ?
C44 H44 .95 . . ?
C45 C46 1.405(16) . . ?
C45 H45 .95 . . ?
C46 H46 .95 . . ?
C51 C52 1.355(15) . . ?
C51 C56 1.399(17) . . ?
C52 C53 1.385(14) . . ?
C52 H52 .95 . . ?
C53 C54 1.356(17) . . ?
C53 H53 .95 . . ?
C54 C55 1.362(18) . . ?
C54 H54 .95 . . ?
C55 C56 1.367(16) . . ?
C55 H55 .95 . . ?
C56 H56 .95 . . ?
C61 C62 1.379(13) . . ?
C61 C66 1.385(17) . . ?
C62 C63 1.375(18) . . ?
C62 H62 .95 . . ?
C63 C64 1.35(2) . . ?
C63 H63 .95 . . ?
C64 C65 1.37(2) . . ?
C64 H64 .95 . . ?
C65 C66 1.37(2) . . ?
C65 H65 .95 . . ?
C66 H66 .95 . . ?
N1 C70 1.481(15) . . ?
N1 C71 1.476(16) . . ?
N1 C72 1.511(13) . . ?
C70 H70A .95 . . ?
C70 H70B .95 . . ?
C70 H70C .95 . . ?
C71 H71A .95 . . ?
C71 H71B .95 . . ?
C71 H71C .95 . . ?
C72 C73 1.499(17) . . ?
C72 C74 1.489(13) . . ?
C72 H72 .95 . . ?
C73 H73A .95 . . ?
C73 H73B .95 . . ?
C73 H73C .95 . . ?
C74 C75 1.415(14) . . ?
C74 C79 1.392(13) . . ?
C75 C76 1.386(13) . . ?
C76 C77 1.381(13) . . ?
C76 H76 .95 . . ?
C77 C78 1.338(16) . . ?
C77 H77 .95 . . ?
C78 C79 1.382(14) . . ?
C78 H78 .95 . . ?
C79 H79 .95 . . ?
N2 C80 1.478(18) . . ?
N2 C81 1.497(13) . . ?
N2 C82 1.479(15) . . ?
C80 H80A .95 . . ?
C80 H80B .95 . . ?
C80 H80C .95 . . ?
C81 H81A .95 . . ?
C81 H81B .95 . . ?
C81 H81C .95 . . ?
C82 C83 1.540(15) . . ?
C82 C84 1.504(18) . . ?
C82 H82 .95 . . ?
C83 H83A .95 . . ?
C83 H83B .95 . . ?
C83 H83C .95 . . ?
C84 C85 1.373(18) . . ?
C84 C89 1.41(2) . . ?
C85 C86 1.384(17) . . ?
C86 C87 1.36(2) . . ?
C86 H86 .95 . . ?
C87 C88 1.36(2) . . ?
C87 H87 .95 . . ?
C88 C89 1.40(2) . . ?
C88 H88 .95 . . ?
C89 H89 .95 . . ?
P5 F51 1.586(10) . . ?
P5 F52 1.581(9) . . ?
P5 F53 1.550(9) . . ?
P5 F54 1.557(10) . . ?
P5 F55 1.542(9) . . ?
P5 F56 1.583(8) . . ?
P6 F61 1.541(13) . . ?
P6 F62 1.446(12) . . ?
P6 F63 1.447(15) . . ?
P6 F64 1.459(15) . . ?
P6 F65 1.521(14) . . ?
P6 F66 1.435(14) . . ?
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
? ? ? ? ? ?
loop_
_reflns_scale_group_code
_reflns_scale_meas_F
? 1.7663
