# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

#===============================================================================
data_global
#===============================================================================
_audit_creation_date             2013/07/23

# 1. SUBMISSION DETAILS

_publ_contact_author_name        'Duncan Carmichael'
_publ_contact_author_address     
;Laboratoire DCPH
Ecole Polytechnique
Route de Saclay
F91128 Palaiseau
France
;
_publ_contact_author_email       duncan_carmichael@yahoo.co.uk
_publ_contact_author_phone       33016933415
_publ_contact_author_fax         330169334440

_publ_contact_letter             
;
     Please consider this CIF submission for publication as a new structure
     paper in Chemical Communication. The figures, chemical
     structure diagram (scheme), Transfert of Copyright Agreement form and
     structure factors will be sent on receipt of your acknowledgement letter
;
#===============================================================================

# 2. PROCESSING SUMMARY (IUCr Office Use Only)

_journal_date_recd_electronic    ?

_journal_date_to_coeditor        ?
_journal_date_from_coeditor      ?
_journal_date_accepted           ?

_journal_date_printers_first     ?
_journal_date_printers_final     ?
_journal_date_proofs_out         ?
_journal_date_proofs_in          ?


_journal_coeditor_name           ?
_journal_coeditor_code           ?
_journal_coeditor_notes          
; ?
;

_journal_techeditor_code         ?
_journal_techeditor_notes        
; ?
;

_journal_coden_ASTM              ?
_journal_name_full               ?
_journal_year                    ?
_journal_volume                  ?

_journal_issue                   ?
_journal_page_first              ?
_journal_page_last               ?

_journal_suppl_publ_number       ?
_journal_suppl_publ_pages        ?

#===============================================================================

# 3. TITLE AND AUTHOR LIST

_publ_section_title              
;
Redox- active phosphines: synthesis and crystal structures of palladium (II) 
complexes of metallaphosphines in two different oxidation states.
;
# The loop structure below should contain the names  and addresses of all
# authors, in the required order  of publication. Repeat as necessary.


loop_
_publ_author_name
;
Ayham TohmÃ a
Stephanie Labouille b 
Thierry Roisnel a 
Vincent Dorcet a  
Duncan Carmichael b 
FrÃdÃric Paul a
;
_publ_author_address             
;
a)
Institut des Sciences Chimiques de Rennes, 
CNRS (UMR 6226) UniversitÃ de Rennes 1, 
Campus de Beaulieu, 
F-35042 Rennes Cedex, 
France 
b)Laboratoire Heteroelements et Coordination, 
CNRS UMR 7653,
DCPH Ecole Polytechnique,
F-91128 Palaiseau Cedex
France
;

#===============================================================================
# 4. TEXT

_publ_section_abstract           
; ?
;

_publ_section_comment            
; 
;
_publ_section_exptl_prep         
;
;

_publ_section_references         
;
;


_publ_section_figure_captions    
; ?
;

_publ_section_acknowledgements   
; ?
;


#===============================================================================
# If more than one structure is reported, sections 5-10 should be filled in
# per structure. For each data set, replace the ? in the data_? line below
# by a unique identifier.


#===============================================================================


#\#CIF_1.1

#  CIF produced by WinGX routine CIF_UPDATE
#  Created on 2013-04-19 at 15:20:18
#  Using CIFtbx version 2.6.2 16 Jun 1998

#  Dictionary name : cif_core.dic
#  Dictionary vers : 2.3
#  Request file    : c:\progs\wingx\files\archive.dat
#  CIF files read  : AY304 struct


#----------------------------------------------------------------------------#
#  CIF file completed and formatted by CRYSCAL (March 2013)                   #
#  Date of diffraction experiment : 19avr13                                  #
#----------------------------------------------------------------------------#

#----------------------------------------------------------------------------#
#----------------------------------------------------------------------------#

data_AY304

_audit_creation_date             2013-04-19T15:20:18-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_publ_requested_category         FM

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C100 H98 Cl4 Fe2 P6 Pd2,2(C H2 Cl2)'
_chemical_formula_sum            'C102 H102 Cl8 Fe2 P6 Pd2'
_chemical_formula_weight         2121.76
_chemical_compound_source        'synthesis as described'

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.4656(4)
_cell_length_b                   13.7616(4)
_cell_length_c                   28.8882(9)
_cell_angle_alpha                97.9600(10)
_cell_angle_beta                 95.6140(10)
_cell_angle_gamma                113.0550(10)
_cell_volume                     4809.8(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9900
_cell_measurement_theta_min      2.5
_cell_measurement_theta_max      26.9
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       prism
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.18
_exptl_crystal_density_diffrn    1.465
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2168
_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    1.032
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
  [Sheldrick, G.M. (2002). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_absorpt_correction_T_min  0.706
_exptl_absorpt_correction_T_max  0.830


#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_measurement_device_type  'APEXII, Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_detector                 'CCD plate'
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_reflns_av_R_equivalents  0.0515
_diffrn_reflns_av_unetI/netI     0.0567
_diffrn_reflns_number            77732
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_theta_min         2.95
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_reflns_number_total             21741
_reflns_number_gt                16808
_reflns_threshold_expression     >2sigma(I)

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'Bruker APEX2 (Bruker, 2006)'
_computing_cell_refinement       'Bruker APEX2 (Bruker, 2006)'
_computing_data_reduction        'Bruker APEX2 (Bruker, 2006)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  
;
           WinGX publication routines (Farrugia, 2012),
           CRYSCAL (T. Roisnel, local program)
;

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0474P)²+16.2367P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         21741
_refine_ls_number_parameters     1061
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0758
_refine_ls_R_factor_gt           0.0558
_refine_ls_wR_factor_ref         0.1385
_refine_ls_wR_factor_gt          0.1277
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_restrained_S_all      1.056
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0
_refine_diff_density_max         2.08
_refine_diff_density_min         -1.95
_refine_diff_density_rms         0.111

# End of res file
#----------------------------------------------------------------------------#

#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'


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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.42509(3) 0.02315(3) 0.202335(11) 0.02131(8) Uani 1 1 d . . .
Pd2 Pd 0.55837(3) 0.10308(3) 0.314149(11) 0.02207(8) Uani 1 1 d . . .
Fe1 Fe 0.41494(5) 0.37071(5) 0.10436(2) 0.02294(14) Uani 1 1 d . . .
Fe2 Fe 0.15825(5) 0.10919(4) 0.39102(2) 0.01952(13) Uani 1 1 d . . .
P1 P 0.46427(9) 0.05745(9) 0.13179(4) 0.0228(2) Uani 1 1 d . . .
P2 P 0.45868(9) 0.41951(8) 0.18173(4) 0.0215(2) Uani 1 1 d . . .
P3 P 0.24781(9) 0.28542(9) 0.11728(4) 0.0259(2) Uani 1 1 d . . .
P4 P 0.51058(9) 0.10371(8) 0.38603(4) 0.0205(2) Uani 1 1 d . . .
P5 P 0.08393(9) -0.01995(8) 0.32764(4) 0.0205(2) Uani 1 1 d . . .
P6 P 0.22139(9) 0.21808(8) 0.34196(4) 0.0211(2) Uani 1 1 d . . .
Cl1 Cl 0.24923(9) -0.00783(10) 0.17356(4) 0.0347(3) Uani 1 1 d . . .
Cl2 Cl 0.60619(9) 0.07514(10) 0.23570(4) 0.0310(2) Uani 1 1 d . . .
Cl3 Cl 0.38423(8) -0.02536(8) 0.27902(4) 0.0244(2) Uani 1 1 d . . .
Cl4 Cl 0.73263(9) 0.22594(10) 0.34414(4) 0.0384(3) Uani 1 1 d . . .
C1 C 0.3828(4) -0.0554(4) 0.08373(16) 0.0284(10) Uani 1 1 d . . .
C2 C 0.3172(4) -0.1564(4) 0.09141(19) 0.0359(11) Uani 1 1 d . . .
H2 H 0.3101 -0.1678 0.1228 0.043 Uiso 1 1 calc R . .
C3 C 0.2619(4) -0.2410(4) 0.0532(2) 0.0456(14) Uani 1 1 d . . .
H3 H 0.2168 -0.31 0.0585 0.055 Uiso 1 1 calc R . .
C4 C 0.2720(4) -0.2250(5) 0.0078(2) 0.0479(15) Uani 1 1 d . . .
H4 H 0.2344 -0.2834 -0.0181 0.058 Uiso 1 1 calc R . .
C5 C 0.3364(4) -0.1250(5) -0.00056(19) 0.0459(14) Uani 1 1 d . . .
H5 H 0.3431 -0.1144 -0.0321 0.055 Uiso 1 1 calc R . .
C6 C 0.3912(4) -0.0405(4) 0.03724(17) 0.0364(11) Uani 1 1 d . . .
H6 H 0.435 0.0286 0.0315 0.044 Uiso 1 1 calc R . .
C7 C 0.6029(5) 0.0751(6) 0.1260(3) 0.0648(8) Uani 1 1 d . . .
C8 C 0.6267(5) -0.0123(6) 0.1126(2) 0.0648(8) Uani 1 1 d . . .
H8 H 0.5715 -0.0834 0.1081 0.078 Uiso 1 1 calc R . .
C9 C 0.7334(5) 0.0047(6) 0.1056(2) 0.0648(8) Uani 1 1 d . . .
H9 H 0.7504 -0.0547 0.0952 0.078 Uiso 1 1 calc R . .
C10 C 0.8138(5) 0.1085(6) 0.1140(2) 0.0648(8) Uani 1 1 d . . .
H10 H 0.886 0.1197 0.1092 0.078 Uiso 1 1 calc R . .
C11 C 0.7918(5) 0.1946(6) 0.1289(2) 0.0648(8) Uani 1 1 d . . .
H11 H 0.8484 0.2652 0.1356 0.078 Uiso 1 1 calc R . .
C12 C 0.6861(5) 0.1783(6) 0.1343(2) 0.0648(8) Uani 1 1 d . . .
H12 H 0.6698 0.2386 0.1438 0.078 Uiso 1 1 calc R . .
C13 C 0.4535(4) 0.1702(4) 0.11958(15) 0.0258(9) Uani 1 1 d . . .
C14 C 0.4371(3) 0.2507(3) 0.11445(14) 0.0239(9) Uani 1 1 d . . .
C21 C 0.4663(4) 0.3533(4) 0.03799(16) 0.0296(10) Uani 1 1 d . . .
C22 C 0.5545(4) 0.4348(4) 0.07247(16) 0.0300(10) Uani 1 1 d . . .
C23 C 0.5189(4) 0.5185(4) 0.08684(17) 0.0327(11) Uani 1 1 d . . .
C24 C 0.4104(4) 0.4870(4) 0.06295(17) 0.0333(11) Uani 1 1 d . . .
C25 C 0.3789(4) 0.3845(4) 0.03279(16) 0.0303(10) Uani 1 1 d . . .
C26 C 0.4723(4) 0.2562(4) 0.00962(17) 0.0370(11) Uani 1 1 d . . .
H26A H 0.3981 0.2018 -0.0032 0.056 Uiso 1 1 calc R . .
H26B H 0.5108 0.2263 0.0301 0.056 Uiso 1 1 calc R . .
H26C H 0.5121 0.2771 -0.0166 0.056 Uiso 1 1 calc R . .
C27 C 0.6635(4) 0.4348(4) 0.08701(18) 0.0367(11) Uani 1 1 d . . .
H27A H 0.7126 0.4672 0.0652 0.055 Uiso 1 1 calc R . .
H27B H 0.6556 0.3606 0.0861 0.055 Uiso 1 1 calc R . .
H27C H 0.6943 0.4766 0.1193 0.055 Uiso 1 1 calc R . .
C28 C 0.5912(5) 0.6275(4) 0.11633(19) 0.0418(12) Uani 1 1 d . . .
H28A H 0.6104 0.6811 0.0959 0.063 Uiso 1 1 calc R . .
H28B H 0.658 0.6255 0.132 0.063 Uiso 1 1 calc R . .
H28C H 0.5521 0.6471 0.1403 0.063 Uiso 1 1 calc R . .
C29 C 0.3466(5) 0.5550(4) 0.0619(2) 0.0434(13) Uani 1 1 d . . .
H29A H 0.3859 0.6226 0.0848 0.065 Uiso 1 1 calc R . .
H29B H 0.2743 0.5162 0.07 0.065 Uiso 1 1 calc R . .
H29C H 0.3378 0.5706 0.03 0.065 Uiso 1 1 calc R . .
C30 C 0.2790(4) 0.3323(5) -0.00451(17) 0.0424(13) Uani 1 1 d . . .
H30A H 0.2972 0.3539 -0.0346 0.064 Uiso 1 1 calc R . .
H30B H 0.2221 0.3547 0.005 0.064 Uiso 1 1 calc R . .
H30C H 0.2522 0.2539 -0.0084 0.064 Uiso 1 1 calc R . .
C31 C 0.4392(3) 0.5331(3) 0.21506(15) 0.0239(9) Uani 1 1 d . . .
C32 C 0.4577(4) 0.5538(3) 0.26447(16) 0.0270(9) Uani 1 1 d . . .
H32 H 0.4875 0.5136 0.2809 0.032 Uiso 1 1 calc R . .
C33 C 0.4330(4) 0.6328(4) 0.29001(18) 0.0330(11) Uani 1 1 d . . .
H33 H 0.4428 0.6439 0.3236 0.04 Uiso 1 1 calc R . .
C34 C 0.3945(4) 0.6949(4) 0.2665(2) 0.0394(12) Uani 1 1 d . . .
H34 H 0.3794 0.75 0.2839 0.047 Uiso 1 1 calc R . .
C35 C 0.3781(4) 0.6767(4) 0.2178(2) 0.0417(12) Uani 1 1 d . . .
H35 H 0.3527 0.7203 0.2016 0.05 Uiso 1 1 calc R . .
C36 C 0.3981(4) 0.5951(4) 0.19186(18) 0.0335(11) Uani 1 1 d . . .
H36 H 0.3837 0.5817 0.1582 0.04 Uiso 1 1 calc R . .
C41 C 0.5936(4) 0.4409(3) 0.21145(15) 0.0249(9) Uani 1 1 d . . .
C42 C 0.6787(4) 0.5436(4) 0.22040(18) 0.0356(11) Uani 1 1 d . . .
H42 H 0.6653 0.602 0.2117 0.043 Uiso 1 1 calc R . .
C43 C 0.7832(4) 0.5613(4) 0.2420(2) 0.0414(12) Uani 1 1 d . . .
H43 H 0.8408 0.6312 0.2474 0.05 Uiso 1 1 calc R . .
C44 C 0.8029(4) 0.4779(4) 0.25543(18) 0.0383(12) Uani 1 1 d . . .
H44 H 0.8736 0.4902 0.2708 0.046 Uiso 1 1 calc R . .
C45 C 0.7191(4) 0.3755(4) 0.24647(18) 0.0375(11) Uani 1 1 d . . .
H45 H 0.7328 0.3175 0.2555 0.045 Uiso 1 1 calc R . .
C46 C 0.6160(4) 0.3573(4) 0.22446(16) 0.0313(10) Uani 1 1 d . . .
H46 H 0.5596 0.2866 0.2182 0.038 Uiso 1 1 calc R . .
C47 C 0.3643(3) 0.3086(3) 0.20596(15) 0.0242(9) Uani 1 1 d . . .
H47A H 0.3821 0.2452 0.2001 0.029 Uiso 1 1 calc R . .
H47B H 0.3705 0.3309 0.2406 0.029 Uiso 1 1 calc R . .
C48 C 0.2489(4) 0.2810(4) 0.18128(15) 0.0311(10) Uani 1 1 d . . .
H48A H 0.2217 0.333 0.1961 0.037 Uiso 1 1 calc R . .
H48B H 0.1995 0.2082 0.185 0.037 Uiso 1 1 calc R . .
C51 C 0.1452(4) 0.3391(4) 0.10398(17) 0.0309(10) Uani 1 1 d . . .
C52 C 0.1430(4) 0.4269(4) 0.13354(19) 0.0408(12) Uani 1 1 d . . .
H52 H 0.1904 0.4556 0.1633 0.049 Uiso 1 1 calc R . .
C53 C 0.0730(5) 0.4726(5) 0.1202(3) 0.0574(16) Uani 1 1 d . . .
H53 H 0.0718 0.5316 0.1412 0.069 Uiso 1 1 calc R . .
C54 C 0.0039(5) 0.4338(6) 0.0765(3) 0.0602(17) Uani 1 1 d . . .
H54 H -0.043 0.4667 0.067 0.072 Uiso 1 1 calc R . .
C55 C 0.0056(5) 0.3465(5) 0.0475(2) 0.0542(15) Uani 1 1 d . . .
H55 H -0.0415 0.3181 0.0176 0.065 Uiso 1 1 calc R . .
C56 C 0.0745(4) 0.2998(5) 0.06097(19) 0.0414(12) Uani 1 1 d . . .
H56 H 0.0736 0.2393 0.0403 0.05 Uiso 1 1 calc R . .
C61 C 0.1679(4) 0.1435(4) 0.08907(17) 0.0305(10) Uani 1 1 d . . .
C62 C 0.0716(4) 0.0842(4) 0.1044(2) 0.0437(13) Uani 1 1 d . . .
H62 H 0.0485 0.1171 0.1298 0.052 Uiso 1 1 calc R . .
C63 C 0.0089(5) -0.0224(4) 0.0832(2) 0.0494(14) Uani 1 1 d . . .
H63 H -0.0576 -0.0615 0.0937 0.059 Uiso 1 1 calc R . .
C64 C 0.0422(4) -0.0715(4) 0.0473(2) 0.0446(13) Uani 1 1 d . . .
H64 H -0.0009 -0.1447 0.033 0.054 Uiso 1 1 calc R . .
C65 C 0.1383(4) -0.0149(4) 0.03193(18) 0.0398(12) Uani 1 1 d . . .
H65 H 0.1617 -0.0489 0.0071 0.048 Uiso 1 1 calc R . .
C66 C 0.2007(4) 0.0924(4) 0.05294(16) 0.0315(10) Uani 1 1 d . . .
H66 H 0.2669 0.1312 0.0423 0.038 Uiso 1 1 calc R . .
C71 C 0.6059(4) 0.2118(3) 0.43363(15) 0.0249(9) Uani 1 1 d . . .
C72 C 0.5827(4) 0.2988(3) 0.44962(16) 0.0286(10) Uani 1 1 d . . .
H72 H 0.5168 0.3018 0.4363 0.034 Uiso 1 1 calc R . .
C73 C 0.6565(4) 0.3825(4) 0.48555(18) 0.0383(12) Uani 1 1 d . . .
H73 H 0.6414 0.443 0.496 0.046 Uiso 1 1 calc R . .
C74 C 0.7503(5) 0.3775(4) 0.50564(19) 0.0434(13) Uani 1 1 d . . .
H74 H 0.7992 0.4338 0.5305 0.052 Uiso 1 1 calc R . .
C75 C 0.7744(4) 0.2897(4) 0.48966(19) 0.0432(13) Uani 1 1 d . . .
H75 H 0.8396 0.2861 0.5034 0.052 Uiso 1 1 calc R . .
C76 C 0.7020(4) 0.2081(4) 0.45351(17) 0.0345(11) Uani 1 1 d . . .
H76 H 0.7185 0.1488 0.4422 0.041 Uiso 1 1 calc R . .
C77 C 0.5151(4) -0.0175(3) 0.40196(15) 0.0252(9) Uani 1 1 d . . .
C78 C 0.5808(4) -0.0628(4) 0.38212(16) 0.0330(11) Uani 1 1 d . . .
H78 H 0.6233 -0.0305 0.3596 0.04 Uiso 1 1 calc R . .
C79 C 0.5845(5) -0.1543(4) 0.39493(18) 0.0435(13) Uani 1 1 d . . .
H79 H 0.6294 -0.185 0.3813 0.052 Uiso 1 1 calc R . .
C80 C 0.5228(5) -0.2010(4) 0.4276(2) 0.0474(15) Uani 1 1 d . . .
H80 H 0.5248 -0.2645 0.4362 0.057 Uiso 1 1 calc R . .
C81 C 0.4585(5) -0.1562(4) 0.44795(19) 0.0435(13) Uani 1 1 d . . .
H81 H 0.4172 -0.1882 0.4709 0.052 Uiso 1 1 calc R . .
C82 C 0.4541(4) -0.0653(4) 0.43512(17) 0.0351(11) Uani 1 1 d . . .
H82 H 0.409 -0.035 0.449 0.042 Uiso 1 1 calc R . .
C83 C 0.3837(4) 0.1008(3) 0.39010(15) 0.0240(9) Uani 1 1 d . . .
C84 C 0.2924(3) 0.1006(3) 0.38964(14) 0.0204(8) Uani 1 1 d . . .
C91 C 0.1965(4) 0.1957(4) 0.46127(16) 0.0297(10) Uani 1 1 d . . .
C92 C 0.1657(4) 0.0839(3) 0.46149(15) 0.0266(9) Uani 1 1 d . . .
C93 C 0.0555(4) 0.0269(3) 0.43771(15) 0.0238(9) Uani 1 1 d . . .
C94 C 0.0181(4) 0.1027(4) 0.42192(16) 0.0278(10) Uani 1 1 d . . .
C95 C 0.1051(4) 0.2063(4) 0.43733(16) 0.0295(10) Uani 1 1 d . . .
C96 C 0.3018(5) 0.2836(4) 0.48766(19) 0.0431(13) Uani 1 1 d . . .
H96A H 0.3123 0.3509 0.4769 0.065 Uiso 1 1 calc R . .
H96B H 0.3628 0.2643 0.4816 0.065 Uiso 1 1 calc R . .
H96C H 0.2992 0.293 0.5217 0.065 Uiso 1 1 calc R . .
C97 C 0.2326(4) 0.0380(4) 0.48755(16) 0.0336(11) Uani 1 1 d . . .
H97A H 0.229 0.0511 0.5214 0.05 Uiso 1 1 calc R . .
H97B H 0.3088 0.0723 0.4829 0.05 Uiso 1 1 calc R . .
H97C H 0.204 -0.0397 0.4755 0.05 Uiso 1 1 calc R . .
C98 C -0.0142(4) -0.0898(4) 0.43716(17) 0.0323(11) Uani 1 1 d . . .
H98A H 0.0253 -0.1335 0.4272 0.048 Uiso 1 1 calc R . .
H98B H -0.0827 -0.1133 0.4149 0.048 Uiso 1 1 calc R . .
H98C H -0.0306 -0.0986 0.469 0.048 Uiso 1 1 calc R . .
C99 C -0.0981(4) 0.0792(4) 0.40254(19) 0.0380(12) Uani 1 1 d . . .
H99A H -0.1403 0.0744 0.4286 0.057 Uiso 1 1 calc R . .
H99B H -0.1302 0.0106 0.3798 0.057 Uiso 1 1 calc R . .
H99C H -0.0998 0.137 0.3866 0.057 Uiso 1 1 calc R . .
C100 C 0.0943(5) 0.3106(4) 0.4352(2) 0.0461(14) Uani 1 1 d . . .
H10A H 0.0534 0.305 0.4043 0.069 Uiso 1 1 calc R . .
H10B H 0.1672 0.3693 0.4397 0.069 Uiso 1 1 calc R . .
H10C H 0.0551 0.3251 0.4603 0.069 Uiso 1 1 calc R . .
C101 C 0.1144(3) -0.1393(3) 0.32566(15) 0.0232(9) Uani 1 1 d . . .
C102 C 0.1671(4) -0.1553(3) 0.36560(16) 0.0279(10) Uani 1 1 d . . .
H102 H 0.1894 -0.103 0.3941 0.033 Uiso 1 1 calc R . .
C103 C 0.1878(4) -0.2472(4) 0.36457(19) 0.0404(12) Uani 1 1 d . . .
H103 H 0.2239 -0.2575 0.3922 0.048 Uiso 1 1 calc R . .
C104 C 0.1555(5) -0.3230(4) 0.3231(2) 0.0445(13) Uani 1 1 d . . .
H104 H 0.1691 -0.3859 0.3224 0.053 Uiso 1 1 calc R . .
C105 C 0.1041(4) -0.3082(4) 0.28317(19) 0.0406(12) Uani 1 1 d . . .
H105 H 0.0828 -0.3603 0.2547 0.049 Uiso 1 1 calc R . .
C106 C 0.0831(4) -0.2168(4) 0.28428(17) 0.0321(10) Uani 1 1 d . . .
H106 H 0.0469 -0.2071 0.2565 0.039 Uiso 1 1 calc R . .
C111 C -0.0659(3) -0.0852(3) 0.30816(16) 0.0248(9) Uani 1 1 d . . .
C112 C -0.1292(4) -0.1826(3) 0.32105(16) 0.0286(10) Uani 1 1 d . . .
H112 H -0.0945 -0.2178 0.3384 0.034 Uiso 1 1 calc R . .
C113 C -0.2419(4) -0.2275(4) 0.3085(2) 0.0399(12) Uani 1 1 d . . .
H113 H -0.2839 -0.2932 0.3177 0.048 Uiso 1 1 calc R . .
C114 C -0.2942(4) -0.1793(4) 0.2832(2) 0.0473(14) Uani 1 1 d . . .
H114 H -0.3717 -0.2108 0.275 0.057 Uiso 1 1 calc R . .
C115 C -0.2327(4) -0.0838(5) 0.2695(2) 0.0459(13) Uani 1 1 d . . .
H115 H -0.2679 -0.0503 0.2514 0.055 Uiso 1 1 calc R . .
C116 C -0.1199(4) -0.0374(4) 0.28234(19) 0.0374(11) Uani 1 1 d . . .
H116 H -0.0787 0.0286 0.2732 0.045 Uiso 1 1 calc R . .
C117 C 0.1320(4) 0.0322(3) 0.27457(15) 0.0263(9) Uani 1 1 d . . .
H11A H 0.1471 -0.0222 0.2538 0.032 Uiso 1 1 calc R . .
H11B H 0.0743 0.0462 0.2565 0.032 Uiso 1 1 calc R . .
C118 C 0.2353(3) 0.1355(3) 0.28918(14) 0.0218(8) Uani 1 1 d . . .
H11C H 0.247 0.1758 0.2629 0.026 Uiso 1 1 calc R . .
H11D H 0.2994 0.1184 0.2964 0.026 Uiso 1 1 calc R . .
C121 C 0.3590(4) 0.3285(3) 0.35817(16) 0.0275(10) Uani 1 1 d . . .
C122 C 0.4487(4) 0.3256(4) 0.33942(16) 0.0279(10) Uani 1 1 d . . .
H122 H 0.4401 0.2644 0.3169 0.034 Uiso 1 1 calc R . .
C123 C 0.5514(4) 0.4108(4) 0.35296(18) 0.0382(12) Uani 1 1 d . . .
H123 H 0.6119 0.408 0.3394 0.046 Uiso 1 1 calc R . .
C124 C 0.5651(4) 0.4995(4) 0.3862(2) 0.0468(14) Uani 1 1 d . . .
H124 H 0.6347 0.5584 0.3951 0.056 Uiso 1 1 calc R . .
C125 C 0.4787(5) 0.5023(4) 0.4060(2) 0.0517(15) Uani 1 1 d . . .
H125 H 0.4888 0.5623 0.4295 0.062 Uiso 1 1 calc R . .
C126 C 0.3753(4) 0.4180(4) 0.3921(2) 0.0414(13) Uani 1 1 d . . .
H126 H 0.3154 0.4216 0.406 0.05 Uiso 1 1 calc R . .
C131 C 0.1438(4) 0.2860(3) 0.31471(16) 0.0261(9) Uani 1 1 d . . .
C132 C 0.0310(4) 0.2418(4) 0.31035(18) 0.0335(11) Uani 1 1 d . . .
H132 H -0.0042 0.1841 0.3259 0.04 Uiso 1 1 calc R . .
C133 C -0.0319(5) 0.2805(5) 0.2835(2) 0.0435(13) Uani 1 1 d . . .
H133 H -0.1094 0.2493 0.2806 0.052 Uiso 1 1 calc R . .
C134 C 0.0200(5) 0.3653(4) 0.26085(18) 0.0414(13) Uani 1 1 d . . .
H134 H -0.022 0.3908 0.2415 0.05 Uiso 1 1 calc R . .
C135 C 0.1319(5) 0.4118(4) 0.26659(17) 0.0360(12) Uani 1 1 d . . .
H135 H 0.167 0.4715 0.2521 0.043 Uiso 1 1 calc R . .
C136 C 0.1950(4) 0.3733(3) 0.29313(16) 0.0285(10) Uani 1 1 d . . .
H136 H 0.2726 0.4061 0.2966 0.034 Uiso 1 1 calc R . .
C201 C 0.9984(6) 0.7705(7) 0.1473(3) 0.082(2) Uani 1 1 d . . .
H20A H 1.0561 0.836 0.1407 0.098 Uiso 1 1 calc R . .
H20B H 1.0337 0.7411 0.17 0.098 Uiso 1 1 calc R . .
Cl11 Cl 0.9412(2) 0.67562(15) 0.09467(9) 0.0963(7) Uani 1 1 d . . .
Cl12 Cl 0.90338(17) 0.80679(18) 0.17396(7) 0.0807(6) Uani 1 1 d . . .
C211 C 0.8641(6) 0.4955(5) 0.3975(3) 0.071(2) Uani 1 1 d . . .
H21A H 0.8162 0.4451 0.4155 0.086 Uiso 1 1 calc R . .
H21B H 0.829 0.4728 0.3638 0.086 Uiso 1 1 calc R . .
Cl21 Cl 0.8752(2) 0.62385(17) 0.41849(14) 0.1322(12) Uani 1 1 d . . .
Cl22 Cl 0.9828(2) 0.4878(2) 0.4023(2) 0.228(3) Uani 1 1 d . . .





#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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
Pd1 P1 2.2217(11) . ?
Pd1 Cl1 2.2816(11) . ?
Pd1 Cl2 2.3174(11) . ?
Pd1 Cl3 2.4529(10) . ?
Pd2 P4 2.2331(11) . ?
Pd2 Cl4 2.2814(12) . ?
Pd2 Cl3 2.3333(11) . ?
Pd2 Cl2 2.4364(11) . ?
Fe1 C14 1.845(5) . ?
Fe1 C22 2.104(4) . ?
Fe1 C21 2.115(4) . ?
Fe1 C25 2.129(4) . ?
Fe1 C23 2.133(4) . ?
Fe1 C24 2.142(5) . ?
Fe1 P3 2.1906(13) . ?
Fe1 P2 2.1931(12) . ?
Fe2 C84 1.860(4) . ?
Fe2 C91 2.109(4) . ?
Fe2 C92 2.112(4) . ?
Fe2 C95 2.128(4) . ?
Fe2 C93 2.139(4) . ?
Fe2 C94 2.142(4) . ?
Fe2 P6 2.1915(12) . ?
Fe2 P5 2.2044(12) . ?
P1 C13 1.694(5) . ?
P1 C7 1.813(6) . ?
P1 C1 1.820(4) . ?
P2 C41 1.825(5) . ?
P2 C47 1.840(4) . ?
P2 C31 1.843(4) . ?
P3 C51 1.838(5) . ?
P3 C61 1.837(5) . ?
P3 C48 1.857(4) . ?
P4 C83 1.709(5) . ?
P4 C77 1.813(4) . ?
P4 C71 1.829(4) . ?
P5 C101 1.837(4) . ?
P5 C111 1.847(4) . ?
P5 C117 1.849(4) . ?
P6 C121 1.841(4) . ?
P6 C118 1.842(4) . ?
P6 C131 1.843(4) . ?
C1 C2 1.386(7) . ?
C1 C6 1.395(7) . ?
C2 C3 1.391(7) . ?
C2 H2 0.95 . ?
C3 C4 1.369(8) . ?
C3 H3 0.95 . ?
C4 C5 1.380(8) . ?
C4 H4 0.95 . ?
C5 C6 1.382(7) . ?
C5 H5 0.95 . ?
C6 H6 0.95 . ?
C7 C8 1.378(9) . ?
C7 C12 1.392(10) . ?
C8 C9 1.402(8) . ?
C8 H8 0.95 . ?
C9 C10 1.383(10) . ?
C9 H9 0.95 . ?
C10 C11 1.355(9) . ?
C10 H10 0.95 . ?
C11 C12 1.379(8) . ?
C11 H11 0.95 . ?
C12 H12 0.95 . ?
C13 C14 1.237(6) . ?
C21 C25 1.404(7) . ?
C21 C22 1.442(7) . ?
C21 C26 1.503(7) . ?
C22 C23 1.439(7) . ?
C22 C27 1.486(7) . ?
C23 C24 1.422(7) . ?
C23 C28 1.504(7) . ?
C24 C25 1.430(7) . ?
C24 C29 1.500(7) . ?
C25 C30 1.494(7) . ?
C26 H26A 0.98 . ?
C26 H26B 0.98 . ?
C26 H26C 0.98 . ?
C27 H27A 0.98 . ?
C27 H27B 0.98 . ?
C27 H27C 0.98 . ?
C28 H28A 0.98 . ?
C28 H28B 0.98 . ?
C28 H28C 0.98 . ?
C29 H29A 0.98 . ?
C29 H29B 0.98 . ?
C29 H29C 0.98 . ?
C30 H30A 0.98 . ?
C30 H30B 0.98 . ?
C30 H30C 0.98 . ?
C31 C36 1.392(6) . ?
C31 C32 1.394(6) . ?
C32 C33 1.395(6) . ?
C32 H32 0.95 . ?
C33 C34 1.377(7) . ?
C33 H33 0.95 . ?
C34 C35 1.375(8) . ?
C34 H34 0.95 . ?
C35 C36 1.392(7) . ?
C35 H35 0.95 . ?
C36 H36 0.95 . ?
C41 C46 1.387(6) . ?
C41 C42 1.397(6) . ?
C42 C43 1.395(7) . ?
C42 H42 0.95 . ?
C43 C44 1.371(7) . ?
C43 H43 0.95 . ?
C44 C45 1.386(7) . ?
C44 H44 0.95 . ?
C45 C46 1.381(7) . ?
C45 H45 0.95 . ?
C46 H46 0.95 . ?
C47 C48 1.521(6) . ?
C47 H47A 0.99 . ?
C47 H47B 0.99 . ?
C48 H48A 0.99 . ?
C48 H48B 0.99 . ?
C51 C56 1.386(7) . ?
C51 C52 1.392(7) . ?
C52 C53 1.375(8) . ?
C52 H52 0.95 . ?
C53 C54 1.393(9) . ?
C53 H53 0.95 . ?
C54 C55 1.376(9) . ?
C54 H54 0.95 . ?
C55 C56 1.374(8) . ?
C55 H55 0.95 . ?
C56 H56 0.95 . ?
C61 C66 1.381(7) . ?
C61 C62 1.390(7) . ?
C62 C63 1.385(7) . ?
C62 H62 0.95 . ?
C63 C64 1.366(8) . ?
C63 H63 0.95 . ?
C64 C65 1.378(8) . ?
C64 H64 0.95 . ?
C65 C66 1.391(7) . ?
C65 H65 0.95 . ?
C66 H66 0.95 . ?
C71 C72 1.383(6) . ?
C71 C76 1.386(7) . ?
C72 C73 1.401(7) . ?
C72 H72 0.95 . ?
C73 C74 1.368(8) . ?
C73 H73 0.95 . ?
C74 C75 1.400(8) . ?
C74 H74 0.95 . ?
C75 C76 1.386(7) . ?
C75 H75 0.95 . ?
C76 H76 0.95 . ?
C77 C78 1.389(6) . ?
C77 C82 1.390(6) . ?
C78 C79 1.378(7) . ?
C78 H78 0.95 . ?
C79 C80 1.378(8) . ?
C79 H79 0.95 . ?
C80 C81 1.375(8) . ?
C80 H80 0.95 . ?
C81 C82 1.374(7) . ?
C81 H81 0.95 . ?
C82 H82 0.95 . ?
C83 C84 1.228(6) . ?
C91 C95 1.420(7) . ?
C91 C92 1.430(6) . ?
C91 C96 1.498(7) . ?
C92 C93 1.424(6) . ?
C92 C97 1.491(7) . ?
C93 C94 1.432(6) . ?
C93 C98 1.507(6) . ?
C94 C95 1.420(6) . ?
C94 C99 1.499(7) . ?
C95 C100 1.507(6) . ?
C96 H96A 0.98 . ?
C96 H96B 0.98 . ?
C96 H96C 0.98 . ?
C97 H97A 0.98 . ?
C97 H97B 0.98 . ?
C97 H97C 0.98 . ?
C98 H98A 0.98 . ?
C98 H98B 0.98 . ?
C98 H98C 0.98 . ?
C99 H99A 0.98 . ?
C99 H99B 0.98 . ?
C99 H99C 0.98 . ?
C100 H10A 0.98 . ?
C100 H10B 0.98 . ?
C100 H10C 0.98 . ?
C101 C102 1.384(6) . ?
C101 C106 1.393(6) . ?
C102 C103 1.394(6) . ?
C102 H102 0.95 . ?
C103 C104 1.381(7) . ?
C103 H103 0.95 . ?
C104 C105 1.369(8) . ?
C104 H104 0.95 . ?
C105 C106 1.390(7) . ?
C105 H105 0.95 . ?
C106 H106 0.95 . ?
C111 C116 1.386(7) . ?
C111 C112 1.403(6) . ?
C112 C113 1.383(7) . ?
C112 H112 0.95 . ?
C113 C114 1.369(8) . ?
C113 H113 0.95 . ?
C114 C115 1.386(8) . ?
C114 H114 0.95 . ?
C115 C116 1.383(7) . ?
C115 H115 0.95 . ?
C116 H116 0.95 . ?
C117 C118 1.518(6) . ?
C117 H11A 0.99 . ?
C117 H11B 0.99 . ?
C118 H11C 0.99 . ?
C118 H11D 0.99 . ?
C121 C122 1.383(6) . ?
C121 C126 1.392(6) . ?
C122 C123 1.392(6) . ?
C122 H122 0.95 . ?
C123 C124 1.382(8) . ?
C123 H123 0.95 . ?
C124 C125 1.356(8) . ?
C124 H124 0.95 . ?
C125 C126 1.393(7) . ?
C125 H125 0.95 . ?
C126 H126 0.95 . ?
C131 C132 1.382(6) . ?
C131 C136 1.396(6) . ?
C132 C133 1.394(7) . ?
C132 H132 0.95 . ?
C133 C134 1.393(7) . ?
C133 H133 0.95 . ?
C134 C135 1.369(8) . ?
C134 H134 0.95 . ?
C135 C136 1.389(7) . ?
C135 H135 0.95 . ?
C136 H136 0.95 . ?
C201 Cl11 1.746(7) . ?
C201 Cl12 1.750(8) . ?
C201 H20A 0.99 . ?
C201 H20B 0.99 . ?
C211 Cl22 1.637(8) . ?
C211 Cl21 1.729(7) . ?
C211 H21A 0.99 . ?
C211 H21B 0.99 . ?


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
P1 Pd1 Cl1 86.90(4) . . ?
P1 Pd1 Cl2 94.05(4) . . ?
Cl1 Pd1 Cl2 173.11(5) . . ?
P1 Pd1 Cl3 176.21(4) . . ?
Cl1 Pd1 Cl3 94.53(4) . . ?
Cl2 Pd1 Cl3 84.94(4) . . ?
P4 Pd2 Cl4 92.11(4) . . ?
P4 Pd2 Cl3 91.42(4) . . ?
Cl4 Pd2 Cl3 176.30(4) . . ?
P4 Pd2 Cl2 171.62(4) . . ?
Cl4 Pd2 Cl2 91.38(4) . . ?
Cl3 Pd2 Cl2 84.98(4) . . ?
C14 Fe1 C22 94.80(18) . . ?
C14 Fe1 C21 88.16(18) . . ?
C22 Fe1 C21 39.96(18) . . ?
C14 Fe1 C25 117.36(18) . . ?
C22 Fe1 C25 66.30(18) . . ?
C21 Fe1 C25 38.65(18) . . ?
C14 Fe1 C23 132.24(19) . . ?
C22 Fe1 C23 39.70(18) . . ?
C21 Fe1 C23 65.76(18) . . ?
C25 Fe1 C23 65.38(18) . . ?
C14 Fe1 C24 153.53(18) . . ?
C22 Fe1 C24 66.36(18) . . ?
C21 Fe1 C24 65.42(18) . . ?
C25 Fe1 C24 39.12(18) . . ?
C23 Fe1 C24 38.87(19) . . ?
C14 Fe1 P3 86.54(13) . . ?
C22 Fe1 P3 164.24(14) . . ?
C21 Fe1 P3 124.58(13) . . ?
C25 Fe1 P3 99.13(13) . . ?
C23 Fe1 P3 141.20(14) . . ?
C24 Fe1 P3 106.63(14) . . ?
C14 Fe1 P2 84.01(13) . . ?
C22 Fe1 P2 110.32(14) . . ?
C21 Fe1 P2 148.48(13) . . ?
C25 Fe1 P2 158.25(14) . . ?
C23 Fe1 P2 97.83(13) . . ?
C24 Fe1 P2 119.18(14) . . ?
P3 Fe1 P2 85.44(5) . . ?
C84 Fe2 C91 96.24(18) . . ?
C84 Fe2 C92 89.05(17) . . ?
C91 Fe2 C92 39.60(17) . . ?
C84 Fe2 C95 132.87(18) . . ?
C91 Fe2 C95 39.15(18) . . ?
C92 Fe2 C95 65.64(17) . . ?
C84 Fe2 C93 118.67(17) . . ?
C91 Fe2 C93 65.76(17) . . ?
C92 Fe2 C93 39.13(17) . . ?
C95 Fe2 C93 65.00(16) . . ?
C84 Fe2 C94 154.99(18) . . ?
C91 Fe2 C94 65.97(18) . . ?
C92 Fe2 C94 65.99(18) . . ?
C95 Fe2 C94 38.84(17) . . ?
C93 Fe2 C94 39.08(17) . . ?
C84 Fe2 P6 81.07(12) . . ?
C91 Fe2 P6 110.76(13) . . ?
C92 Fe2 P6 147.69(13) . . ?
C95 Fe2 P6 99.30(13) . . ?
C93 Fe2 P6 159.88(13) . . ?
C94 Fe2 P6 120.82(13) . . ?
C84 Fe2 P5 90.47(12) . . ?
C91 Fe2 P5 162.33(13) . . ?
C92 Fe2 P5 124.62(12) . . ?
C95 Fe2 P5 136.65(14) . . ?
C93 Fe2 P5 96.69(12) . . ?
C94 Fe2 P5 102.10(13) . . ?
P6 Fe2 P5 86.39(4) . . ?
C13 P1 C7 106.0(3) . . ?
C13 P1 C1 109.3(2) . . ?
C7 P1 C1 102.4(3) . . ?
C13 P1 Pd1 114.00(15) . . ?
C7 P1 Pd1 111.9(2) . . ?
C1 P1 Pd1 112.48(16) . . ?
C41 P2 C47 103.6(2) . . ?
C41 P2 C31 101.11(19) . . ?
C47 P2 C31 99.63(19) . . ?
C41 P2 Fe1 120.36(14) . . ?
C47 P2 Fe1 106.15(14) . . ?
C31 P2 Fe1 122.71(15) . . ?
C51 P3 C61 99.5(2) . . ?
C51 P3 C48 102.8(2) . . ?
C61 P3 C48 102.3(2) . . ?
C51 P3 Fe1 119.49(16) . . ?
C61 P3 Fe1 120.14(16) . . ?
C48 P3 Fe1 110.01(15) . . ?
C83 P4 C77 108.7(2) . . ?
C83 P4 C71 106.3(2) . . ?
C77 P4 C71 104.2(2) . . ?
C83 P4 Pd2 116.53(15) . . ?
C77 P4 Pd2 103.96(15) . . ?
C71 P4 Pd2 116.29(14) . . ?
C101 P5 C111 100.17(19) . . ?
C101 P5 C117 103.6(2) . . ?
C111 P5 C117 101.7(2) . . ?
C101 P5 Fe2 117.85(15) . . ?
C111 P5 Fe2 121.14(14) . . ?
C117 P5 Fe2 109.88(14) . . ?
C121 P6 C118 102.2(2) . . ?
C121 P6 C131 101.0(2) . . ?
C118 P6 C131 101.2(2) . . ?
C121 P6 Fe2 119.95(15) . . ?
C118 P6 Fe2 106.28(13) . . ?
C131 P6 Fe2 122.97(15) . . ?
Pd1 Cl2 Pd2 89.46(4) . . ?
Pd2 Cl3 Pd1 88.70(3) . . ?
C2 C1 C6 118.9(4) . . ?
C2 C1 P1 122.9(4) . . ?
C6 C1 P1 118.2(4) . . ?
C1 C2 C3 120.1(5) . . ?
C1 C2 H2 120 . . ?
C3 C2 H2 120 . . ?
C4 C3 C2 120.2(5) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C3 C4 C5 120.6(5) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C4 C5 C6 119.5(5) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 H5 120.2 . . ?
C5 C6 C1 120.7(5) . . ?
C5 C6 H6 119.6 . . ?
C1 C6 H6 119.6 . . ?
C8 C7 C12 119.4(6) . . ?
C8 C7 P1 120.9(5) . . ?
C12 C7 P1 119.7(5) . . ?
C7 C8 C9 119.3(7) . . ?
C7 C8 H8 120.4 . . ?
C9 C8 H8 120.4 . . ?
C10 C9 C8 119.6(7) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
C11 C10 C9 121.4(6) . . ?
C11 C10 H10 119.3 . . ?
C9 C10 H10 119.3 . . ?
C10 C11 C12 119.1(7) . . ?
C10 C11 H11 120.4 . . ?
C12 C11 H11 120.4 . . ?
C11 C12 C7 121.1(7) . . ?
C11 C12 H12 119.4 . . ?
C7 C12 H12 119.4 . . ?
C14 C13 P1 172.4(4) . . ?
C13 C14 Fe1 177.5(4) . . ?
C25 C21 C22 108.8(4) . . ?
C25 C21 C26 126.3(4) . . ?
C22 C21 C26 124.7(4) . . ?
C25 C21 Fe1 71.2(3) . . ?
C22 C21 Fe1 69.6(2) . . ?
C26 C21 Fe1 129.1(3) . . ?
C23 C22 C21 106.4(4) . . ?
C23 C22 C27 127.4(5) . . ?
C21 C22 C27 126.1(4) . . ?
C23 C22 Fe1 71.2(3) . . ?
C21 C22 Fe1 70.4(2) . . ?
C27 C22 Fe1 126.7(3) . . ?
C24 C23 C22 108.6(4) . . ?
C24 C23 C28 125.9(5) . . ?
C22 C23 C28 124.8(5) . . ?
C24 C23 Fe1 70.9(3) . . ?
C22 C23 Fe1 69.1(2) . . ?
C28 C23 Fe1 132.8(3) . . ?
C23 C24 C25 107.6(4) . . ?
C23 C24 C29 127.1(5) . . ?
C25 C24 C29 124.5(5) . . ?
C23 C24 Fe1 70.2(3) . . ?
C25 C24 Fe1 69.9(3) . . ?
C29 C24 Fe1 133.5(3) . . ?
C21 C25 C24 108.5(4) . . ?
C21 C25 C30 126.1(5) . . ?
C24 C25 C30 124.4(5) . . ?
C21 C25 Fe1 70.1(3) . . ?
C24 C25 Fe1 70.9(3) . . ?
C30 C25 Fe1 134.0(3) . . ?
C21 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C21 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C36 C31 C32 118.4(4) . . ?
C36 C31 P2 121.1(3) . . ?
C32 C31 P2 120.3(3) . . ?
C31 C32 C33 120.7(4) . . ?
C31 C32 H32 119.6 . . ?
C33 C32 H32 119.6 . . ?
C34 C33 C32 120.1(5) . . ?
C34 C33 H33 120 . . ?
C32 C33 H33 120 . . ?
C35 C34 C33 119.6(5) . . ?
C35 C34 H34 120.2 . . ?
C33 C34 H34 120.2 . . ?
C34 C35 C36 120.8(5) . . ?
C34 C35 H35 119.6 . . ?
C36 C35 H35 119.6 . . ?
C31 C36 C35 120.3(5) . . ?
C31 C36 H36 119.9 . . ?
C35 C36 H36 119.9 . . ?
C46 C41 C42 118.2(4) . . ?
C46 C41 P2 122.1(3) . . ?
C42 C41 P2 119.6(3) . . ?
C43 C42 C41 120.6(5) . . ?
C43 C42 H42 119.7 . . ?
C41 C42 H42 119.7 . . ?
C44 C43 C42 120.1(5) . . ?
C44 C43 H43 119.9 . . ?
C42 C43 H43 119.9 . . ?
C43 C44 C45 119.7(5) . . ?
C43 C44 H44 120.2 . . ?
C45 C44 H44 120.2 . . ?
C46 C45 C44 120.4(5) . . ?
C46 C45 H45 119.8 . . ?
C44 C45 H45 119.8 . . ?
C45 C46 C41 121.0(4) . . ?
C45 C46 H46 119.5 . . ?
C41 C46 H46 119.5 . . ?
C48 C47 P2 107.5(3) . . ?
C48 C47 H47A 110.2 . . ?
P2 C47 H47A 110.2 . . ?
C48 C47 H47B 110.2 . . ?
P2 C47 H47B 110.2 . . ?
H47A C47 H47B 108.5 . . ?
C47 C48 P3 110.3(3) . . ?
C47 C48 H48A 109.6 . . ?
P3 C48 H48A 109.6 . . ?
C47 C48 H48B 109.6 . . ?
P3 C48 H48B 109.6 . . ?
H48A C48 H48B 108.1 . . ?
C56 C51 C52 117.6(5) . . ?
C56 C51 P3 120.0(4) . . ?
C52 C51 P3 122.1(4) . . ?
C53 C52 C51 120.8(5) . . ?
C53 C52 H52 119.6 . . ?
C51 C52 H52 119.6 . . ?
C52 C53 C54 121.1(6) . . ?
C52 C53 H53 119.4 . . ?
C54 C53 H53 119.4 . . ?
C55 C54 C53 118.0(6) . . ?
C55 C54 H54 121 . . ?
C53 C54 H54 121 . . ?
C56 C55 C54 121.0(6) . . ?
C56 C55 H55 119.5 . . ?
C54 C55 H55 119.5 . . ?
C55 C56 C51 121.5(5) . . ?
C55 C56 H56 119.2 . . ?
C51 C56 H56 119.2 . . ?
C66 C61 C62 118.1(4) . . ?
C66 C61 P3 122.3(4) . . ?
C62 C61 P3 119.7(4) . . ?
C63 C62 C61 120.8(5) . . ?
C63 C62 H62 119.6 . . ?
C61 C62 H62 119.6 . . ?
C64 C63 C62 120.3(5) . . ?
C64 C63 H63 119.8 . . ?
C62 C63 H63 119.8 . . ?
C63 C64 C65 120.0(5) . . ?
C63 C64 H64 120 . . ?
C65 C64 H64 120 . . ?
C64 C65 C66 119.7(5) . . ?
C64 C65 H65 120.2 . . ?
C66 C65 H65 120.2 . . ?
C61 C66 C65 121.1(5) . . ?
C61 C66 H66 119.4 . . ?
C65 C66 H66 119.4 . . ?
C72 C71 C76 119.6(4) . . ?
C72 C71 P4 119.8(3) . . ?
C76 C71 P4 120.6(3) . . ?
C71 C72 C73 119.8(5) . . ?
C71 C72 H72 120.1 . . ?
C73 C72 H72 120.1 . . ?
C74 C73 C72 120.4(5) . . ?
C74 C73 H73 119.8 . . ?
C72 C73 H73 119.8 . . ?
C73 C74 C75 120.1(5) . . ?
C73 C74 H74 119.9 . . ?
C75 C74 H74 119.9 . . ?
C76 C75 C74 119.2(5) . . ?
C76 C75 H75 120.4 . . ?
C74 C75 H75 120.4 . . ?
C75 C76 C71 120.8(5) . . ?
C75 C76 H76 119.6 . . ?
C71 C76 H76 119.6 . . ?
C78 C77 C82 119.1(4) . . ?
C78 C77 P4 120.9(3) . . ?
C82 C77 P4 120.0(4) . . ?
C79 C78 C77 120.4(5) . . ?
C79 C78 H78 119.8 . . ?
C77 C78 H78 119.8 . . ?
C80 C79 C78 119.8(5) . . ?
C80 C79 H79 120.1 . . ?
C78 C79 H79 120.1 . . ?
C81 C80 C79 120.5(5) . . ?
C81 C80 H80 119.8 . . ?
C79 C80 H80 119.8 . . ?
C82 C81 C80 120.0(5) . . ?
C82 C81 H81 120 . . ?
C80 C81 H81 120 . . ?
C81 C82 C77 120.4(5) . . ?
C81 C82 H82 119.8 . . ?
C77 C82 H82 119.8 . . ?
C84 C83 P4 175.1(4) . . ?
C83 C84 Fe2 176.4(4) . . ?
C95 C91 C92 107.5(4) . . ?
C95 C91 C96 127.9(4) . . ?
C92 C91 C96 124.2(5) . . ?
C95 C91 Fe2 71.1(3) . . ?
C92 C91 Fe2 70.3(2) . . ?
C96 C91 Fe2 129.9(3) . . ?
C93 C92 C91 107.8(4) . . ?
C93 C92 C97 126.3(4) . . ?
C91 C92 C97 125.4(4) . . ?
C93 C92 Fe2 71.5(2) . . ?
C91 C92 Fe2 70.1(3) . . ?
C97 C92 Fe2 129.9(3) . . ?
C92 C93 C94 108.4(4) . . ?
C92 C93 C98 124.7(4) . . ?
C94 C93 C98 126.1(4) . . ?
C92 C93 Fe2 69.4(2) . . ?
C94 C93 Fe2 70.6(2) . . ?
C98 C93 Fe2 133.8(3) . . ?
C95 C94 C93 107.0(4) . . ?
C95 C94 C99 126.3(4) . . ?
C93 C94 C99 125.4(4) . . ?
C95 C94 Fe2 70.0(2) . . ?
C93 C94 Fe2 70.4(2) . . ?
C99 C94 Fe2 134.6(3) . . ?
C91 C95 C94 109.2(4) . . ?
C91 C95 C100 125.8(5) . . ?
C94 C95 C100 124.3(5) . . ?
C91 C95 Fe2 69.7(2) . . ?
C94 C95 Fe2 71.1(2) . . ?
C100 C95 Fe2 132.8(3) . . ?
C91 C96 H96A 109.5 . . ?
C91 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C91 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C92 C97 H97A 109.5 . . ?
C92 C97 H97B 109.5 . . ?
H97A C97 H97B 109.5 . . ?
C92 C97 H97C 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
C93 C98 H98A 109.5 . . ?
C93 C98 H98B 109.5 . . ?
H98A C98 H98B 109.5 . . ?
C93 C98 H98C 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C94 C99 H99A 109.5 . . ?
C94 C99 H99B 109.5 . . ?
H99A C99 H99B 109.5 . . ?
C94 C99 H99C 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C95 C100 H10A 109.5 . . ?
C95 C100 H10B 109.5 . . ?
H10A C100 H10B 109.5 . . ?
C95 C100 H10C 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
C102 C101 C106 118.5(4) . . ?
C102 C101 P5 120.7(3) . . ?
C106 C101 P5 120.8(3) . . ?
C101 C102 C103 120.8(4) . . ?
C101 C102 H102 119.6 . . ?
C103 C102 H102 119.6 . . ?
C104 C103 C102 119.5(5) . . ?
C104 C103 H103 120.2 . . ?
C102 C103 H103 120.2 . . ?
C105 C104 C103 120.5(5) . . ?
C105 C104 H104 119.8 . . ?
C103 C104 H104 119.8 . . ?
C104 C105 C106 119.9(5) . . ?
C104 C105 H105 120 . . ?
C106 C105 H105 120 . . ?
C105 C106 C101 120.7(5) . . ?
C105 C106 H106 119.6 . . ?
C101 C106 H106 119.6 . . ?
C116 C111 C112 117.9(4) . . ?
C116 C111 P5 121.4(3) . . ?
C112 C111 P5 120.7(3) . . ?
C113 C112 C111 120.1(5) . . ?
C113 C112 H112 119.9 . . ?
C111 C112 H112 119.9 . . ?
C114 C113 C112 121.4(5) . . ?
C114 C113 H113 119.3 . . ?
C112 C113 H113 119.3 . . ?
C113 C114 C115 119.2(5) . . ?
C113 C114 H114 120.4 . . ?
C115 C114 H114 120.4 . . ?
C116 C115 C114 120.0(5) . . ?
C116 C115 H115 120 . . ?
C114 C115 H115 120 . . ?
C115 C116 C111 121.4(5) . . ?
C115 C116 H116 119.3 . . ?
C111 C116 H116 119.3 . . ?
C118 C117 P5 110.1(3) . . ?
C118 C117 H11A 109.6 . . ?
P5 C117 H11A 109.6 . . ?
C118 C117 H11B 109.6 . . ?
P5 C117 H11B 109.6 . . ?
H11A C117 H11B 108.2 . . ?
C117 C118 P6 109.1(3) . . ?
C117 C118 H11C 109.9 . . ?
P6 C118 H11C 109.9 . . ?
C117 C118 H11D 109.9 . . ?
P6 C118 H11D 109.9 . . ?
H11C C118 H11D 108.3 . . ?
C122 C121 C126 117.8(4) . . ?
C122 C121 P6 123.2(3) . . ?
C126 C121 P6 118.9(4) . . ?
C121 C122 C123 121.1(5) . . ?
C121 C122 H122 119.4 . . ?
C123 C122 H122 119.4 . . ?
C124 C123 C122 119.9(5) . . ?
C124 C123 H123 120.1 . . ?
C122 C123 H123 120.1 . . ?
C125 C124 C123 119.8(5) . . ?
C125 C124 H124 120.1 . . ?
C123 C124 H124 120.1 . . ?
C124 C125 C126 120.7(5) . . ?
C124 C125 H125 119.7 . . ?
C126 C125 H125 119.7 . . ?
C121 C126 C125 120.6(5) . . ?
C121 C126 H126 119.7 . . ?
C125 C126 H126 119.7 . . ?
C132 C131 C136 119.1(4) . . ?
C132 C131 P6 119.3(3) . . ?
C136 C131 P6 121.2(3) . . ?
C131 C132 C133 121.0(5) . . ?
C131 C132 H132 119.5 . . ?
C133 C132 H132 119.5 . . ?
C134 C133 C132 119.3(5) . . ?
C134 C133 H133 120.3 . . ?
C132 C133 H133 120.3 . . ?
C135 C134 C133 119.7(5) . . ?
C135 C134 H134 120.2 . . ?
C133 C134 H134 120.2 . . ?
C134 C135 C136 121.2(5) . . ?
C134 C135 H135 119.4 . . ?
C136 C135 H135 119.4 . . ?
C135 C136 C131 119.6(5) . . ?
C135 C136 H136 120.2 . . ?
C131 C136 H136 120.2 . . ?
Cl11 C201 Cl12 113.7(4) . . ?
Cl11 C201 H20A 108.8 . . ?
Cl12 C201 H20A 108.8 . . ?
Cl11 C201 H20B 108.8 . . ?
Cl12 C201 H20B 108.8 . . ?
H20A C201 H20B 107.7 . . ?
Cl22 C211 Cl21 112.6(4) . . ?
Cl22 C211 H21A 109.1 . . ?
Cl21 C211 H21A 109.1 . . ?
Cl22 C211 H21B 109.1 . . ?
Cl21 C211 H21B 109.1 . . ?
H21A C211 H21B 107.8 . . ?


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
Cl1 Pd1 P1 C13 67.14(17) . . . . ?
Cl2 Pd1 P1 C13 -106.02(17) . . . . ?
Cl3 Pd1 P1 C13 18E1(4) . . . . ?
Cl1 Pd1 P1 C7 -172.6(3) . . . . ?
Cl2 Pd1 P1 C7 14.3(3) . . . . ?
Cl3 Pd1 P1 C7 -60.1(7) . . . . ?
Cl1 Pd1 P1 C1 -57.95(16) . . . . ?
Cl2 Pd1 P1 C1 128.89(16) . . . . ?
Cl3 Pd1 P1 C1 54.5(7) . . . . ?
C14 Fe1 P2 C41 61.5(2) . . . . ?
C22 Fe1 P2 C41 -31.4(2) . . . . ?
C21 Fe1 P2 C41 -15.0(3) . . . . ?
C25 Fe1 P2 C41 -108.2(4) . . . . ?
C23 Fe1 P2 C41 -70.4(2) . . . . ?
C24 Fe1 P2 C41 -105.0(2) . . . . ?
P3 Fe1 P2 C41 148.52(17) . . . . ?
C14 Fe1 P2 C47 -55.4(2) . . . . ?
C22 Fe1 P2 C47 -148.3(2) . . . . ?
C21 Fe1 P2 C47 -132.0(3) . . . . ?
C25 Fe1 P2 C47 134.9(4) . . . . ?
C23 Fe1 P2 C47 172.7(2) . . . . ?
C24 Fe1 P2 C47 138.1(2) . . . . ?
P3 Fe1 P2 C47 31.57(16) . . . . ?
C14 Fe1 P2 C31 -168.6(2) . . . . ?
C22 Fe1 P2 C31 98.5(2) . . . . ?
C21 Fe1 P2 C31 114.9(3) . . . . ?
C25 Fe1 P2 C31 21.7(4) . . . . ?
C23 Fe1 P2 C31 59.5(2) . . . . ?
C24 Fe1 P2 C31 25.0(2) . . . . ?
P3 Fe1 P2 C31 -81.56(17) . . . . ?
C14 Fe1 P3 C51 -169.0(2) . . . . ?
C22 Fe1 P3 C51 -73.5(5) . . . . ?
C21 Fe1 P3 C51 -83.6(2) . . . . ?
C25 Fe1 P3 C51 -51.8(2) . . . . ?
C23 Fe1 P3 C51 10.0(3) . . . . ?
C24 Fe1 P3 C51 -12.3(2) . . . . ?
P2 Fe1 P3 C51 106.78(18) . . . . ?
C14 Fe1 P3 C61 -45.7(2) . . . . ?
C22 Fe1 P3 C61 49.7(5) . . . . ?
C21 Fe1 P3 C61 39.7(2) . . . . ?
C25 Fe1 P3 C61 71.5(2) . . . . ?
C23 Fe1 P3 C61 133.2(3) . . . . ?
C24 Fe1 P3 C61 110.9(2) . . . . ?
P2 Fe1 P3 C61 -129.97(18) . . . . ?
C14 Fe1 P3 C48 72.6(2) . . . . ?
C22 Fe1 P3 C48 168.1(5) . . . . ?
C21 Fe1 P3 C48 158.0(2) . . . . ?
C25 Fe1 P3 C48 -170.2(2) . . . . ?
C23 Fe1 P3 C48 -108.5(3) . . . . ?
C24 Fe1 P3 C48 -130.8(2) . . . . ?
P2 Fe1 P3 C48 -11.64(18) . . . . ?
Cl4 Pd2 P4 C83 139.41(16) . . . . ?
Cl3 Pd2 P4 C83 -41.71(16) . . . . ?
Cl2 Pd2 P4 C83 -106.1(3) . . . . ?
Cl4 Pd2 P4 C77 -101.04(15) . . . . ?
Cl3 Pd2 P4 C77 77.84(15) . . . . ?
Cl2 Pd2 P4 C77 13.4(3) . . . . ?
Cl4 Pd2 P4 C71 12.78(17) . . . . ?
Cl3 Pd2 P4 C71 -168.34(17) . . . . ?
Cl2 Pd2 P4 C71 127.3(3) . . . . ?
C84 Fe2 P5 C101 45.04(19) . . . . ?
C91 Fe2 P5 C101 -67.5(5) . . . . ?
C92 Fe2 P5 C101 -44.1(2) . . . . ?
C95 Fe2 P5 C101 -134.2(2) . . . . ?
C93 Fe2 P5 C101 -73.9(2) . . . . ?
C94 Fe2 P5 C101 -113.2(2) . . . . ?
P6 Fe2 P5 C101 126.07(16) . . . . ?
C84 Fe2 P5 C111 168.6(2) . . . . ?
C91 Fe2 P5 C111 56.0(5) . . . . ?
C92 Fe2 P5 C111 79.4(2) . . . . ?
C95 Fe2 P5 C111 -10.7(3) . . . . ?
C93 Fe2 P5 C111 49.6(2) . . . . ?
C94 Fe2 P5 C111 10.4(2) . . . . ?
P6 Fe2 P5 C111 -110.39(17) . . . . ?
C84 Fe2 P5 C117 -73.3(2) . . . . ?
C91 Fe2 P5 C117 174.1(5) . . . . ?
C92 Fe2 P5 C117 -162.5(2) . . . . ?
C95 Fe2 P5 C117 107.5(2) . . . . ?
C93 Fe2 P5 C117 167.8(2) . . . . ?
C94 Fe2 P5 C117 128.5(2) . . . . ?
P6 Fe2 P5 C117 7.74(17) . . . . ?
C84 Fe2 P6 C121 -51.2(2) . . . . ?
C91 Fe2 P6 C121 42.1(2) . . . . ?
C92 Fe2 P6 C121 22.5(3) . . . . ?
C95 Fe2 P6 C121 81.0(2) . . . . ?
C93 Fe2 P6 C121 118.1(4) . . . . ?
C94 Fe2 P6 C121 115.8(2) . . . . ?
P5 Fe2 P6 C121 -142.28(17) . . . . ?
C84 Fe2 P6 C118 63.75(19) . . . . ?
C91 Fe2 P6 C118 157.1(2) . . . . ?
C92 Fe2 P6 C118 137.5(3) . . . . ?
C95 Fe2 P6 C118 -164.0(2) . . . . ?
C93 Fe2 P6 C118 -126.9(4) . . . . ?
C94 Fe2 P6 C118 -129.2(2) . . . . ?
P5 Fe2 P6 C118 -27.30(15) . . . . ?
C84 Fe2 P6 C131 179.3(2) . . . . ?
C91 Fe2 P6 C131 -87.4(2) . . . . ?
C92 Fe2 P6 C131 -106.9(3) . . . . ?
C95 Fe2 P6 C131 -48.5(2) . . . . ?
C93 Fe2 P6 C131 -11.4(4) . . . . ?
C94 Fe2 P6 C131 -13.7(2) . . . . ?
P5 Fe2 P6 C131 88.24(18) . . . . ?
P1 Pd1 Cl2 Pd2 158.56(4) . . . . ?
Cl1 Pd1 Cl2 Pd2 60.9(4) . . . . ?
Cl3 Pd1 Cl2 Pd2 -25.10(4) . . . . ?
P4 Pd2 Cl2 Pd1 91.3(3) . . . . ?
Cl4 Pd2 Cl2 Pd1 -154.16(5) . . . . ?
Cl3 Pd2 Cl2 Pd1 26.49(4) . . . . ?
P4 Pd2 Cl3 Pd1 162.66(4) . . . . ?
Cl4 Pd2 Cl3 Pd1 -34.9(7) . . . . ?
Cl2 Pd2 Cl3 Pd1 -24.93(4) . . . . ?
P1 Pd1 Cl3 Pd2 101.0(6) . . . . ?
Cl1 Pd1 Cl3 Pd2 -146.80(4) . . . . ?
Cl2 Pd1 Cl3 Pd2 26.30(4) . . . . ?
C13 P1 C1 C2 -137.4(4) . . . . ?
C7 P1 C1 C2 110.5(5) . . . . ?
Pd1 P1 C1 C2 -9.7(4) . . . . ?
C13 P1 C1 C6 45.8(4) . . . . ?
C7 P1 C1 C6 -66.3(5) . . . . ?
Pd1 P1 C1 C6 173.4(3) . . . . ?
C6 C1 C2 C3 0.5(7) . . . . ?
P1 C1 C2 C3 -176.3(4) . . . . ?
C1 C2 C3 C4 0.2(8) . . . . ?
C2 C3 C4 C5 -0.5(8) . . . . ?
C3 C4 C5 C6 0.1(8) . . . . ?
C4 C5 C6 C1 0.6(8) . . . . ?
C2 C1 C6 C5 -0.9(7) . . . . ?
P1 C1 C6 C5 176.0(4) . . . . ?
C13 P1 C7 C8 -150.7(6) . . . . ?
C1 P1 C7 C8 -36.2(7) . . . . ?
Pd1 P1 C7 C8 84.5(6) . . . . ?
C13 P1 C7 C12 27.9(7) . . . . ?
C1 P1 C7 C12 142.4(6) . . . . ?
Pd1 P1 C7 C12 -96.9(6) . . . . ?
C12 C7 C8 C9 -2.6(11) . . . . ?
P1 C7 C8 C9 176.0(6) . . . . ?
C7 C8 C9 C10 2.3(11) . . . . ?
C8 C9 C10 C11 0.1(12) . . . . ?
C9 C10 C11 C12 -2.3(12) . . . . ?
C10 C11 C12 C7 2.0(11) . . . . ?
C8 C7 C12 C11 0.4(12) . . . . ?
P1 C7 C12 C11 -178.2(6) . . . . ?
C7 P1 C13 C14 -148(3) . . . . ?
C1 P1 C13 C14 102(3) . . . . ?
Pd1 P1 C13 C14 -24(3) . . . . ?
P1 C13 C14 Fe1 -161(7) . . . . ?
C22 Fe1 C14 C13 -35(9) . . . . ?
C21 Fe1 C14 C13 4(9) . . . . ?
C25 Fe1 C14 C13 30(9) . . . . ?
C23 Fe1 C14 C13 -50(9) . . . . ?
C24 Fe1 C14 C13 7(10) . . . . ?
P3 Fe1 C14 C13 129(9) . . . . ?
P2 Fe1 C14 C13 -145(9) . . . . ?
C14 Fe1 C21 C25 140.9(3) . . . . ?
C22 Fe1 C21 C25 -119.4(4) . . . . ?
C23 Fe1 C21 C25 -80.3(3) . . . . ?
C24 Fe1 C21 C25 -37.4(3) . . . . ?
P3 Fe1 C21 C25 56.4(3) . . . . ?
P2 Fe1 C21 C25 -143.7(3) . . . . ?
C14 Fe1 C21 C22 -99.7(3) . . . . ?
C25 Fe1 C21 C22 119.4(4) . . . . ?
C23 Fe1 C21 C22 39.1(3) . . . . ?
C24 Fe1 C21 C22 81.9(3) . . . . ?
P3 Fe1 C21 C22 175.8(2) . . . . ?
P2 Fe1 C21 C22 -24.3(4) . . . . ?
C14 Fe1 C21 C26 19.0(4) . . . . ?
C22 Fe1 C21 C26 118.7(6) . . . . ?
C25 Fe1 C21 C26 -122.0(6) . . . . ?
C23 Fe1 C21 C26 157.7(5) . . . . ?
C24 Fe1 C21 C26 -159.4(5) . . . . ?
P3 Fe1 C21 C26 -65.6(5) . . . . ?
P2 Fe1 C21 C26 94.4(5) . . . . ?
C25 C21 C22 C23 -1.9(5) . . . . ?
C26 C21 C22 C23 173.2(4) . . . . ?
Fe1 C21 C22 C23 -62.6(3) . . . . ?
C25 C21 C22 C27 -177.6(4) . . . . ?
C26 C21 C22 C27 -2.4(7) . . . . ?
Fe1 C21 C22 C27 121.7(4) . . . . ?
C25 C21 C22 Fe1 60.7(3) . . . . ?
C26 C21 C22 Fe1 -124.2(4) . . . . ?
C14 Fe1 C22 C23 -162.7(3) . . . . ?
C21 Fe1 C22 C23 115.9(4) . . . . ?
C25 Fe1 C22 C23 79.4(3) . . . . ?
C24 Fe1 C22 C23 36.5(3) . . . . ?
P3 Fe1 C22 C23 103.0(5) . . . . ?
P2 Fe1 C22 C23 -77.4(3) . . . . ?
C14 Fe1 C22 C21 81.4(3) . . . . ?
C25 Fe1 C22 C21 -36.5(3) . . . . ?
C23 Fe1 C22 C21 -115.9(4) . . . . ?
C24 Fe1 C22 C21 -79.4(3) . . . . ?
P3 Fe1 C22 C21 -13.0(7) . . . . ?
P2 Fe1 C22 C21 166.7(2) . . . . ?
C14 Fe1 C22 C27 -39.6(5) . . . . ?
C21 Fe1 C22 C27 -121.0(5) . . . . ?
C25 Fe1 C22 C27 -157.4(5) . . . . ?
C23 Fe1 C22 C27 123.1(6) . . . . ?
C24 Fe1 C22 C27 159.7(5) . . . . ?
P3 Fe1 C22 C27 -133.9(5) . . . . ?
P2 Fe1 C22 C27 45.8(5) . . . . ?
C21 C22 C23 C24 2.0(5) . . . . ?
C27 C22 C23 C24 177.6(4) . . . . ?
Fe1 C22 C23 C24 -60.1(3) . . . . ?
C21 C22 C23 C28 -169.6(4) . . . . ?
C27 C22 C23 C28 6.1(7) . . . . ?
Fe1 C22 C23 C28 128.4(5) . . . . ?
C21 C22 C23 Fe1 62.1(3) . . . . ?
C27 C22 C23 Fe1 -122.3(5) . . . . ?
C14 Fe1 C23 C24 143.2(3) . . . . ?
C22 Fe1 C23 C24 119.6(4) . . . . ?
C21 Fe1 C23 C24 80.3(3) . . . . ?
C25 Fe1 C23 C24 37.7(3) . . . . ?
P3 Fe1 C23 C24 -35.4(4) . . . . ?
P2 Fe1 C23 C24 -127.8(3) . . . . ?
C14 Fe1 C23 C22 23.5(4) . . . . ?
C21 Fe1 C23 C22 -39.3(3) . . . . ?
C25 Fe1 C23 C22 -81.9(3) . . . . ?
C24 Fe1 C23 C22 -119.6(4) . . . . ?
P3 Fe1 C23 C22 -155.0(2) . . . . ?
P2 Fe1 C23 C22 112.5(3) . . . . ?
C14 Fe1 C23 C28 -95.1(5) . . . . ?
C22 Fe1 C23 C28 -118.7(6) . . . . ?
C21 Fe1 C23 C28 -158.0(6) . . . . ?
C25 Fe1 C23 C28 159.4(6) . . . . ?
C24 Fe1 C23 C28 121.7(6) . . . . ?
P3 Fe1 C23 C28 86.3(5) . . . . ?
P2 Fe1 C23 C28 -6.1(5) . . . . ?
C22 C23 C24 C25 -1.3(5) . . . . ?
C28 C23 C24 C25 170.1(4) . . . . ?
Fe1 C23 C24 C25 -60.2(3) . . . . ?
C22 C23 C24 C29 -170.9(4) . . . . ?
C28 C23 C24 C29 0.5(8) . . . . ?
Fe1 C23 C24 C29 130.1(5) . . . . ?
C22 C23 C24 Fe1 59.0(3) . . . . ?
C28 C23 C24 Fe1 -129.6(5) . . . . ?
C14 Fe1 C24 C23 -84.9(5) . . . . ?
C22 Fe1 C24 C23 -37.3(3) . . . . ?
C21 Fe1 C24 C23 -81.3(3) . . . . ?
C25 Fe1 C24 C23 -118.3(4) . . . . ?
P3 Fe1 C24 C23 157.7(2) . . . . ?
P2 Fe1 C24 C23 63.6(3) . . . . ?
C14 Fe1 C24 C25 33.3(5) . . . . ?
C22 Fe1 C24 C25 81.0(3) . . . . ?
C21 Fe1 C24 C25 37.0(3) . . . . ?
C23 Fe1 C24 C25 118.3(4) . . . . ?
P3 Fe1 C24 C25 -84.0(3) . . . . ?
P2 Fe1 C24 C25 -178.1(2) . . . . ?
C14 Fe1 C24 C29 152.3(5) . . . . ?
C22 Fe1 C24 C29 -160.1(6) . . . . ?
C21 Fe1 C24 C29 155.9(6) . . . . ?
C25 Fe1 C24 C29 118.9(6) . . . . ?
C23 Fe1 C24 C29 -122.8(6) . . . . ?
P3 Fe1 C24 C29 35.0(5) . . . . ?
P2 Fe1 C24 C29 -59.2(5) . . . . ?
C22 C21 C25 C24 1.2(5) . . . . ?
C26 C21 C25 C24 -173.9(4) . . . . ?
Fe1 C21 C25 C24 60.8(3) . . . . ?
C22 C21 C25 C30 169.8(4) . . . . ?
C26 C21 C25 C30 -5.3(7) . . . . ?
Fe1 C21 C25 C30 -130.5(5) . . . . ?
C22 C21 C25 Fe1 -59.7(3) . . . . ?
C26 C21 C25 Fe1 125.3(5) . . . . ?
C23 C24 C25 C21 0.1(5) . . . . ?
C29 C24 C25 C21 170.0(4) . . . . ?
Fe1 C24 C25 C21 -60.3(3) . . . . ?
C23 C24 C25 C30 -168.8(4) . . . . ?
C29 C24 C25 C30 1.2(7) . . . . ?
Fe1 C24 C25 C30 130.8(4) . . . . ?
C23 C24 C25 Fe1 60.4(3) . . . . ?
C29 C24 C25 Fe1 -129.6(5) . . . . ?
C14 Fe1 C25 C21 -45.2(3) . . . . ?
C22 Fe1 C25 C21 37.7(3) . . . . ?
C23 Fe1 C25 C21 81.4(3) . . . . ?
C24 Fe1 C25 C21 118.8(4) . . . . ?
P3 Fe1 C25 C21 -136.0(3) . . . . ?
P2 Fe1 C25 C21 123.3(4) . . . . ?
C14 Fe1 C25 C24 -164.0(3) . . . . ?
C22 Fe1 C25 C24 -81.1(3) . . . . ?
C21 Fe1 C25 C24 -118.8(4) . . . . ?
C23 Fe1 C25 C24 -37.4(3) . . . . ?
P3 Fe1 C25 C24 105.2(3) . . . . ?
P2 Fe1 C25 C24 4.5(5) . . . . ?
C14 Fe1 C25 C30 76.3(5) . . . . ?
C22 Fe1 C25 C30 159.1(6) . . . . ?
C21 Fe1 C25 C30 121.4(6) . . . . ?
C23 Fe1 C25 C30 -157.2(6) . . . . ?
C24 Fe1 C25 C30 -119.8(6) . . . . ?
P3 Fe1 C25 C30 -14.6(5) . . . . ?
P2 Fe1 C25 C30 -115.3(5) . . . . ?
C41 P2 C31 C36 135.7(4) . . . . ?
C47 P2 C31 C36 -118.2(4) . . . . ?
Fe1 P2 C31 C36 -1.9(4) . . . . ?
C41 P2 C31 C32 -49.0(4) . . . . ?
C47 P2 C31 C32 57.0(4) . . . . ?
Fe1 P2 C31 C32 173.4(3) . . . . ?
C36 C31 C32 C33 1.7(6) . . . . ?
P2 C31 C32 C33 -173.7(3) . . . . ?
C31 C32 C33 C34 -3.0(7) . . . . ?
C32 C33 C34 C35 1.6(7) . . . . ?
C33 C34 C35 C36 1.1(8) . . . . ?
C32 C31 C36 C35 1.0(7) . . . . ?
P2 C31 C36 C35 176.3(4) . . . . ?
C34 C35 C36 C31 -2.4(8) . . . . ?
C47 P2 C41 C46 32.2(4) . . . . ?
C31 P2 C41 C46 135.1(4) . . . . ?
Fe1 P2 C41 C46 -86.1(4) . . . . ?
C47 P2 C41 C42 -149.7(4) . . . . ?
C31 P2 C41 C42 -46.8(4) . . . . ?
Fe1 P2 C41 C42 92.0(4) . . . . ?
C46 C41 C42 C43 -0.2(7) . . . . ?
P2 C41 C42 C43 -178.4(4) . . . . ?
C41 C42 C43 C44 -1.1(8) . . . . ?
C42 C43 C44 C45 1.5(8) . . . . ?
C43 C44 C45 C46 -0.5(8) . . . . ?
C44 C45 C46 C41 -0.8(8) . . . . ?
C42 C41 C46 C45 1.1(7) . . . . ?
P2 C41 C46 C45 179.3(4) . . . . ?
C41 P2 C47 C48 -177.3(3) . . . . ?
C31 P2 C47 C48 78.7(3) . . . . ?
Fe1 P2 C47 C48 -49.6(3) . . . . ?
P2 C47 C48 P3 40.4(4) . . . . ?
C51 P3 C48 C47 -144.0(3) . . . . ?
C61 P3 C48 C47 113.1(3) . . . . ?
Fe1 P3 C48 C47 -15.7(4) . . . . ?
C61 P3 C51 C56 -36.8(5) . . . . ?
C48 P3 C51 C56 -141.9(4) . . . . ?
Fe1 P3 C51 C56 96.0(4) . . . . ?
C61 P3 C51 C52 150.4(4) . . . . ?
C48 P3 C51 C52 45.3(5) . . . . ?
Fe1 P3 C51 C52 -76.8(4) . . . . ?
C56 C51 C52 C53 -0.1(8) . . . . ?
P3 C51 C52 C53 172.9(4) . . . . ?
C51 C52 C53 C54 -1.3(9) . . . . ?
C52 C53 C54 C55 1.7(10) . . . . ?
C53 C54 C55 C56 -0.8(10) . . . . ?
C54 C55 C56 C51 -0.5(10) . . . . ?
C52 C51 C56 C55 0.9(8) . . . . ?
P3 C51 C56 C55 -172.2(5) . . . . ?
C51 P3 C61 C66 120.3(4) . . . . ?
C48 P3 C61 C66 -134.3(4) . . . . ?
Fe1 P3 C61 C66 -12.2(5) . . . . ?
C51 P3 C61 C62 -60.3(5) . . . . ?
C48 P3 C61 C62 45.1(5) . . . . ?
Fe1 P3 C61 C62 167.3(4) . . . . ?
C66 C61 C62 C63 -1.7(8) . . . . ?
P3 C61 C62 C63 178.9(5) . . . . ?
C61 C62 C63 C64 1.4(9) . . . . ?
C62 C63 C64 C65 -0.4(9) . . . . ?
C63 C64 C65 C66 -0.3(8) . . . . ?
C62 C61 C66 C65 1.1(7) . . . . ?
P3 C61 C66 C65 -179.5(4) . . . . ?
C64 C65 C66 C61 -0.1(8) . . . . ?
C83 P4 C71 C72 -28.5(4) . . . . ?
C77 P4 C71 C72 -143.2(4) . . . . ?
Pd2 P4 C71 C72 103.0(3) . . . . ?
C83 P4 C71 C76 152.2(4) . . . . ?
C77 P4 C71 C76 37.5(4) . . . . ?
Pd2 P4 C71 C76 -76.2(4) . . . . ?
C76 C71 C72 C73 0.3(7) . . . . ?
P4 C71 C72 C73 -179.0(4) . . . . ?
C71 C72 C73 C74 -1.4(7) . . . . ?
C72 C73 C74 C75 1.4(8) . . . . ?
C73 C74 C75 C76 -0.3(8) . . . . ?
C74 C75 C76 C71 -0.9(8) . . . . ?
C72 C71 C76 C75 0.9(7) . . . . ?
P4 C71 C76 C75 -179.9(4) . . . . ?
C83 P4 C77 C78 149.6(4) . . . . ?
C71 P4 C77 C78 -97.4(4) . . . . ?
Pd2 P4 C77 C78 24.8(4) . . . . ?
C83 P4 C77 C82 -31.7(4) . . . . ?
C71 P4 C77 C82 81.3(4) . . . . ?
Pd2 P4 C77 C82 -156.5(3) . . . . ?
C82 C77 C78 C79 0.5(7) . . . . ?
P4 C77 C78 C79 179.2(4) . . . . ?
C77 C78 C79 C80 -0.1(8) . . . . ?
C78 C79 C80 C81 -0.7(8) . . . . ?
C79 C80 C81 C82 1.1(8) . . . . ?
C80 C81 C82 C77 -0.6(8) . . . . ?
C78 C77 C82 C81 -0.2(7) . . . . ?
P4 C77 C82 C81 -178.9(4) . . . . ?
C77 P4 C83 C84 -131(4) . . . . ?
C71 P4 C83 C84 118(4) . . . . ?
Pd2 P4 C83 C84 -14(5) . . . . ?
P4 C83 C84 Fe2 -96(7) . . . . ?
C91 Fe2 C84 C83 -41(6) . . . . ?
C92 Fe2 C84 C83 -80(6) . . . . ?
C95 Fe2 C84 C83 -25(6) . . . . ?
C93 Fe2 C84 C83 -107(6) . . . . ?
C94 Fe2 C84 C83 -84(6) . . . . ?
P6 Fe2 C84 C83 69(6) . . . . ?
P5 Fe2 C84 C83 155(6) . . . . ?
C84 Fe2 C91 C95 161.7(3) . . . . ?
C92 Fe2 C91 C95 -117.4(4) . . . . ?
C93 Fe2 C91 C95 -79.6(3) . . . . ?
C94 Fe2 C91 C95 -36.6(3) . . . . ?
P6 Fe2 C91 C95 78.9(3) . . . . ?
P5 Fe2 C91 C95 -86.5(5) . . . . ?
C84 Fe2 C91 C92 -80.9(3) . . . . ?
C95 Fe2 C91 C92 117.4(4) . . . . ?
C93 Fe2 C91 C92 37.8(3) . . . . ?
C94 Fe2 C91 C92 80.8(3) . . . . ?
P6 Fe2 C91 C92 -163.7(2) . . . . ?
P5 Fe2 C91 C92 30.9(6) . . . . ?
C84 Fe2 C91 C96 37.7(5) . . . . ?
C92 Fe2 C91 C96 118.6(6) . . . . ?
C95 Fe2 C91 C96 -124.1(6) . . . . ?
C93 Fe2 C91 C96 156.4(5) . . . . ?
C94 Fe2 C91 C96 -160.6(5) . . . . ?
P6 Fe2 C91 C96 -45.1(5) . . . . ?
P5 Fe2 C91 C96 149.4(4) . . . . ?
C95 C91 C92 C93 -0.1(5) . . . . ?
C96 C91 C92 C93 172.6(4) . . . . ?
Fe2 C91 C92 C93 -61.9(3) . . . . ?
C95 C91 C92 C97 -172.8(4) . . . . ?
C96 C91 C92 C97 -0.1(7) . . . . ?
Fe2 C91 C92 C97 125.4(4) . . . . ?
C95 C91 C92 Fe2 61.8(3) . . . . ?
C96 C91 C92 Fe2 -125.5(4) . . . . ?
C84 Fe2 C92 C93 -141.3(3) . . . . ?
C91 Fe2 C92 C93 117.7(4) . . . . ?
C95 Fe2 C92 C93 79.7(3) . . . . ?
C94 Fe2 C92 C93 37.0(2) . . . . ?
P6 Fe2 C92 C93 147.1(2) . . . . ?
P5 Fe2 C92 C93 -51.4(3) . . . . ?
C84 Fe2 C92 C91 101.0(3) . . . . ?
C95 Fe2 C92 C91 -38.0(3) . . . . ?
C93 Fe2 C92 C91 -117.7(4) . . . . ?
C94 Fe2 C92 C91 -80.7(3) . . . . ?
P6 Fe2 C92 C91 29.4(4) . . . . ?
P5 Fe2 C92 C91 -169.1(2) . . . . ?
C84 Fe2 C92 C97 -19.0(4) . . . . ?
C91 Fe2 C92 C97 -120.0(5) . . . . ?
C95 Fe2 C92 C97 -158.0(5) . . . . ?
C93 Fe2 C92 C97 122.3(5) . . . . ?
C94 Fe2 C92 C97 159.3(5) . . . . ?
P6 Fe2 C92 C97 -90.6(5) . . . . ?
P5 Fe2 C92 C97 70.9(5) . . . . ?
C91 C92 C93 C94 1.0(5) . . . . ?
C97 C92 C93 C94 173.6(4) . . . . ?
Fe2 C92 C93 C94 -60.0(3) . . . . ?
C91 C92 C93 C98 -169.4(4) . . . . ?
C97 C92 C93 C98 3.3(7) . . . . ?
Fe2 C92 C93 C98 129.7(4) . . . . ?
C91 C92 C93 Fe2 61.0(3) . . . . ?
C97 C92 C93 Fe2 -126.4(4) . . . . ?
C84 Fe2 C93 C92 45.4(3) . . . . ?
C91 Fe2 C93 C92 -38.2(3) . . . . ?
C95 Fe2 C93 C92 -81.5(3) . . . . ?
C94 Fe2 C93 C92 -119.4(4) . . . . ?
P6 Fe2 C93 C92 -122.5(4) . . . . ?
P5 Fe2 C93 C92 139.6(2) . . . . ?
C84 Fe2 C93 C94 164.8(3) . . . . ?
C91 Fe2 C93 C94 81.2(3) . . . . ?
C92 Fe2 C93 C94 119.4(4) . . . . ?
C95 Fe2 C93 C94 37.9(3) . . . . ?
P6 Fe2 C93 C94 -3.2(5) . . . . ?
P5 Fe2 C93 C94 -101.0(2) . . . . ?
C84 Fe2 C93 C98 -73.4(5) . . . . ?
C91 Fe2 C93 C98 -157.0(5) . . . . ?
C92 Fe2 C93 C98 -118.8(6) . . . . ?
C95 Fe2 C93 C98 159.7(5) . . . . ?
C94 Fe2 C93 C98 121.8(6) . . . . ?
P6 Fe2 C93 C98 118.7(4) . . . . ?
P5 Fe2 C93 C98 20.8(5) . . . . ?
C92 C93 C94 C95 -1.5(5) . . . . ?
C98 C93 C94 C95 168.7(4) . . . . ?
Fe2 C93 C94 C95 -60.8(3) . . . . ?
C92 C93 C94 C99 -169.4(4) . . . . ?
C98 C93 C94 C99 0.8(7) . . . . ?
Fe2 C93 C94 C99 131.4(4) . . . . ?
C92 C93 C94 Fe2 59.3(3) . . . . ?
C98 C93 C94 Fe2 -130.6(4) . . . . ?
C84 Fe2 C94 C95 84.5(5) . . . . ?
C91 Fe2 C94 C95 36.9(3) . . . . ?
C92 Fe2 C94 C95 80.4(3) . . . . ?
C93 Fe2 C94 C95 117.4(4) . . . . ?
P6 Fe2 C94 C95 -63.8(3) . . . . ?
P5 Fe2 C94 C95 -156.9(2) . . . . ?
C84 Fe2 C94 C93 -32.9(5) . . . . ?
C91 Fe2 C94 C93 -80.5(3) . . . . ?
C92 Fe2 C94 C93 -37.0(2) . . . . ?
C95 Fe2 C94 C93 -117.4(4) . . . . ?
P6 Fe2 C94 C93 178.7(2) . . . . ?
P5 Fe2 C94 C93 85.7(2) . . . . ?
C84 Fe2 C94 C99 -153.7(4) . . . . ?
C91 Fe2 C94 C99 158.6(5) . . . . ?
C92 Fe2 C94 C99 -157.8(5) . . . . ?
C95 Fe2 C94 C99 121.8(6) . . . . ?
C93 Fe2 C94 C99 -120.8(6) . . . . ?
P6 Fe2 C94 C99 57.9(5) . . . . ?
P5 Fe2 C94 C99 -35.1(5) . . . . ?
C92 C91 C95 C94 -0.9(5) . . . . ?
C96 C91 C95 C94 -173.2(4) . . . . ?
Fe2 C91 C95 C94 60.4(3) . . . . ?
C92 C91 C95 C100 170.0(4) . . . . ?
C96 C91 C95 C100 -2.4(8) . . . . ?
Fe2 C91 C95 C100 -128.8(5) . . . . ?
C92 C91 C95 Fe2 -61.2(3) . . . . ?
C96 C91 C95 Fe2 126.4(5) . . . . ?
C93 C94 C95 C91 1.5(5) . . . . ?
C99 C94 C95 C91 169.2(4) . . . . ?
Fe2 C94 C95 C91 -59.5(3) . . . . ?
C93 C94 C95 C100 -169.6(4) . . . . ?
C99 C94 C95 C100 -1.8(7) . . . . ?
Fe2 C94 C95 C100 129.5(5) . . . . ?
C93 C94 C95 Fe2 61.0(3) . . . . ?
C99 C94 C95 Fe2 -131.3(5) . . . . ?
C84 Fe2 C95 C91 -25.2(4) . . . . ?
C92 Fe2 C95 C91 38.4(3) . . . . ?
C93 Fe2 C95 C91 81.7(3) . . . . ?
C94 Fe2 C95 C91 119.8(4) . . . . ?
P6 Fe2 C95 C91 -111.6(2) . . . . ?
P5 Fe2 C95 C91 153.8(2) . . . . ?
C84 Fe2 C95 C94 -145.0(3) . . . . ?
C91 Fe2 C95 C94 -119.8(4) . . . . ?
C92 Fe2 C95 C94 -81.4(3) . . . . ?
C93 Fe2 C95 C94 -38.1(3) . . . . ?
P6 Fe2 C95 C94 128.6(3) . . . . ?
P5 Fe2 C95 C94 34.0(3) . . . . ?
C84 Fe2 C95 C100 95.4(5) . . . . ?
C91 Fe2 C95 C100 120.5(6) . . . . ?
C92 Fe2 C95 C100 158.9(6) . . . . ?
C93 Fe2 C95 C100 -157.8(6) . . . . ?
C94 Fe2 C95 C100 -119.7(6) . . . . ?
P6 Fe2 C95 C100 9.0(5) . . . . ?
P5 Fe2 C95 C100 -85.7(5) . . . . ?
C111 P5 C101 C102 -123.2(4) . . . . ?
C117 P5 C101 C102 132.0(4) . . . . ?
Fe2 P5 C101 C102 10.4(4) . . . . ?
C111 P5 C101 C106 55.5(4) . . . . ?
C117 P5 C101 C106 -49.4(4) . . . . ?
Fe2 P5 C101 C106 -171.0(3) . . . . ?
C106 C101 C102 C103 -0.4(7) . . . . ?
P5 C101 C102 C103 178.3(4) . . . . ?
C101 C102 C103 C104 0.1(8) . . . . ?
C102 C103 C104 C105 0.4(8) . . . . ?
C103 C104 C105 C106 -0.7(8) . . . . ?
C104 C105 C106 C101 0.4(8) . . . . ?
C102 C101 C106 C105 0.1(7) . . . . ?
P5 C101 C106 C105 -178.6(4) . . . . ?
C101 P5 C111 C116 -147.9(4) . . . . ?
C117 P5 C111 C116 -41.5(4) . . . . ?
Fe2 P5 C111 C116 80.6(4) . . . . ?
C101 P5 C111 C112 35.1(4) . . . . ?
C117 P5 C111 C112 141.5(4) . . . . ?
Fe2 P5 C111 C112 -96.4(4) . . . . ?
C116 C111 C112 C113 -0.8(7) . . . . ?
P5 C111 C112 C113 176.3(4) . . . . ?
C111 C112 C113 C114 0.6(8) . . . . ?
C112 C113 C114 C115 0.4(8) . . . . ?
C113 C114 C115 C116 -1.2(9) . . . . ?
C114 C115 C116 C111 1.0(9) . . . . ?
C112 C111 C116 C115 0.0(7) . . . . ?
P5 C111 C116 C115 -177.1(4) . . . . ?
C101 P5 C117 C118 -108.3(3) . . . . ?
C111 P5 C117 C118 148.1(3) . . . . ?
Fe2 P5 C117 C118 18.5(3) . . . . ?
P5 C117 C118 P6 -40.5(4) . . . . ?
C121 P6 C118 C117 172.9(3) . . . . ?
C131 P6 C118 C117 -83.1(3) . . . . ?
Fe2 P6 C118 C117 46.4(3) . . . . ?
C118 P6 C121 C122 -13.2(4) . . . . ?
C131 P6 C121 C122 -117.3(4) . . . . ?
Fe2 P6 C121 C122 103.9(4) . . . . ?
C118 P6 C121 C126 169.1(4) . . . . ?
C131 P6 C121 C126 64.9(4) . . . . ?
Fe2 P6 C121 C126 -73.8(4) . . . . ?
C126 C121 C122 C123 -1.9(7) . . . . ?
P6 C121 C122 C123 -179.6(4) . . . . ?
C121 C122 C123 C124 0.9(7) . . . . ?
C122 C123 C124 C125 1.1(8) . . . . ?
C123 C124 C125 C126 -2.0(9) . . . . ?
C122 C121 C126 C125 1.0(8) . . . . ?
P6 C121 C126 C125 178.8(4) . . . . ?
C124 C125 C126 C121 0.9(9) . . . . ?
C121 P6 C131 C132 -160.8(4) . . . . ?
C118 P6 C131 C132 94.3(4) . . . . ?
Fe2 P6 C131 C132 -23.7(4) . . . . ?
C121 P6 C131 C136 27.3(4) . . . . ?
C118 P6 C131 C136 -77.6(4) . . . . ?
Fe2 P6 C131 C136 164.4(3) . . . . ?
C136 C131 C132 C133 2.3(7) . . . . ?
P6 C131 C132 C133 -169.7(4) . . . . ?
C131 C132 C133 C134 -0.3(8) . . . . ?
C132 C133 C134 C135 -2.2(8) . . . . ?
C133 C134 C135 C136 2.5(8) . . . . ?
C134 C135 C136 C131 -0.5(7) . . . . ?
C132 C131 C136 C135 -2.0(7) . . . . ?
P6 C131 C136 C135 170.0(3) . . . . ?
_database_code_depnum_ccdc_archive 'CCDC 951976'
#===============================================================================
data_global
#===============================================================================
_audit_creation_date             2013/07/23

# 1. SUBMISSION DETAILS

_publ_contact_author_name        'Duncan Carmichael'
_publ_contact_author_address     
;Laboratoire DCPH
Ecole Polytechnique
Route de Saclay
F91128 Palaiseau
France
;
_publ_contact_author_email       duncan_carmichael@yahoo.co.uk
_publ_contact_author_phone       33016933415
_publ_contact_author_fax         330169334440

_publ_contact_letter             
;
     Please consider this CIF submission for publication as a new structure
     paper in Chemical Communication. The figures, chemical
     structure diagram (scheme), Transfert of Copyright Agreement form and
     structure factors will be sent on receipt of your acknowledgement letter
;
#===============================================================================

# 2. PROCESSING SUMMARY (IUCr Office Use Only)

_journal_date_recd_electronic    ?

_journal_date_to_coeditor        ?
_journal_date_from_coeditor      ?
_journal_date_accepted           ?

_journal_date_printers_first     ?
_journal_date_printers_final     ?
_journal_date_proofs_out         ?
_journal_date_proofs_in          ?


_journal_coeditor_name           ?
_journal_coeditor_code           ?
_journal_coeditor_notes          
; ?
;

_journal_techeditor_code         ?
_journal_techeditor_notes        
; ?
;

_journal_coden_ASTM              ?
_journal_name_full               ?
_journal_year                    ?
_journal_volume                  ?

_journal_issue                   ?
_journal_page_first              ?
_journal_page_last               ?

_journal_suppl_publ_number       ?
_journal_suppl_publ_pages        ?

#===============================================================================

# 3. TITLE AND AUTHOR LIST

_publ_section_title              
;
Redox- active phosphines: synthesis and crystal structures of palladium (II) 
complexes of metallaphosphines in two different oxidation states.
;
# The loop structure below should contain the names  and addresses of all
# authors, in the required order  of publication. Repeat as necessary.


loop_
_publ_author_name
;
Ayham TohmÃ a
Stephanie Labouille b 
Thierry Roisnel a 
Vincent Dorcet a  
Duncan Carmichael b 
FrÃdÃric Paul a
;
_publ_author_address             
;
a)
Institut des Sciences Chimiques de Rennes, 
CNRS (UMR 6226) UniversitÃ de Rennes 1, 
Campus de Beaulieu, 
F-35042 Rennes Cedex, 
France 
b)Laboratoire Heteroelements et Coordination, 
CNRS UMR 7653,
DCPH Ecole Polytechnique,
F-91128 Palaiseau Cedex
France
;

#===============================================================================
# 4. TEXT

_publ_section_abstract           
; ?
;

_publ_section_comment            
; 
;
_publ_section_exptl_prep         
;
;

_publ_section_references         
;
;


_publ_section_figure_captions    
; ?
;

_publ_section_acknowledgements   
; ?
;


#----------------------------------------------------------------------------#
#===END 
#----------------------------------------------------------------------------#

data_AY243

_audit_creation_date             2013-01-21T17:13:32-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_publ_requested_category         FM

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C100 H98 Cl4 Fe2 P6 Pd2, 2(F6 P)'
_chemical_formula_sum            'C100 H98 Cl4 F12 Fe2 P8 Pd2'
_chemical_formula_weight         2241.84
_chemical_compound_source        'synthesis as described'

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.1942(4)
_cell_length_b                   14.2910(6)
_cell_length_c                   19.6889(8)
_cell_angle_alpha                91.262(2)
_cell_angle_beta                 98.633(2)
_cell_angle_gamma                106.329(2)
_cell_volume                     2448.90(18)
_cell_formula_units_Z            1
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    4538
_cell_measurement_theta_min      2.4
_cell_measurement_theta_max      25.85
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       stick
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.58
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.09
_exptl_crystal_density_diffrn    1.52
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1138
_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    0.960
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
  [Sheldrick, G.M. (2002). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_absorpt_correction_T_min  0.685
_exptl_absorpt_correction_T_max  0.917


#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_measurement_device_type  'APEXII, Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_detector                 'CCD plate'
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_reflns_av_R_equivalents  0.0559
_diffrn_reflns_av_unetI/netI     0.0935
_diffrn_reflns_number            28200
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.98
_diffrn_reflns_theta_max         27.44
_diffrn_reflns_theta_full        25
_diffrn_measured_fraction_theta_full 0.97
_diffrn_measured_fraction_theta_max 0.959
_reflns_number_total             10716
_reflns_number_gt                6740
_reflns_threshold_expression     >2sigma(I)

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'Bruker APEX2 (Bruker, 2006)'
_computing_cell_refinement       'Bruker APEX2 (Bruker, 2006)'
_computing_data_reduction        'Bruker APEX2 (Bruker, 2006)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  
;
           WinGX publication routines (Farrugia, 1999),
           CRYSCAL (T. Roisnel, local program)
;

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0344P)²+5.7105P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         10716
_refine_ls_number_parameters     582
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1099
_refine_ls_R_factor_gt           0.053
_refine_ls_wR_factor_ref         0.1252
_refine_ls_wR_factor_gt          0.0996
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.154
_refine_diff_density_min         -0.998
_refine_diff_density_rms         0.121


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'


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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.00387(4) 0.42876(3) 0.570099(17) 0.02041(11) Uani 1 1 d . . .
Cl1 Cl -0.16789(15) 0.29509(10) 0.60216(6) 0.0321(3) Uani 1 1 d . . .
Cl2 Cl -0.16905(15) 0.43129(9) 0.46466(6) 0.0333(4) Uani 1 1 d . . .
Fe1 Fe 0.20468(8) 0.13322(5) 0.76318(3) 0.01845(16) Uani 1 1 d . . .
P1 P 0.35286(15) 0.12348(9) 0.68121(6) 0.0215(3) Uani 1 1 d . . .
P2 P 0.42127(16) 0.24275(9) 0.82453(6) 0.0213(3) Uani 1 1 d . . .
P3 P 0.15786(14) 0.43546(9) 0.66945(6) 0.0171(3) Uani 1 1 d . . .
C1 C -0.0018(6) 0.1086(4) 0.8045(2) 0.0270(12) Uani 1 1 d . . .
C2 C 0.1008(6) 0.0673(3) 0.8479(2) 0.0253(12) Uani 1 1 d . . .
C3 C 0.1303(6) -0.0078(3) 0.8080(2) 0.0230(11) Uani 1 1 d . . .
C4 C 0.0457(6) -0.0137(3) 0.7400(2) 0.0231(11) Uani 1 1 d . . .
C5 C -0.0372(6) 0.0580(4) 0.7380(2) 0.0245(11) Uani 1 1 d . . .
C6 C -0.0720(6) 0.1859(4) 0.8255(3) 0.0329(13) Uani 1 1 d . . .
H6A H -0.0962 0.2216 0.7855 0.049 Uiso 1 1 calc R . .
H6B H 0.0009 0.2316 0.8612 0.049 Uiso 1 1 calc R . .
H6C H -0.1665 0.155 0.8436 0.049 Uiso 1 1 calc R . .
C7 C 0.1442(7) 0.0846(4) 0.9243(2) 0.0340(14) Uani 1 1 d . . .
H7A H 0.1218 0.1442 0.9392 0.051 Uiso 1 1 calc R . .
H7B H 0.2542 0.092 0.9374 0.051 Uiso 1 1 calc R . .
H7C H 0.0851 0.0289 0.9464 0.051 Uiso 1 1 calc R . .
C8 C 0.2064(6) -0.0823(4) 0.8354(3) 0.0303(13) Uani 1 1 d . . .
H8A H 0.1279 -0.1425 0.8418 0.046 Uiso 1 1 calc R . .
H8B H 0.272 -0.0569 0.8797 0.046 Uiso 1 1 calc R . .
H8C H 0.2692 -0.0963 0.8026 0.046 Uiso 1 1 calc R . .
C9 C 0.0256(7) -0.0917(4) 0.6846(2) 0.0312(13) Uani 1 1 d . . .
H9A H -0.0667 -0.1453 0.6874 0.047 Uiso 1 1 calc R . .
H9B H 0.1156 -0.1165 0.6904 0.047 Uiso 1 1 calc R . .
H9C H 0.0147 -0.0644 0.6395 0.047 Uiso 1 1 calc R . .
C10 C -0.1525(6) 0.0695(4) 0.6792(3) 0.0318(13) Uani 1 1 d . . .
H10A H -0.2562 0.0373 0.6881 0.048 Uiso 1 1 calc R . .
H10B H -0.136 0.0396 0.6368 0.048 Uiso 1 1 calc R . .
H10C H -0.1408 0.1391 0.674 0.048 Uiso 1 1 calc R . .
C11 C 0.5430(6) 0.2879(4) 0.7590(2) 0.0239(11) Uani 1 1 d . . .
H11A H 0.4989 0.3313 0.7291 0.029 Uiso 1 1 calc R . .
H11B H 0.6476 0.3254 0.7814 0.029 Uiso 1 1 calc R . .
C12 C 0.5493(6) 0.1996(4) 0.7166(2) 0.0264(12) Uani 1 1 d . . .
H12A H 0.6038 0.1605 0.7458 0.032 Uiso 1 1 calc R . .
H12B H 0.6069 0.2215 0.6784 0.032 Uiso 1 1 calc R . .
C13 C 0.5569(6) 0.2074(4) 0.8906(2) 0.0268(12) Uani 1 1 d . . .
C14 C 0.5510(6) 0.1099(4) 0.8972(2) 0.0277(12) Uani 1 1 d . . .
H14 H 0.4722 0.0602 0.8694 0.033 Uiso 1 1 calc R . .
C15 C 0.6610(7) 0.0844(4) 0.9448(3) 0.0404(15) Uani 1 1 d . . .
H15 H 0.6581 0.0177 0.9488 0.048 Uiso 1 1 calc R . .
C16 C 0.7729(8) 0.1566(5) 0.9856(3) 0.0456(17) Uani 1 1 d . . .
H16 H 0.847 0.1397 1.0183 0.055 Uiso 1 1 calc R . .
C17 C 0.7784(8) 0.2536(5) 0.9793(3) 0.0445(16) Uani 1 1 d . . .
H17 H 0.856 0.3032 1.0078 0.053 Uiso 1 1 calc R . .
C18 C 0.6712(7) 0.2787(4) 0.9318(3) 0.0366(14) Uani 1 1 d . . .
H18 H 0.6762 0.3456 0.9276 0.044 Uiso 1 1 calc R . .
C19 C 0.3960(6) 0.3496(3) 0.8679(2) 0.0245(12) Uani 1 1 d . . .
C20 C 0.3273(7) 0.3388(4) 0.9267(3) 0.0392(15) Uani 1 1 d . . .
H20 H 0.2968 0.2762 0.9443 0.047 Uiso 1 1 calc R . .
C21 C 0.3026(8) 0.4186(5) 0.9599(3) 0.0478(17) Uani 1 1 d . . .
H21 H 0.2548 0.4101 0.9998 0.057 Uiso 1 1 calc R . .
C22 C 0.3472(8) 0.5095(4) 0.9350(3) 0.0467(17) Uani 1 1 d . . .
H22 H 0.3284 0.5638 0.957 0.056 Uiso 1 1 calc R . .
C23 C 0.4191(8) 0.5219(4) 0.8782(3) 0.0484(18) Uani 1 1 d . . .
H23 H 0.4529 0.5853 0.862 0.058 Uiso 1 1 calc R . .
C24 C 0.4431(8) 0.4420(4) 0.8437(3) 0.0399(16) Uani 1 1 d . . .
H24 H 0.4915 0.4511 0.804 0.048 Uiso 1 1 calc R . .
C25 C 0.3771(6) 0.0048(4) 0.6566(2) 0.0255(12) Uani 1 1 d . . .
C26 C 0.4436(6) -0.0453(4) 0.7061(3) 0.0304(13) Uani 1 1 d . . .
H26 H 0.4857 -0.0146 0.7508 0.037 Uiso 1 1 calc R . .
C27 C 0.4494(7) -0.1398(4) 0.6910(3) 0.0360(14) Uani 1 1 d . . .
H27 H 0.4948 -0.1736 0.7251 0.043 Uiso 1 1 calc R . .
C28 C 0.3885(7) -0.1835(4) 0.6262(3) 0.0416(15) Uani 1 1 d . . .
H28 H 0.389 -0.2487 0.6162 0.05 Uiso 1 1 calc R . .
C29 C 0.3276(7) -0.1350(4) 0.5761(3) 0.0389(15) Uani 1 1 d . . .
H29 H 0.2897 -0.1658 0.5312 0.047 Uiso 1 1 calc R . .
C30 C 0.3203(6) -0.0401(4) 0.5903(3) 0.0336(13) Uani 1 1 d . . .
H30 H 0.2772 -0.0066 0.5552 0.04 Uiso 1 1 calc R . .
C31 C 0.3018(6) 0.1710(3) 0.5982(2) 0.0225(11) Uani 1 1 d . . .
C32 C 0.1510(6) 0.1692(4) 0.5742(2) 0.0291(13) Uani 1 1 d . . .
H32 H 0.0742 0.145 0.6019 0.035 Uiso 1 1 calc R . .
C33 C 0.1108(7) 0.2024(4) 0.5104(2) 0.0374(15) Uani 1 1 d . . .
H33 H 0.0067 0.1992 0.4942 0.045 Uiso 1 1 calc R . .
C34 C 0.2226(7) 0.2401(4) 0.4702(3) 0.0380(15) Uani 1 1 d . . .
H34 H 0.1958 0.2646 0.4271 0.046 Uiso 1 1 calc R . .
C35 C 0.3734(7) 0.2419(4) 0.4933(3) 0.0396(15) Uani 1 1 d . . .
H35 H 0.4503 0.2675 0.4659 0.047 Uiso 1 1 calc R . .
C36 C 0.4125(7) 0.2062(4) 0.5566(3) 0.0324(13) Uani 1 1 d . . .
H36 H 0.5155 0.2059 0.5716 0.039 Uiso 1 1 calc R . .
C37 C 0.1777(6) 0.2492(3) 0.7256(2) 0.0193(10) Uani 1 1 d . . .
C38 C 0.1587(5) 0.3252(3) 0.7041(2) 0.0181(10) Uani 1 1 d . . .
C39 C 0.3574(5) 0.4924(3) 0.6611(2) 0.0203(11) Uani 1 1 d . . .
C40 C 0.4521(6) 0.5757(4) 0.7002(2) 0.0292(13) Uani 1 1 d . . .
H40 H 0.4119 0.6099 0.7312 0.035 Uiso 1 1 calc R . .
C41 C 0.6055(7) 0.6078(4) 0.6933(3) 0.0408(16) Uani 1 1 d . . .
H41 H 0.6709 0.6644 0.7198 0.049 Uiso 1 1 calc R . .
C42 C 0.6648(7) 0.5588(5) 0.6485(3) 0.0422(15) Uani 1 1 d . . .
H42 H 0.7708 0.5809 0.645 0.051 Uiso 1 1 calc R . .
C43 C 0.5697(7) 0.4773(4) 0.6085(3) 0.0386(14) Uani 1 1 d . . .
H43 H 0.6102 0.4446 0.5768 0.046 Uiso 1 1 calc R . .
C44 C 0.4159(6) 0.4433(4) 0.6146(3) 0.0315(13) Uani 1 1 d . . .
H44 H 0.3508 0.3872 0.5875 0.038 Uiso 1 1 calc R . .
C45 C 0.0990(6) 0.5067(4) 0.7314(2) 0.0207(11) Uani 1 1 d . . .
C46 C 0.0941(7) 0.6011(4) 0.7190(3) 0.0350(14) Uani 1 1 d . . .
H46 H 0.1304 0.6307 0.6796 0.042 Uiso 1 1 calc R . .
C47 C 0.0365(8) 0.6521(4) 0.7637(3) 0.0450(16) Uani 1 1 d . . .
H47 H 0.035 0.717 0.755 0.054 Uiso 1 1 calc R . .
C48 C -0.0188(8) 0.6105(5) 0.8206(3) 0.0483(17) Uani 1 1 d . . .
H48 H -0.0597 0.6457 0.8505 0.058 Uiso 1 1 calc R . .
C49 C -0.0139(8) 0.5164(5) 0.8335(3) 0.0537(18) Uani 1 1 d . . .
H49 H -0.0514 0.4868 0.8726 0.064 Uiso 1 1 calc R . .
C50 C 0.0459(7) 0.4652(4) 0.7892(3) 0.0386(15) Uani 1 1 d . . .
H50 H 0.0503 0.4011 0.7988 0.046 Uiso 1 1 calc R . .
P4 P 0.72673(19) 0.81801(11) 0.87114(7) 0.0373(4) Uani 1 1 d . . .
F41 F 0.7636(5) 0.7259(3) 0.9044(2) 0.0719(12) Uani 1 1 d . . .
F42 F 0.5737(4) 0.7493(3) 0.82590(17) 0.0572(11) Uani 1 1 d . . .
F43 F 0.6348(4) 0.8287(3) 0.93125(18) 0.0602(11) Uani 1 1 d . . .
F44 F 0.6930(5) 0.9113(3) 0.8373(2) 0.0694(12) Uani 1 1 d . . .
F45 F 0.8796(5) 0.8877(3) 0.91564(18) 0.0757(14) Uani 1 1 d . . .
F46 F 0.8193(5) 0.8068(3) 0.81015(18) 0.0633(12) Uani 1 1 d . . .





#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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
Pd1 P3 2.2191(12) . ?
Pd1 Cl1 2.2798(13) . ?
Pd1 Cl2 2.3323(12) 2_566 ?
Pd1 Cl2 2.4256(12) . ?
Cl2 Pd1 2.3322(12) 2_566 ?
Fe1 C37 1.893(5) . ?
Fe1 C1 2.119(5) . ?
Fe1 C2 2.151(5) . ?
Fe1 C5 2.156(5) . ?
Fe1 C4 2.188(5) . ?
Fe1 C3 2.190(5) . ?
Fe1 P1 2.2883(15) . ?
Fe1 P2 2.3057(14) . ?
P1 C31 1.830(5) . ?
P1 C25 1.835(5) . ?
P1 C12 1.848(5) . ?
P2 C19 1.822(5) . ?
P2 C11 1.843(5) . ?
P2 C13 1.843(5) . ?
P3 C38 1.732(5) . ?
P3 C45 1.809(5) . ?
P3 C39 1.820(5) . ?
C1 C5 1.428(7) . ?
C1 C2 1.436(7) . ?
C1 C6 1.508(7) . ?
C2 C3 1.427(7) . ?
C2 C7 1.493(6) . ?
C3 C4 1.432(6) . ?
C3 C8 1.498(7) . ?
C4 C5 1.437(7) . ?
C4 C9 1.497(7) . ?
C5 C10 1.493(7) . ?
C6 H6A 0.98 . ?
C6 H6B 0.98 . ?
C6 H6C 0.98 . ?
C7 H7A 0.98 . ?
C7 H7B 0.98 . ?
C7 H7C 0.98 . ?
C8 H8A 0.98 . ?
C8 H8B 0.98 . ?
C8 H8C 0.98 . ?
C9 H9A 0.98 . ?
C9 H9B 0.98 . ?
C9 H9C 0.98 . ?
C10 H10A 0.98 . ?
C10 H10B 0.98 . ?
C10 H10C 0.98 . ?
C11 C12 1.516(7) . ?
C11 H11A 0.99 . ?
C11 H11B 0.99 . ?
C12 H12A 0.99 . ?
C12 H12B 0.99 . ?
C13 C18 1.382(7) . ?
C13 C14 1.390(7) . ?
C14 C15 1.405(7) . ?
C14 H14 0.95 . ?
C15 C16 1.373(9) . ?
C15 H15 0.95 . ?
C16 C17 1.383(8) . ?
C16 H16 0.95 . ?
C17 C18 1.383(8) . ?
C17 H17 0.95 . ?
C18 H18 0.95 . ?
C19 C24 1.388(7) . ?
C19 C20 1.391(7) . ?
C20 C21 1.391(8) . ?
C20 H20 0.95 . ?
C21 C22 1.374(8) . ?
C21 H21 0.95 . ?
C22 C23 1.372(9) . ?
C22 H22 0.95 . ?
C23 C24 1.402(8) . ?
C23 H23 0.95 . ?
C24 H24 0.95 . ?
C25 C26 1.392(7) . ?
C25 C30 1.399(7) . ?
C26 C27 1.395(7) . ?
C26 H26 0.95 . ?
C27 C28 1.373(8) . ?
C27 H27 0.95 . ?
C28 C29 1.359(8) . ?
C28 H28 0.95 . ?
C29 C30 1.401(8) . ?
C29 H29 0.95 . ?
C30 H30 0.95 . ?
C31 C32 1.389(7) . ?
C31 C36 1.394(7) . ?
C32 C33 1.387(7) . ?
C32 H32 0.95 . ?
C33 C34 1.387(8) . ?
C33 H33 0.95 . ?
C34 C35 1.386(8) . ?
C34 H34 0.95 . ?
C35 C36 1.393(7) . ?
C35 H35 0.95 . ?
C36 H36 0.95 . ?
C37 C38 1.223(6) . ?
C39 C40 1.394(7) . ?
C39 C44 1.397(7) . ?
C40 C41 1.385(8) . ?
C40 H40 0.95 . ?
C41 C42 1.376(8) . ?
C41 H41 0.95 . ?
C42 C43 1.386(8) . ?
C42 H42 0.95 . ?
C43 C44 1.385(8) . ?
C43 H43 0.95 . ?
C44 H44 0.95 . ?
C45 C50 1.385(7) . ?
C45 C46 1.387(7) . ?
C46 C47 1.386(8) . ?
C46 H46 0.95 . ?
C47 C48 1.377(9) . ?
C47 H47 0.95 . ?
C48 C49 1.385(9) . ?
C48 H48 0.95 . ?
C49 C50 1.392(8) . ?
C49 H49 0.95 . ?
C50 H50 0.95 . ?
P4 F41 1.581(4) . ?
P4 F43 1.582(4) . ?
P4 F44 1.589(4) . ?
P4 F45 1.594(4) . ?
P4 F42 1.595(4) . ?
P4 F46 1.602(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
_geom_angle_publ_flag
P3 Pd1 Cl1 89.67(4) . . ?
P3 Pd1 Cl2 92.42(4) . 2_566 ?
Cl1 Pd1 Cl2 177.05(5) . 2_566 ?
P3 Pd1 Cl2 175.96(5) . . ?
Cl1 Pd1 Cl2 91.41(4) . . ?
Cl2 Pd1 Cl2 86.36(4) 2_566 . ?
Pd1 Cl2 Pd1 93.64(4) 2_566 . ?
C37 Fe1 C1 91.0(2) . . ?
C37 Fe1 C2 124.4(2) . . ?
C1 Fe1 C2 39.3(2) . . ?
C37 Fe1 C5 92.3(2) . . ?
C1 Fe1 C5 39.01(18) . . ?
C2 Fe1 C5 65.17(19) . . ?
C37 Fe1 C4 126.1(2) . . ?
C1 Fe1 C4 64.96(19) . . ?
C2 Fe1 C4 64.41(18) . . ?
C5 Fe1 C4 38.63(19) . . ?
C37 Fe1 C3 154.9(2) . . ?
C1 Fe1 C3 65.0(2) . . ?
C2 Fe1 C3 38.36(18) . . ?
C5 Fe1 C3 64.60(19) . . ?
C4 Fe1 C3 38.17(17) . . ?
C37 Fe1 P1 88.28(14) . . ?
C1 Fe1 P1 155.88(14) . . ?
C2 Fe1 P1 147.27(15) . . ?
C5 Fe1 P1 116.92(14) . . ?
C4 Fe1 P1 96.36(13) . . ?
C3 Fe1 P1 110.38(14) . . ?
C37 Fe1 P2 81.64(14) . . ?
C1 Fe1 P2 117.22(14) . . ?
C2 Fe1 P2 98.94(14) . . ?
C5 Fe1 P2 155.73(15) . . ?
C4 Fe1 P2 152.06(14) . . ?
C3 Fe1 P2 115.05(14) . . ?
P1 Fe1 P2 86.54(5) . . ?
C31 P1 C25 103.1(2) . . ?
C31 P1 C12 105.9(2) . . ?
C25 P1 C12 104.4(2) . . ?
C31 P1 Fe1 116.41(18) . . ?
C25 P1 Fe1 119.57(17) . . ?
C12 P1 Fe1 106.12(17) . . ?
C19 P2 C11 106.8(2) . . ?
C19 P2 C13 101.5(2) . . ?
C11 P2 C13 101.6(2) . . ?
C19 P2 Fe1 117.26(18) . . ?
C11 P2 Fe1 104.11(16) . . ?
C13 P2 Fe1 123.60(17) . . ?
C38 P3 C45 107.4(2) . . ?
C38 P3 C39 104.2(2) . . ?
C45 P3 C39 110.1(2) . . ?
C38 P3 Pd1 116.92(15) . . ?
C45 P3 Pd1 107.10(16) . . ?
C39 P3 Pd1 110.95(14) . . ?
C5 C1 C2 108.2(5) . . ?
C5 C1 C6 124.8(5) . . ?
C2 C1 C6 126.8(5) . . ?
C5 C1 Fe1 71.9(3) . . ?
C2 C1 Fe1 71.5(3) . . ?
C6 C1 Fe1 126.1(4) . . ?
C3 C2 C1 108.0(4) . . ?
C3 C2 C7 124.7(5) . . ?
C1 C2 C7 126.3(5) . . ?
C3 C2 Fe1 72.3(3) . . ?
C1 C2 Fe1 69.1(3) . . ?
C7 C2 Fe1 133.4(4) . . ?
C2 C3 C4 108.0(4) . . ?
C2 C3 C8 126.0(4) . . ?
C4 C3 C8 124.7(4) . . ?
C2 C3 Fe1 69.3(3) . . ?
C4 C3 Fe1 70.8(3) . . ?
C8 C3 Fe1 135.6(4) . . ?
C3 C4 C5 108.1(4) . . ?
C3 C4 C9 125.7(5) . . ?
C5 C4 C9 125.4(5) . . ?
C3 C4 Fe1 71.0(3) . . ?
C5 C4 Fe1 69.5(3) . . ?
C9 C4 Fe1 132.8(3) . . ?
C1 C5 C4 107.7(4) . . ?
C1 C5 C10 126.4(5) . . ?
C4 C5 C10 125.6(5) . . ?
C1 C5 Fe1 69.1(3) . . ?
C4 C5 Fe1 71.9(3) . . ?
C10 C5 Fe1 129.5(3) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 P2 107.5(3) . . ?
C12 C11 H11A 110.2 . . ?
P2 C11 H11A 110.2 . . ?
C12 C11 H11B 110.2 . . ?
P2 C11 H11B 110.2 . . ?
H11A C11 H11B 108.5 . . ?
C11 C12 P1 110.2(4) . . ?
C11 C12 H12A 109.6 . . ?
P1 C12 H12A 109.6 . . ?
C11 C12 H12B 109.6 . . ?
P1 C12 H12B 109.6 . . ?
H12A C12 H12B 108.1 . . ?
C18 C13 C14 119.2(5) . . ?
C18 C13 P2 119.9(4) . . ?
C14 C13 P2 120.9(4) . . ?
C13 C14 C15 120.3(5) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 H14 119.9 . . ?
C16 C15 C14 119.4(5) . . ?
C16 C15 H15 120.3 . . ?
C14 C15 H15 120.3 . . ?
C15 C16 C17 120.4(5) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 H16 119.8 . . ?
C16 C17 C18 120.2(6) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C13 C18 C17 120.6(5) . . ?
C13 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C24 C19 C20 118.8(5) . . ?
C24 C19 P2 121.7(4) . . ?
C20 C19 P2 119.5(4) . . ?
C21 C20 C19 120.8(5) . . ?
C21 C20 H20 119.6 . . ?
C19 C20 H20 119.6 . . ?
C22 C21 C20 120.0(6) . . ?
C22 C21 H21 120 . . ?
C20 C21 H21 120 . . ?
C23 C22 C21 119.9(6) . . ?
C23 C22 H22 120 . . ?
C21 C22 H22 120 . . ?
C22 C23 C24 120.7(5) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
C19 C24 C23 119.7(5) . . ?
C19 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
C26 C25 C30 118.8(5) . . ?
C26 C25 P1 119.4(4) . . ?
C30 C25 P1 121.7(4) . . ?
C25 C26 C27 120.9(5) . . ?
C25 C26 H26 119.6 . . ?
C27 C26 H26 119.6 . . ?
C28 C27 C26 119.2(5) . . ?
C28 C27 H27 120.4 . . ?
C26 C27 H27 120.4 . . ?
C29 C28 C27 121.2(6) . . ?
C29 C28 H28 119.4 . . ?
C27 C28 H28 119.4 . . ?
C28 C29 C30 120.5(5) . . ?
C28 C29 H29 119.7 . . ?
C30 C29 H29 119.7 . . ?
C25 C30 C29 119.4(5) . . ?
C25 C30 H30 120.3 . . ?
C29 C30 H30 120.3 . . ?
C32 C31 C36 118.6(5) . . ?
C32 C31 P1 120.8(4) . . ?
C36 C31 P1 120.5(4) . . ?
C33 C32 C31 121.0(5) . . ?
C33 C32 H32 119.5 . . ?
C31 C32 H32 119.5 . . ?
C34 C33 C32 120.0(5) . . ?
C34 C33 H33 120 . . ?
C32 C33 H33 120 . . ?
C35 C34 C33 119.7(5) . . ?
C35 C34 H34 120.2 . . ?
C33 C34 H34 120.2 . . ?
C34 C35 C36 120.1(5) . . ?
C34 C35 H35 120 . . ?
C36 C35 H35 120 . . ?
C35 C36 C31 120.6(5) . . ?
C35 C36 H36 119.7 . . ?
C31 C36 H36 119.7 . . ?
C38 C37 Fe1 177.1(4) . . ?
C37 C38 P3 171.4(5) . . ?
C40 C39 C44 120.5(5) . . ?
C40 C39 P3 124.2(4) . . ?
C44 C39 P3 115.2(4) . . ?
C41 C40 C39 119.0(5) . . ?
C41 C40 H40 120.5 . . ?
C39 C40 H40 120.5 . . ?
C42 C41 C40 121.0(5) . . ?
C42 C41 H41 119.5 . . ?
C40 C41 H41 119.5 . . ?
C41 C42 C43 120.0(6) . . ?
C41 C42 H42 120 . . ?
C43 C42 H42 120 . . ?
C44 C43 C42 120.3(6) . . ?
C44 C43 H43 119.8 . . ?
C42 C43 H43 119.8 . . ?
C43 C44 C39 119.3(5) . . ?
C43 C44 H44 120.3 . . ?
C39 C44 H44 120.3 . . ?
C50 C45 C46 118.8(5) . . ?
C50 C45 P3 120.4(4) . . ?
C46 C45 P3 120.5(4) . . ?
C47 C46 C45 120.1(5) . . ?
C47 C46 H46 119.9 . . ?
C45 C46 H46 119.9 . . ?
C48 C47 C46 121.1(6) . . ?
C48 C47 H47 119.4 . . ?
C46 C47 H47 119.4 . . ?
C47 C48 C49 119.0(6) . . ?
C47 C48 H48 120.5 . . ?
C49 C48 H48 120.5 . . ?
C48 C49 C50 120.1(6) . . ?
C48 C49 H49 119.9 . . ?
C50 C49 H49 119.9 . . ?
C45 C50 C49 120.7(6) . . ?
C45 C50 H50 119.6 . . ?
C49 C50 H50 119.6 . . ?
F41 P4 F43 89.6(2) . . ?
F41 P4 F44 178.9(3) . . ?
F43 P4 F44 91.2(2) . . ?
F41 P4 F45 90.2(3) . . ?
F43 P4 F45 89.8(2) . . ?
F44 P4 F45 89.1(2) . . ?
F41 P4 F42 90.5(2) . . ?
F43 P4 F42 90.5(2) . . ?
F44 P4 F42 90.2(2) . . ?
F45 P4 F42 179.3(2) . . ?
F41 P4 F46 90.2(2) . . ?
F43 P4 F46 179.8(3) . . ?
F44 P4 F46 88.9(2) . . ?
F45 P4 F46 90.4(2) . . ?
F42 P4 F46 89.3(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
Cl1 Pd1 Cl2 Pd1 178.07(6) . . . 2_566 ?
Cl2 Pd1 Cl2 Pd1 0 2_566 . . 2_566 ?
C37 Fe1 P1 C31 -32.1(2) . . . . ?
C1 Fe1 P1 C31 56.6(4) . . . . ?
C2 Fe1 P1 C31 145.0(3) . . . . ?
C5 Fe1 P1 C31 59.7(2) . . . . ?
C4 Fe1 P1 C31 94.1(2) . . . . ?
C3 Fe1 P1 C31 130.8(2) . . . . ?
P2 Fe1 P1 C31 -113.78(18) . . . . ?
C37 Fe1 P1 C25 -157.0(2) . . . . ?
C1 Fe1 P1 C25 -68.4(4) . . . . ?
C2 Fe1 P1 C25 20.1(3) . . . . ?
C5 Fe1 P1 C25 -65.3(2) . . . . ?
C4 Fe1 P1 C25 -30.9(2) . . . . ?
C3 Fe1 P1 C25 5.8(2) . . . . ?
P2 Fe1 P1 C25 121.2(2) . . . . ?
C37 Fe1 P1 C12 85.5(2) . . . . ?
C1 Fe1 P1 C12 174.1(4) . . . . ?
C2 Fe1 P1 C12 -97.4(3) . . . . ?
C5 Fe1 P1 C12 177.2(2) . . . . ?
C4 Fe1 P1 C12 -148.3(2) . . . . ?
C3 Fe1 P1 C12 -111.7(2) . . . . ?
P2 Fe1 P1 C12 3.76(18) . . . . ?
C37 Fe1 P2 C19 50.2(2) . . . . ?
C1 Fe1 P2 C19 -36.6(2) . . . . ?
C2 Fe1 P2 C19 -73.5(2) . . . . ?
C5 Fe1 P2 C19 -26.8(4) . . . . ?
C4 Fe1 P2 C19 -124.0(3) . . . . ?
C3 Fe1 P2 C19 -110.1(2) . . . . ?
P1 Fe1 P2 C19 138.98(18) . . . . ?
C37 Fe1 P2 C11 -67.5(2) . . . . ?
C1 Fe1 P2 C11 -154.3(2) . . . . ?
C2 Fe1 P2 C11 168.8(2) . . . . ?
C5 Fe1 P2 C11 -144.5(4) . . . . ?
C4 Fe1 P2 C11 118.3(3) . . . . ?
C3 Fe1 P2 C11 132.2(2) . . . . ?
P1 Fe1 P2 C11 21.25(18) . . . . ?
C37 Fe1 P2 C13 177.9(2) . . . . ?
C1 Fe1 P2 C13 91.0(3) . . . . ?
C2 Fe1 P2 C13 54.2(3) . . . . ?
C5 Fe1 P2 C13 100.9(4) . . . . ?
C4 Fe1 P2 C13 3.7(4) . . . . ?
C3 Fe1 P2 C13 17.5(3) . . . . ?
P1 Fe1 P2 C13 -93.4(2) . . . . ?
Cl1 Pd1 P3 C38 33.6(2) . . . . ?
Cl2 Pd1 P3 C38 -148.5(2) 2_566 . . . ?
Cl1 Pd1 P3 C45 -86.93(18) . . . . ?
Cl2 Pd1 P3 C45 90.99(18) 2_566 . . . ?
Cl1 Pd1 P3 C39 152.85(18) . . . . ?
Cl2 Pd1 P3 C39 -29.23(18) 2_566 . . . ?
C37 Fe1 C1 C5 92.5(3) . . . . ?
C2 Fe1 C1 C5 -117.0(4) . . . . ?
C4 Fe1 C1 C5 -37.5(3) . . . . ?
C3 Fe1 C1 C5 -79.8(3) . . . . ?
P1 Fe1 C1 C5 4.4(5) . . . . ?
P2 Fe1 C1 C5 173.6(2) . . . . ?
C37 Fe1 C1 C2 -150.5(3) . . . . ?
C5 Fe1 C1 C2 117.0(4) . . . . ?
C4 Fe1 C1 C2 79.5(3) . . . . ?
C3 Fe1 C1 C2 37.2(3) . . . . ?
P1 Fe1 C1 C2 121.4(4) . . . . ?
P2 Fe1 C1 C2 -69.4(3) . . . . ?
C37 Fe1 C1 C6 -27.9(4) . . . . ?
C2 Fe1 C1 C6 122.6(6) . . . . ?
C5 Fe1 C1 C6 -120.4(6) . . . . ?
C4 Fe1 C1 C6 -157.9(5) . . . . ?
C3 Fe1 C1 C6 159.8(5) . . . . ?
P1 Fe1 C1 C6 -116.0(4) . . . . ?
P2 Fe1 C1 C6 53.2(5) . . . . ?
C5 C1 C2 C3 0.8(6) . . . . ?
C6 C1 C2 C3 176.1(5) . . . . ?
Fe1 C1 C2 C3 -62.2(3) . . . . ?
C5 C1 C2 C7 -167.8(5) . . . . ?
C6 C1 C2 C7 7.5(8) . . . . ?
Fe1 C1 C2 C7 129.2(5) . . . . ?
C5 C1 C2 Fe1 63.0(3) . . . . ?
C6 C1 C2 Fe1 -121.7(5) . . . . ?
C37 Fe1 C2 C3 154.6(3) . . . . ?
C1 Fe1 C2 C3 117.9(4) . . . . ?
C5 Fe1 C2 C3 79.8(3) . . . . ?
C4 Fe1 C2 C3 36.9(3) . . . . ?
P1 Fe1 C2 C3 -21.9(5) . . . . ?
P2 Fe1 C2 C3 -119.5(3) . . . . ?
C37 Fe1 C2 C1 36.6(4) . . . . ?
C5 Fe1 C2 C1 -38.1(3) . . . . ?
C4 Fe1 C2 C1 -81.0(3) . . . . ?
C3 Fe1 C2 C1 -117.9(4) . . . . ?
P1 Fe1 C2 C1 -139.8(3) . . . . ?
P2 Fe1 C2 C1 122.6(3) . . . . ?
C37 Fe1 C2 C7 -84.1(6) . . . . ?
C1 Fe1 C2 C7 -120.7(6) . . . . ?
C5 Fe1 C2 C7 -158.9(6) . . . . ?
C4 Fe1 C2 C7 158.3(6) . . . . ?
C3 Fe1 C2 C7 121.3(7) . . . . ?
P1 Fe1 C2 C7 99.5(5) . . . . ?
P2 Fe1 C2 C7 1.9(5) . . . . ?
C1 C2 C3 C4 -0.3(6) . . . . ?
C7 C2 C3 C4 168.5(5) . . . . ?
Fe1 C2 C3 C4 -60.6(3) . . . . ?
C1 C2 C3 C8 -167.8(5) . . . . ?
C7 C2 C3 C8 1.0(8) . . . . ?
Fe1 C2 C3 C8 132.0(5) . . . . ?
C1 C2 C3 Fe1 60.2(3) . . . . ?
C7 C2 C3 Fe1 -131.0(5) . . . . ?
C37 Fe1 C3 C2 -56.6(5) . . . . ?
C1 Fe1 C3 C2 -38.1(3) . . . . ?
C5 Fe1 C3 C2 -81.4(3) . . . . ?
C4 Fe1 C3 C2 -118.8(4) . . . . ?
P1 Fe1 C3 C2 167.6(3) . . . . ?
P2 Fe1 C3 C2 71.7(3) . . . . ?
C37 Fe1 C3 C4 62.2(5) . . . . ?
C1 Fe1 C3 C4 80.6(3) . . . . ?
C2 Fe1 C3 C4 118.8(4) . . . . ?
C5 Fe1 C3 C4 37.3(3) . . . . ?
P1 Fe1 C3 C4 -73.7(3) . . . . ?
P2 Fe1 C3 C4 -169.5(2) . . . . ?
C37 Fe1 C3 C8 -177.4(4) . . . . ?
C1 Fe1 C3 C8 -159.0(5) . . . . ?
C2 Fe1 C3 C8 -120.9(6) . . . . ?
C5 Fe1 C3 C8 157.7(5) . . . . ?
C4 Fe1 C3 C8 120.4(6) . . . . ?
P1 Fe1 C3 C8 46.7(5) . . . . ?
P2 Fe1 C3 C8 -49.2(5) . . . . ?
C2 C3 C4 C5 -0.2(5) . . . . ?
C8 C3 C4 C5 167.4(5) . . . . ?
Fe1 C3 C4 C5 -59.8(3) . . . . ?
C2 C3 C4 C9 -170.7(5) . . . . ?
C8 C3 C4 C9 -3.1(8) . . . . ?
Fe1 C3 C4 C9 129.7(5) . . . . ?
C2 C3 C4 Fe1 59.6(3) . . . . ?
C8 C3 C4 Fe1 -132.8(5) . . . . ?
C37 Fe1 C4 C3 -152.3(3) . . . . ?
C1 Fe1 C4 C3 -80.8(3) . . . . ?
C2 Fe1 C4 C3 -37.1(3) . . . . ?
C5 Fe1 C4 C3 -118.7(4) . . . . ?
P1 Fe1 C4 C3 115.2(3) . . . . ?
P2 Fe1 C4 C3 20.6(5) . . . . ?
C37 Fe1 C4 C5 -33.7(3) . . . . ?
C1 Fe1 C4 C5 37.9(3) . . . . ?
C2 Fe1 C4 C5 81.6(3) . . . . ?
C3 Fe1 C4 C5 118.7(4) . . . . ?
P1 Fe1 C4 C5 -126.2(3) . . . . ?
P2 Fe1 C4 C5 139.2(3) . . . . ?
C37 Fe1 C4 C9 86.1(5) . . . . ?
C1 Fe1 C4 C9 157.7(6) . . . . ?
C2 Fe1 C4 C9 -158.6(6) . . . . ?
C5 Fe1 C4 C9 119.8(6) . . . . ?
C3 Fe1 C4 C9 -121.5(6) . . . . ?
P1 Fe1 C4 C9 -6.4(5) . . . . ?
P2 Fe1 C4 C9 -101.0(5) . . . . ?
C2 C1 C5 C4 -0.9(5) . . . . ?
C6 C1 C5 C4 -176.3(5) . . . . ?
Fe1 C1 C5 C4 61.9(3) . . . . ?
C2 C1 C5 C10 172.9(5) . . . . ?
C6 C1 C5 C10 -2.5(8) . . . . ?
Fe1 C1 C5 C10 -124.3(5) . . . . ?
C2 C1 C5 Fe1 -62.8(3) . . . . ?
C6 C1 C5 Fe1 121.8(5) . . . . ?
C3 C4 C5 C1 0.7(5) . . . . ?
C9 C4 C5 C1 171.2(4) . . . . ?
Fe1 C4 C5 C1 -60.1(3) . . . . ?
C3 C4 C5 C10 -173.2(5) . . . . ?
C9 C4 C5 C10 -2.6(8) . . . . ?
Fe1 C4 C5 C10 126.0(5) . . . . ?
C3 C4 C5 Fe1 60.8(3) . . . . ?
C9 C4 C5 Fe1 -128.7(5) . . . . ?
C37 Fe1 C5 C1 -88.7(3) . . . . ?
C2 Fe1 C5 C1 38.4(3) . . . . ?
C4 Fe1 C5 C1 117.9(4) . . . . ?
C3 Fe1 C5 C1 81.0(3) . . . . ?
P1 Fe1 C5 C1 -178.0(2) . . . . ?
P2 Fe1 C5 C1 -14.0(5) . . . . ?
C37 Fe1 C5 C4 153.4(3) . . . . ?
C1 Fe1 C5 C4 -117.9(4) . . . . ?
C2 Fe1 C5 C4 -79.4(3) . . . . ?
C3 Fe1 C5 C4 -36.9(3) . . . . ?
P1 Fe1 C5 C4 64.1(3) . . . . ?
P2 Fe1 C5 C4 -131.9(3) . . . . ?
C37 Fe1 C5 C10 31.8(5) . . . . ?
C1 Fe1 C5 C10 120.5(6) . . . . ?
C2 Fe1 C5 C10 158.9(6) . . . . ?
C4 Fe1 C5 C10 -121.6(6) . . . . ?
C3 Fe1 C5 C10 -158.5(6) . . . . ?
P1 Fe1 C5 C10 -57.5(5) . . . . ?
P2 Fe1 C5 C10 106.5(5) . . . . ?
C19 P2 C11 C12 -173.2(3) . . . . ?
C13 P2 C11 C12 80.9(4) . . . . ?
Fe1 P2 C11 C12 -48.5(3) . . . . ?
P2 C11 C12 P1 54.7(4) . . . . ?
C31 P1 C12 C11 89.1(4) . . . . ?
C25 P1 C12 C11 -162.4(3) . . . . ?
Fe1 P1 C12 C11 -35.2(4) . . . . ?
C19 P2 C13 C18 -36.6(5) . . . . ?
C11 P2 C13 C18 73.5(5) . . . . ?
Fe1 P2 C13 C18 -170.7(4) . . . . ?
C19 P2 C13 C14 146.8(4) . . . . ?
C11 P2 C13 C14 -103.1(5) . . . . ?
Fe1 P2 C13 C14 12.7(5) . . . . ?
C18 C13 C14 C15 -0.6(8) . . . . ?
P2 C13 C14 C15 176.0(4) . . . . ?
C13 C14 C15 C16 1.1(8) . . . . ?
C14 C15 C16 C17 -0.7(9) . . . . ?
C15 C16 C17 C18 -0.1(10) . . . . ?
C14 C13 C18 C17 -0.2(9) . . . . ?
P2 C13 C18 C17 -176.8(5) . . . . ?
C16 C17 C18 C13 0.5(10) . . . . ?
C11 P2 C19 C24 9.5(5) . . . . ?
C13 P2 C19 C24 115.5(4) . . . . ?
Fe1 P2 C19 C24 -106.8(4) . . . . ?
C11 P2 C19 C20 -170.8(4) . . . . ?
C13 P2 C19 C20 -64.7(5) . . . . ?
Fe1 P2 C19 C20 73.0(5) . . . . ?
C24 C19 C20 C21 1.5(9) . . . . ?
P2 C19 C20 C21 -178.2(5) . . . . ?
C19 C20 C21 C22 -0.4(10) . . . . ?
C20 C21 C22 C23 -1.4(10) . . . . ?
C21 C22 C23 C24 2.1(10) . . . . ?
C20 C19 C24 C23 -0.8(8) . . . . ?
P2 C19 C24 C23 179.0(5) . . . . ?
C22 C23 C24 C19 -1.0(10) . . . . ?
C31 P1 C25 C26 168.4(4) . . . . ?
C12 P1 C25 C26 57.9(5) . . . . ?
Fe1 P1 C25 C26 -60.5(5) . . . . ?
C31 P1 C25 C30 -16.3(5) . . . . ?
C12 P1 C25 C30 -126.9(4) . . . . ?
Fe1 P1 C25 C30 114.8(4) . . . . ?
C30 C25 C26 C27 -2.1(8) . . . . ?
P1 C25 C26 C27 173.3(4) . . . . ?
C25 C26 C27 C28 0.1(9) . . . . ?
C26 C27 C28 C29 2.2(9) . . . . ?
C27 C28 C29 C30 -2.4(10) . . . . ?
C26 C25 C30 C29 1.9(8) . . . . ?
P1 C25 C30 C29 -173.4(4) . . . . ?
C28 C29 C30 C25 0.3(9) . . . . ?
C25 P1 C31 C32 103.6(4) . . . . ?
C12 P1 C31 C32 -147.0(4) . . . . ?
Fe1 P1 C31 C32 -29.3(5) . . . . ?
C25 P1 C31 C36 -73.8(5) . . . . ?
C12 P1 C31 C36 35.5(5) . . . . ?
Fe1 P1 C31 C36 153.2(4) . . . . ?
C36 C31 C32 C33 -0.5(8) . . . . ?
P1 C31 C32 C33 -178.0(4) . . . . ?
C31 C32 C33 C34 -1.5(8) . . . . ?
C32 C33 C34 C35 1.8(9) . . . . ?
C33 C34 C35 C36 -0.2(9) . . . . ?
C34 C35 C36 C31 -1.8(9) . . . . ?
C32 C31 C36 C35 2.1(8) . . . . ?
P1 C31 C36 C35 179.6(4) . . . . ?
C38 P3 C39 C40 -111.5(4) . . . . ?
C45 P3 C39 C40 3.5(5) . . . . ?
Pd1 P3 C39 C40 121.9(4) . . . . ?
C38 P3 C39 C44 64.8(4) . . . . ?
C45 P3 C39 C44 179.8(4) . . . . ?
Pd1 P3 C39 C44 -61.8(4) . . . . ?
C44 C39 C40 C41 -1.3(7) . . . . ?
P3 C39 C40 C41 174.8(4) . . . . ?
C39 C40 C41 C42 0.1(8) . . . . ?
C40 C41 C42 C43 1.4(9) . . . . ?
C41 C42 C43 C44 -1.6(9) . . . . ?
C42 C43 C44 C39 0.4(8) . . . . ?
C40 C39 C44 C43 1.0(7) . . . . ?
P3 C39 C44 C43 -175.4(4) . . . . ?
C38 P3 C45 C50 -8.3(5) . . . . ?
C39 P3 C45 C50 -121.1(4) . . . . ?
Pd1 P3 C45 C50 118.1(4) . . . . ?
C38 P3 C45 C46 177.2(4) . . . . ?
C39 P3 C45 C46 64.3(5) . . . . ?
Pd1 P3 C45 C46 -56.4(5) . . . . ?
C50 C45 C46 C47 -0.2(8) . . . . ?
P3 C45 C46 C47 174.4(5) . . . . ?
C45 C46 C47 C48 -0.9(9) . . . . ?
C46 C47 C48 C49 1.1(10) . . . . ?
C47 C48 C49 C50 -0.2(10) . . . . ?
C46 C45 C50 C49 1.1(9) . . . . ?
P3 C45 C50 C49 -173.5(5) . . . . ?
C48 C49 C50 C45 -0.9(10) . . . . ?
_database_code_depnum_ccdc_archive 'CCDC 951977'
#===============================================================================
data_global
#===============================================================================
_audit_creation_date             2013/07/23

# 1. SUBMISSION DETAILS

_publ_contact_author_name        'Duncan Carmichael'
_publ_contact_author_address     
;Laboratoire DCPH
Ecole Polytechnique
Route de Saclay
F91128 Palaiseau
France
;
_publ_contact_author_email       duncan_carmichael@yahoo.co.uk
_publ_contact_author_phone       33016933415
_publ_contact_author_fax         330169334440

_publ_contact_letter             
;
     Please consider this CIF submission for publication as a new structure
     paper in Chemical Communication. The figures, chemical
     structure diagram (scheme), Transfert of Copyright Agreement form and
     structure factors will be sent on receipt of your acknowledgement letter
;
#===============================================================================

# 2. PROCESSING SUMMARY (IUCr Office Use Only)

_journal_date_recd_electronic    ?

_journal_date_to_coeditor        ?
_journal_date_from_coeditor      ?
_journal_date_accepted           ?

_journal_date_printers_first     ?
_journal_date_printers_final     ?
_journal_date_proofs_out         ?
_journal_date_proofs_in          ?


_journal_coeditor_name           ?
_journal_coeditor_code           ?
_journal_coeditor_notes          
; ?
;

_journal_techeditor_code         ?
_journal_techeditor_notes        
; ?
;

_journal_coden_ASTM              ?
_journal_name_full               ?
_journal_year                    ?
_journal_volume                  ?

_journal_issue                   ?
_journal_page_first              ?
_journal_page_last               ?

_journal_suppl_publ_number       ?
_journal_suppl_publ_pages        ?

#===============================================================================

# 3. TITLE AND AUTHOR LIST

_publ_section_title              
;
Redox- active phosphines: synthesis and crystal structures of palladium (II) 
complexes of metallaphosphines in two different oxidation states.
;
# The loop structure below should contain the names  and addresses of all
# authors, in the required order  of publication. Repeat as necessary.


loop_
_publ_author_name
;
Ayham TohmÃ a
Stephanie Labouille b 
Thierry Roisnel a 
Vincent Dorcet a  
Duncan Carmichael b 
FrÃdÃric Paul a
;
_publ_author_address             
;
a)
Institut des Sciences Chimiques de Rennes, 
CNRS (UMR 6226) UniversitÃ de Rennes 1, 
Campus de Beaulieu, 
F-35042 Rennes Cedex, 
France 
b)Laboratoire Heteroelements et Coordination, 
CNRS UMR 7653,
DCPH Ecole Polytechnique,
F-91128 Palaiseau Cedex
France
;

#===============================================================================
# 4. TEXT

_publ_section_abstract           
; ?
;

_publ_section_comment            
; 
;
_publ_section_exptl_prep         
;
;

_publ_section_references         
;
;


_publ_section_figure_captions    
; ?
;

_publ_section_acknowledgements   
; ?
;


#----------------------------------------------------------------------------#
#===END
#----------------------------------------------------------------------------#
data_sqz

_audit_creation_date             2010-12-08T17:43:53-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_publ_requested_category         FM

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C100 H98 Cl2 Fe2 P6 Pd'
_chemical_formula_sum            'C100 H98 Cl2 Fe2 P6 Pd'
_chemical_formula_weight         1774.6
_chemical_compound_source        'synthesis as described'

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.6954(4)
_cell_length_b                   13.6393(4)
_cell_length_c                   15.0485(5)
_cell_angle_alpha                90.312(2)
_cell_angle_beta                 94.918(2)
_cell_angle_gamma                112.192(2)
_cell_volume                     2401.81(13)
_cell_formula_units_Z            1
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    6690
_cell_measurement_theta_min      2.15
_cell_measurement_theta_max      26.88
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.05
_exptl_crystal_density_diffrn    1.227
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             920
_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    0.681
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
  [Sheldrick, G.M. (2002). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_absorpt_correction_T_min  0.788
_exptl_absorpt_correction_T_max  0.967


#----------------------------------------------------------------------------#
#                   SQUEEZE RESULTS                                          #
#----------------------------------------------------------------------------#

# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.033 0.486 0.528 7 1 ' '
2 0.500 1.000 1.000 395 54 ' '
3 0.954 0.519 0.462 5 0 ' '
_platon_squeeze_details          
;
;

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_measurement_device_type  'APEXII, Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_detector                 'CCD plate'
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_reflns_av_R_equivalents  0.0551
_diffrn_reflns_av_unetI/netI     0.066
_diffrn_reflns_number            34682
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_full        27.46
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_reflns_number_total             10944
_reflns_number_gt                8151
_reflns_threshold_expression     >2sigma(I)

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'Bruker SAINT (Bruker, 2002)'
_computing_cell_refinement       'Bruker SMART (Bruker, 2002)'
_computing_data_reduction        'Bruker SAINT (Bruker, 2002)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999))'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  
;
           WinGX publication routines (Farrugia, 1999),
           CRYSCAL (T. Roisnel, local program)
;

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0536P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         10944
_refine_ls_number_parameters     507
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0424
_refine_ls_wR_factor_ref         0.1168
_refine_ls_wR_factor_gt          0.1078
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_restrained_S_all      1.069
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.511
_refine_diff_density_min         -0.463
_refine_diff_density_rms         0.086

#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe1 Fe 0.16341(3) 0.26801(3) 0.79264(2) 0.01737(10) Uani 1 1 d . . .
P1 P 0.17466(6) 0.14798(5) 0.70097(4) 0.01907(16) Uani 1 1 d . . .
P2 P 0.01565(6) 0.25384(5) 0.69932(5) 0.01950(16) Uani 1 1 d . . .
C1 C 0.1084(2) 0.2203(2) 0.92369(17) 0.0224(6) Uani 1 1 d . . .
C2 C 0.1278(2) 0.3295(2) 0.91292(17) 0.0231(6) Uani 1 1 d . . .
C3 C 0.2446(2) 0.3844(2) 0.89758(17) 0.0250(6) Uani 1 1 d . . .
C4 C 0.2973(2) 0.3085(2) 0.89585(18) 0.0257(6) Uani 1 1 d . . .
C5 C 0.2130(2) 0.2075(2) 0.91277(18) 0.0249(6) Uani 1 1 d . . .
C6 C 0.0065(3) 0.1419(2) 0.96271(19) 0.0314(7) Uani 1 1 d . . .
H6A H 0.0094 0.1602 1.0262 0.047 Uiso 1 1 calc R . .
H6B H 0.0071 0.0706 0.9561 0.047 Uiso 1 1 calc R . .
H6C H -0.0637 0.1436 0.9313 0.047 Uiso 1 1 calc R . .
C7 C 0.0454(3) 0.3808(3) 0.9332(2) 0.0373(8) Uani 1 1 d . . .
H7A H -0.0299 0.3407 0.9019 0.056 Uiso 1 1 calc R . .
H7B H 0.0735 0.4538 0.9133 0.056 Uiso 1 1 calc R . .
H7C H 0.0391 0.3813 0.9977 0.056 Uiso 1 1 calc R . .
C8 C 0.3060(3) 0.5026(2) 0.8945(2) 0.0375(8) Uani 1 1 d . . .
H8A H 0.3384 0.532 0.9548 0.056 Uiso 1 1 calc R . .
H8B H 0.252 0.5343 0.8716 0.056 Uiso 1 1 calc R . .
H8C H 0.3675 0.5183 0.8552 0.056 Uiso 1 1 calc R . .
C9 C 0.4213(3) 0.3328(3) 0.8872(2) 0.0371(8) Uani 1 1 d . . .
H9A H 0.451 0.3932 0.8488 0.056 Uiso 1 1 calc R . .
H9B H 0.43 0.2709 0.8607 0.056 Uiso 1 1 calc R . .
H9C H 0.4639 0.3504 0.9463 0.056 Uiso 1 1 calc R . .
C10 C 0.2365(3) 0.1095(2) 0.9328(2) 0.0351(7) Uani 1 1 d . . .
H10A H 0.2505 0.1056 0.9975 0.053 Uiso 1 1 calc R . .
H10B H 0.3039 0.1121 0.9042 0.053 Uiso 1 1 calc R . .
H10C H 0.1704 0.0468 0.9099 0.053 Uiso 1 1 calc R . .
C11 C 0.1268(2) 0.1714(2) 0.58504(17) 0.0236(6) Uani 1 1 d . . .
H11A H 0.1944 0.2066 0.5519 0.028 Uiso 1 1 calc R . .
H11B H 0.0803 0.1026 0.5537 0.028 Uiso 1 1 calc R . .
C12 C 0.0557(2) 0.2411(2) 0.58632(17) 0.0219(6) Uani 1 1 d . . .
H12A H -0.0142 0.2094 0.5447 0.026 Uiso 1 1 calc R . .
H12B H 0.1006 0.3123 0.5657 0.026 Uiso 1 1 calc R . .
C13 C 0.3153(2) 0.1422(2) 0.69036(18) 0.0229(6) Uani 1 1 d . . .
C14 C 0.3963(2) 0.2225(2) 0.64686(19) 0.0261(6) Uani 1 1 d . . .
H14 H 0.3762 0.2763 0.6194 0.031 Uiso 1 1 calc R . .
C15 C 0.5055(3) 0.2241(2) 0.6435(2) 0.0339(7) Uani 1 1 d . . .
H15 H 0.56 0.2794 0.6142 0.041 Uiso 1 1 calc R . .
C16 C 0.5355(3) 0.1461(3) 0.6821(2) 0.0411(8) Uani 1 1 d . . .
H16 H 0.6105 0.1472 0.6795 0.049 Uiso 1 1 calc R . .
C17 C 0.4564(3) 0.0662(3) 0.7248(2) 0.0418(8) Uani 1 1 d . . .
H17 H 0.477 0.0121 0.7512 0.05 Uiso 1 1 calc R . .
C18 C 0.3474(3) 0.0643(2) 0.7293(2) 0.0310(7) Uani 1 1 d . . .
H18 H 0.2938 0.0091 0.7593 0.037 Uiso 1 1 calc R . .
C19 C 0.0830(2) 0.0072(2) 0.71199(18) 0.0220(6) Uani 1 1 d . . .
C20 C 0.0782(3) -0.0728(2) 0.65150(19) 0.0290(7) Uani 1 1 d . . .
H20 H 0.1299 -0.0571 0.6067 0.035 Uiso 1 1 calc R . .
C21 C -0.0020(3) -0.1755(2) 0.6565(2) 0.0343(7) Uani 1 1 d . . .
H21 H -0.0059 -0.229 0.6143 0.041 Uiso 1 1 calc R . .
C22 C -0.0762(3) -0.1998(2) 0.7227(2) 0.0336(7) Uani 1 1 d . . .
H22 H -0.1306 -0.2699 0.726 0.04 Uiso 1 1 calc R . .
C23 C -0.0710(3) -0.1220(2) 0.78396(19) 0.0287(7) Uani 1 1 d . . .
H23 H -0.1207 -0.1388 0.8302 0.034 Uiso 1 1 calc R . .
C24 C 0.0072(2) -0.0191(2) 0.77783(18) 0.0239(6) Uani 1 1 d . . .
H24 H 0.009 0.0344 0.8193 0.029 Uiso 1 1 calc R . .
C25 C -0.1183(2) 0.1381(2) 0.70375(19) 0.0236(6) Uani 1 1 d . . .
C26 C -0.1563(3) 0.0529(2) 0.6413(2) 0.0318(7) Uani 1 1 d . . .
H26 H -0.1167 0.0571 0.5898 0.038 Uiso 1 1 calc R . .
C27 C -0.2511(3) -0.0377(2) 0.6533(2) 0.0390(8) Uani 1 1 d . . .
H27 H -0.2759 -0.0947 0.6101 0.047 Uiso 1 1 calc R . .
C28 C -0.3092(3) -0.0454(2) 0.7276(2) 0.0409(8) Uani 1 1 d . . .
H28 H -0.373 -0.1082 0.7363 0.049 Uiso 1 1 calc R . .
C29 C -0.2746(3) 0.0388(2) 0.7900(2) 0.0361(8) Uani 1 1 d . . .
H29 H -0.3152 0.0339 0.841 0.043 Uiso 1 1 calc R . .
C30 C -0.1811(2) 0.1295(2) 0.7777(2) 0.0289(7) Uani 1 1 d . . .
H30 H -0.1588 0.1872 0.8201 0.035 Uiso 1 1 calc R . .
C31 C -0.0377(2) 0.3610(2) 0.68467(18) 0.0231(6) Uani 1 1 d . . .
C32 C -0.1402(3) 0.3441(2) 0.6327(2) 0.0311(7) Uani 1 1 d . . .
H32 H -0.1861 0.2751 0.6086 0.037 Uiso 1 1 calc R . .
C33 C -0.1754(3) 0.4280(2) 0.6160(2) 0.0355(7) Uani 1 1 d . . .
H33 H -0.2446 0.4161 0.58 0.043 Uiso 1 1 calc R . .
C34 C -0.1105(3) 0.5276(2) 0.6513(2) 0.0372(8) Uani 1 1 d . . .
H34 H -0.1349 0.5845 0.6397 0.045 Uiso 1 1 calc R . .
C35 C -0.0095(3) 0.5454(2) 0.7040(2) 0.0360(8) Uani 1 1 d . . .
H35 H 0.0346 0.6143 0.7292 0.043 Uiso 1 1 calc R . .
C36 C 0.0279(2) 0.4621(2) 0.7201(2) 0.0281(7) Uani 1 1 d . . .
H36 H 0.098 0.4748 0.7552 0.034 Uiso 1 1 calc R . .
C37 C 0.2546(2) 0.3684(2) 0.71837(17) 0.0173(5) Uani 1 1 d . . .
C38 C 0.3201(2) 0.4383(2) 0.67636(17) 0.0206(6) Uani 1 1 d . . .
P4 P 0.43409(6) 0.53524(5) 0.63216(4) 0.01898(16) Uani 1 1 d . . .
C41 C 0.3922(3) 0.6486(2) 0.61287(18) 0.0247(6) Uani 1 1 d . . .
C42 C 0.2794(3) 0.6383(3) 0.6185(2) 0.0391(8) Uani 1 1 d . . .
H42 H 0.2241 0.5732 0.6347 0.047 Uiso 1 1 calc R . .
C43 C 0.2489(3) 0.7250(3) 0.6000(3) 0.0523(10) Uani 1 1 d . . .
H43 H 0.172 0.7181 0.6031 0.063 Uiso 1 1 calc R . .
C44 C 0.3283(3) 0.8196(3) 0.5774(2) 0.0444(9) Uani 1 1 d . . .
H44 H 0.3069 0.8784 0.5663 0.053 Uiso 1 1 calc R . .
C45 C 0.4392(3) 0.8292(2) 0.5709(2) 0.0412(8) Uani 1 1 d . . .
H45 H 0.4943 0.8946 0.5549 0.049 Uiso 1 1 calc R . .
C46 C 0.4709(3) 0.7438(2) 0.5877(2) 0.0344(7) Uani 1 1 d . . .
H46 H 0.5473 0.7506 0.5818 0.041 Uiso 1 1 calc R . .
C47 C 0.5453(2) 0.5775(2) 0.72619(18) 0.0245(6) Uani 1 1 d . . .
C48 C 0.5560(3) 0.6582(2) 0.78738(19) 0.0342(7) Uani 1 1 d . . .
H48 H 0.5072 0.6964 0.7794 0.041 Uiso 1 1 calc R . .
C49 C 0.6379(3) 0.6831(3) 0.8601(2) 0.0516(10) Uani 1 1 d . . .
H49 H 0.6451 0.7386 0.9015 0.062 Uiso 1 1 calc R . .
C50 C 0.7088(3) 0.6278(3) 0.8726(2) 0.0532(11) Uani 1 1 d . . .
H50 H 0.7647 0.6454 0.9225 0.064 Uiso 1 1 calc R . .
C51 C 0.6990(3) 0.5463(3) 0.8123(2) 0.0473(9) Uani 1 1 d . . .
H51 H 0.747 0.5073 0.8213 0.057 Uiso 1 1 calc R . .
C52 C 0.6174(3) 0.5226(3) 0.7382(2) 0.0351(7) Uani 1 1 d . . .
H52 H 0.6115 0.4684 0.6958 0.042 Uiso 1 1 calc R . .
Pd1 Pd 0.5 0.5 0.5 0.01716(8) Uani 1 2 d S . .
Cl1 Cl 0.31994(6) 0.37421(5) 0.45856(4) 0.02536(16) Uani 1 1 d . . .





#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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
Fe1 C37 1.872(3) . ?
Fe1 C4 2.106(3) . ?
Fe1 C3 2.129(3) . ?
Fe1 C5 2.135(3) . ?
Fe1 C2 2.143(2) . ?
Fe1 C1 2.169(3) . ?
Fe1 P1 2.1885(7) . ?
Fe1 P2 2.1908(8) . ?
P1 C13 1.837(3) . ?
P1 C19 1.848(3) . ?
P1 C11 1.867(3) . ?
P2 C31 1.835(3) . ?
P2 C25 1.839(3) . ?
P2 C12 1.842(3) . ?
C1 C5 1.426(4) . ?
C1 C2 1.427(4) . ?
C1 C6 1.502(4) . ?
C2 C3 1.426(4) . ?
C2 C7 1.511(4) . ?
C3 C4 1.431(4) . ?
C3 C8 1.505(4) . ?
C4 C5 1.429(4) . ?
C4 C9 1.499(4) . ?
C5 C10 1.503(4) . ?
C6 H6A 0.98 . ?
C6 H6B 0.98 . ?
C6 H6C 0.98 . ?
C7 H7A 0.98 . ?
C7 H7B 0.98 . ?
C7 H7C 0.98 . ?
C8 H8A 0.98 . ?
C8 H8B 0.98 . ?
C8 H8C 0.98 . ?
C9 H9A 0.98 . ?
C9 H9B 0.98 . ?
C9 H9C 0.98 . ?
C10 H10A 0.98 . ?
C10 H10B 0.98 . ?
C10 H10C 0.98 . ?
C11 C12 1.540(4) . ?
C11 H11A 0.99 . ?
C11 H11B 0.99 . ?
C12 H12A 0.99 . ?
C12 H12B 0.99 . ?
C13 C18 1.390(4) . ?
C13 C14 1.399(4) . ?
C14 C15 1.384(4) . ?
C14 H14 0.95 . ?
C15 C16 1.375(4) . ?
C15 H15 0.95 . ?
C16 C17 1.378(5) . ?
C16 H16 0.95 . ?
C17 C18 1.382(4) . ?
C17 H17 0.95 . ?
C18 H18 0.95 . ?
C19 C24 1.394(4) . ?
C19 C20 1.397(4) . ?
C20 C21 1.393(4) . ?
C20 H20 0.95 . ?
C21 C22 1.385(4) . ?
C21 H21 0.95 . ?
C22 C23 1.380(4) . ?
C22 H22 0.95 . ?
C23 C24 1.388(4) . ?
C23 H23 0.95 . ?
C24 H24 0.95 . ?
C25 C26 1.398(4) . ?
C25 C30 1.404(4) . ?
C26 C27 1.387(4) . ?
C26 H26 0.95 . ?
C27 C28 1.375(5) . ?
C27 H27 0.95 . ?
C28 C29 1.388(5) . ?
C28 H28 0.95 . ?
C29 C30 1.380(4) . ?
C29 H29 0.95 . ?
C30 H30 0.95 . ?
C31 C36 1.389(4) . ?
C31 C32 1.398(4) . ?
C32 C33 1.393(4) . ?
C32 H32 0.95 . ?
C33 C34 1.371(4) . ?
C33 H33 0.95 . ?
C34 C35 1.387(4) . ?
C34 H34 0.95 . ?
C35 C36 1.402(4) . ?
C35 H35 0.95 . ?
C36 H36 0.95 . ?
C37 C38 1.224(4) . ?
C38 P4 1.736(3) . ?
P4 C41 1.832(3) . ?
P4 C47 1.834(3) . ?
P4 Pd1 2.3378(6) . ?
C41 C46 1.385(4) . ?
C41 C42 1.395(4) . ?
C42 C43 1.399(4) . ?
C42 H42 0.95 . ?
C43 C44 1.371(5) . ?
C43 H43 0.95 . ?
C44 C45 1.376(5) . ?
C44 H44 0.95 . ?
C45 C46 1.387(4) . ?
C45 H45 0.95 . ?
C46 H46 0.95 . ?
C47 C52 1.386(4) . ?
C47 C48 1.391(4) . ?
C48 C49 1.389(5) . ?
C48 H48 0.95 . ?
C49 C50 1.378(5) . ?
C49 H49 0.95 . ?
C50 C51 1.392(5) . ?
C50 H50 0.95 . ?
C51 C52 1.403(4) . ?
C51 H51 0.95 . ?
C52 H52 0.95 . ?
Pd1 Cl1 2.3106(7) 2_666 ?
Pd1 Cl1 2.3106(7) . ?
Pd1 P4 2.3378(6) 2_666 ?


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
C37 Fe1 C4 91.93(11) . . ?
C37 Fe1 C3 85.47(11) . . ?
C4 Fe1 C3 39.48(11) . . ?
C37 Fe1 C5 129.15(11) . . ?
C4 Fe1 C5 39.39(11) . . ?
C3 Fe1 C5 65.52(11) . . ?
C37 Fe1 C2 116.03(10) . . ?
C4 Fe1 C2 65.85(11) . . ?
C3 Fe1 C2 38.98(10) . . ?
C5 Fe1 C2 65.09(10) . . ?
C37 Fe1 C1 150.59(11) . . ?
C4 Fe1 C1 65.62(11) . . ?
C3 Fe1 C1 65.12(10) . . ?
C5 Fe1 C1 38.68(10) . . ?
C2 Fe1 C1 38.65(10) . . ?
C37 Fe1 P1 86.40(7) . . ?
C4 Fe1 P1 110.09(8) . . ?
C3 Fe1 P1 147.97(8) . . ?
C5 Fe1 P1 96.85(7) . . ?
C2 Fe1 P1 156.84(8) . . ?
C1 Fe1 P1 118.23(7) . . ?
C37 Fe1 P2 87.79(8) . . ?
C4 Fe1 P2 167.27(8) . . ?
C3 Fe1 P2 127.89(8) . . ?
C5 Fe1 P2 143.03(8) . . ?
C2 Fe1 P2 102.92(8) . . ?
C1 Fe1 P2 109.88(8) . . ?
P1 Fe1 P2 82.60(3) . . ?
C13 P1 C19 102.52(12) . . ?
C13 P1 C11 103.58(12) . . ?
C19 P1 C11 101.35(13) . . ?
C13 P1 Fe1 118.58(9) . . ?
C19 P1 Fe1 119.31(9) . . ?
C11 P1 Fe1 109.17(9) . . ?
C31 P2 C25 101.35(12) . . ?
C31 P2 C12 100.65(12) . . ?
C25 P2 C12 103.29(13) . . ?
C31 P2 Fe1 122.80(10) . . ?
C25 P2 Fe1 119.00(9) . . ?
C12 P2 Fe1 106.79(9) . . ?
C5 C1 C2 107.6(2) . . ?
C5 C1 C6 126.1(3) . . ?
C2 C1 C6 124.5(2) . . ?
C5 C1 Fe1 69.36(15) . . ?
C2 C1 Fe1 69.69(14) . . ?
C6 C1 Fe1 138.1(2) . . ?
C3 C2 C1 108.4(2) . . ?
C3 C2 C7 125.6(3) . . ?
C1 C2 C7 125.0(3) . . ?
C3 C2 Fe1 69.98(14) . . ?
C1 C2 Fe1 71.67(14) . . ?
C7 C2 Fe1 133.5(2) . . ?
C2 C3 C4 107.9(2) . . ?
C2 C3 C8 126.4(3) . . ?
C4 C3 C8 125.3(3) . . ?
C2 C3 Fe1 71.04(15) . . ?
C4 C3 Fe1 69.38(15) . . ?
C8 C3 Fe1 130.5(2) . . ?
C5 C4 C3 107.6(2) . . ?
C5 C4 C9 126.3(3) . . ?
C3 C4 C9 125.8(3) . . ?
C5 C4 Fe1 71.41(16) . . ?
C3 C4 Fe1 71.15(16) . . ?
C9 C4 Fe1 127.49(19) . . ?
C1 C5 C4 108.5(2) . . ?
C1 C5 C10 125.3(3) . . ?
C4 C5 C10 125.3(3) . . ?
C1 C5 Fe1 71.96(16) . . ?
C4 C5 Fe1 69.21(16) . . ?
C10 C5 Fe1 133.3(2) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 P1 110.78(17) . . ?
C12 C11 H11A 109.5 . . ?
P1 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
P1 C11 H11B 109.5 . . ?
H11A C11 H11B 108.1 . . ?
C11 C12 P2 111.13(18) . . ?
C11 C12 H12A 109.4 . . ?
P2 C12 H12A 109.4 . . ?
C11 C12 H12B 109.4 . . ?
P2 C12 H12B 109.4 . . ?
H12A C12 H12B 108 . . ?
C18 C13 C14 118.2(3) . . ?
C18 C13 P1 122.2(2) . . ?
C14 C13 P1 119.4(2) . . ?
C15 C14 C13 120.6(3) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C16 C15 C14 120.3(3) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C15 C16 C17 119.7(3) . . ?
C15 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
C16 C17 C18 120.4(3) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
C17 C18 C13 120.7(3) . . ?
C17 C18 H18 119.7 . . ?
C13 C18 H18 119.7 . . ?
C24 C19 C20 118.2(2) . . ?
C24 C19 P1 118.79(19) . . ?
C20 C19 P1 122.6(2) . . ?
C21 C20 C19 120.4(3) . . ?
C21 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C22 C21 C20 120.3(3) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C23 C22 C21 120.0(3) . . ?
C23 C22 H22 120 . . ?
C21 C22 H22 120 . . ?
C22 C23 C24 119.8(3) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
C23 C24 C19 121.3(2) . . ?
C23 C24 H24 119.4 . . ?
C19 C24 H24 119.4 . . ?
C26 C25 C30 117.6(3) . . ?
C26 C25 P2 123.4(2) . . ?
C30 C25 P2 118.7(2) . . ?
C27 C26 C25 121.0(3) . . ?
C27 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?
C28 C27 C26 120.3(3) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C27 C28 C29 119.9(3) . . ?
C27 C28 H28 120 . . ?
C29 C28 H28 120 . . ?
C30 C29 C28 119.9(3) . . ?
C30 C29 H29 120 . . ?
C28 C29 H29 120 . . ?
C29 C30 C25 121.2(3) . . ?
C29 C30 H30 119.4 . . ?
C25 C30 H30 119.4 . . ?
C36 C31 C32 119.2(3) . . ?
C36 C31 P2 119.9(2) . . ?
C32 C31 P2 120.8(2) . . ?
C33 C32 C31 120.4(3) . . ?
C33 C32 H32 119.8 . . ?
C31 C32 H32 119.8 . . ?
C34 C33 C32 120.3(3) . . ?
C34 C33 H33 119.8 . . ?
C32 C33 H33 119.8 . . ?
C33 C34 C35 120.1(3) . . ?
C33 C34 H34 120 . . ?
C35 C34 H34 120 . . ?
C34 C35 C36 120.2(3) . . ?
C34 C35 H35 119.9 . . ?
C36 C35 H35 119.9 . . ?
C31 C36 C35 119.9(3) . . ?
C31 C36 H36 120.1 . . ?
C35 C36 H36 120.1 . . ?
C38 C37 Fe1 174.4(2) . . ?
C37 C38 P4 168.5(3) . . ?
C38 P4 C41 106.47(13) . . ?
C38 P4 C47 103.45(13) . . ?
C41 P4 C47 105.39(13) . . ?
C38 P4 Pd1 120.34(9) . . ?
C41 P4 Pd1 106.97(9) . . ?
C47 P4 Pd1 113.16(9) . . ?
C46 C41 C42 119.3(3) . . ?
C46 C41 P4 120.2(2) . . ?
C42 C41 P4 120.4(2) . . ?
C41 C42 C43 119.2(3) . . ?
C41 C42 H42 120.4 . . ?
C43 C42 H42 120.4 . . ?
C44 C43 C42 120.9(3) . . ?
C44 C43 H43 119.5 . . ?
C42 C43 H43 119.5 . . ?
C43 C44 C45 119.8(3) . . ?
C43 C44 H44 120.1 . . ?
C45 C44 H44 120.1 . . ?
C44 C45 C46 120.3(3) . . ?
C44 C45 H45 119.9 . . ?
C46 C45 H45 119.9 . . ?
C41 C46 C45 120.5(3) . . ?
C41 C46 H46 119.7 . . ?
C45 C46 H46 119.7 . . ?
C52 C47 C48 119.5(3) . . ?
C52 C47 P4 117.9(2) . . ?
C48 C47 P4 122.6(2) . . ?
C49 C48 C47 120.1(3) . . ?
C49 C48 H48 120 . . ?
C47 C48 H48 120 . . ?
C50 C49 C48 120.5(3) . . ?
C50 C49 H49 119.8 . . ?
C48 C49 H49 119.8 . . ?
C49 C50 C51 120.3(3) . . ?
C49 C50 H50 119.9 . . ?
C51 C50 H50 119.9 . . ?
C50 C51 C52 119.1(4) . . ?
C50 C51 H51 120.5 . . ?
C52 C51 H51 120.5 . . ?
C47 C52 C51 120.6(3) . . ?
C47 C52 H52 119.7 . . ?
C51 C52 H52 119.7 . . ?
Cl1 Pd1 Cl1 179.9990(10) 2_666 . ?
Cl1 Pd1 P4 90.91(2) 2_666 . ?
Cl1 Pd1 P4 89.09(2) . . ?
Cl1 Pd1 P4 89.09(2) 2_666 2_666 ?
Cl1 Pd1 P4 90.91(2) . 2_666 ?
P4 Pd1 P4 180 . 2_666 ?


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
C37 Fe1 P1 C13 63.76(13) . . . . ?
C4 Fe1 P1 C13 -26.97(14) . . . . ?
C3 Fe1 P1 C13 -11.77(19) . . . . ?
C5 Fe1 P1 C13 -65.26(13) . . . . ?
C2 Fe1 P1 C13 -102.3(2) . . . . ?
C1 Fe1 P1 C13 -99.36(13) . . . . ?
P2 Fe1 P1 C13 152.00(11) . . . . ?
C37 Fe1 P1 C19 -170.16(13) . . . . ?
C4 Fe1 P1 C19 99.10(13) . . . . ?
C3 Fe1 P1 C19 114.31(18) . . . . ?
C5 Fe1 P1 C19 60.82(13) . . . . ?
C2 Fe1 P1 C19 23.7(2) . . . . ?
C1 Fe1 P1 C19 26.71(14) . . . . ?
P2 Fe1 P1 C19 -81.92(11) . . . . ?
C37 Fe1 P1 C11 -54.44(12) . . . . ?
C4 Fe1 P1 C11 -145.17(13) . . . . ?
C3 Fe1 P1 C11 -129.97(17) . . . . ?
C5 Fe1 P1 C11 176.54(12) . . . . ?
C2 Fe1 P1 C11 139.5(2) . . . . ?
C1 Fe1 P1 C11 142.44(13) . . . . ?
P2 Fe1 P1 C11 33.80(10) . . . . ?
C37 Fe1 P2 C31 -68.22(13) . . . . ?
C4 Fe1 P2 C31 20.8(4) . . . . ?
C3 Fe1 P2 C31 14.30(14) . . . . ?
C5 Fe1 P2 C31 113.56(16) . . . . ?
C2 Fe1 P2 C31 48.00(13) . . . . ?
C1 Fe1 P2 C31 87.72(13) . . . . ?
P1 Fe1 P2 C31 -154.87(11) . . . . ?
C37 Fe1 P2 C25 163.10(12) . . . . ?
C4 Fe1 P2 C25 -107.9(4) . . . . ?
C3 Fe1 P2 C25 -114.38(14) . . . . ?
C5 Fe1 P2 C25 -15.13(16) . . . . ?
C2 Fe1 P2 C25 -80.69(12) . . . . ?
C1 Fe1 P2 C25 -40.96(12) . . . . ?
P1 Fe1 P2 C25 76.45(10) . . . . ?
C37 Fe1 P2 C12 46.87(11) . . . . ?
C4 Fe1 P2 C12 135.9(4) . . . . ?
C3 Fe1 P2 C12 129.39(13) . . . . ?
C5 Fe1 P2 C12 -131.35(15) . . . . ?
C2 Fe1 P2 C12 163.08(12) . . . . ?
C1 Fe1 P2 C12 -157.19(12) . . . . ?
P1 Fe1 P2 C12 -39.78(9) . . . . ?
C37 Fe1 C1 C5 -80.9(3) . . . . ?
C4 Fe1 C1 C5 -37.66(16) . . . . ?
C3 Fe1 C1 C5 -81.28(17) . . . . ?
C2 Fe1 C1 C5 -118.9(2) . . . . ?
P1 Fe1 C1 C5 62.98(17) . . . . ?
P2 Fe1 C1 C5 155.20(14) . . . . ?
C37 Fe1 C1 C2 38.0(3) . . . . ?
C4 Fe1 C1 C2 81.23(18) . . . . ?
C3 Fe1 C1 C2 37.61(16) . . . . ?
C5 Fe1 C1 C2 118.9(2) . . . . ?
P1 Fe1 C1 C2 -178.13(14) . . . . ?
P2 Fe1 C1 C2 -85.91(16) . . . . ?
C37 Fe1 C1 C6 157.5(3) . . . . ?
C4 Fe1 C1 C6 -159.2(3) . . . . ?
C3 Fe1 C1 C6 157.1(3) . . . . ?
C5 Fe1 C1 C6 -121.6(4) . . . . ?
C2 Fe1 C1 C6 119.5(4) . . . . ?
P1 Fe1 C1 C6 -58.6(3) . . . . ?
P2 Fe1 C1 C6 33.6(3) . . . . ?
C5 C1 C2 C3 -1.4(3) . . . . ?
C6 C1 C2 C3 164.3(3) . . . . ?
Fe1 C1 C2 C3 -60.64(18) . . . . ?
C5 C1 C2 C7 -170.0(3) . . . . ?
C6 C1 C2 C7 -4.3(4) . . . . ?
Fe1 C1 C2 C7 130.8(3) . . . . ?
C5 C1 C2 Fe1 59.25(18) . . . . ?
C6 C1 C2 Fe1 -135.1(3) . . . . ?
C37 Fe1 C2 C3 -42.0(2) . . . . ?
C4 Fe1 C2 C3 37.75(17) . . . . ?
C5 Fe1 C2 C3 81.23(18) . . . . ?
C1 Fe1 C2 C3 118.3(2) . . . . ?
P1 Fe1 C2 C3 122.5(2) . . . . ?
P2 Fe1 C2 C3 -135.90(15) . . . . ?
C37 Fe1 C2 C1 -160.33(16) . . . . ?
C4 Fe1 C2 C1 -80.58(18) . . . . ?
C3 Fe1 C2 C1 -118.3(2) . . . . ?
C5 Fe1 C2 C1 -37.10(16) . . . . ?
P1 Fe1 C2 C1 4.2(3) . . . . ?
P2 Fe1 C2 C1 105.76(15) . . . . ?
C37 Fe1 C2 C7 78.5(3) . . . . ?
C4 Fe1 C2 C7 158.3(3) . . . . ?
C3 Fe1 C2 C7 120.5(4) . . . . ?
C5 Fe1 C2 C7 -158.3(3) . . . . ?
C1 Fe1 C2 C7 -121.2(4) . . . . ?
P1 Fe1 C2 C7 -117.0(3) . . . . ?
P2 Fe1 C2 C7 -15.4(3) . . . . ?
C1 C2 C3 C4 1.9(3) . . . . ?
C7 C2 C3 C4 170.4(3) . . . . ?
Fe1 C2 C3 C4 -59.82(18) . . . . ?
C1 C2 C3 C8 -171.5(3) . . . . ?
C7 C2 C3 C8 -3.0(4) . . . . ?
Fe1 C2 C3 C8 126.8(3) . . . . ?
C1 C2 C3 Fe1 61.70(18) . . . . ?
C7 C2 C3 Fe1 -129.8(3) . . . . ?
C37 Fe1 C3 C2 142.91(18) . . . . ?
C4 Fe1 C3 C2 -118.5(2) . . . . ?
C5 Fe1 C3 C2 -80.03(17) . . . . ?
C1 Fe1 C3 C2 -37.29(16) . . . . ?
P1 Fe1 C3 C2 -141.30(15) . . . . ?
P2 Fe1 C3 C2 59.26(18) . . . . ?
C37 Fe1 C3 C4 -98.59(17) . . . . ?
C5 Fe1 C3 C4 38.47(16) . . . . ?
C2 Fe1 C3 C4 118.5(2) . . . . ?
C1 Fe1 C3 C4 81.21(17) . . . . ?
P1 Fe1 C3 C4 -22.8(2) . . . . ?
P2 Fe1 C3 C4 177.76(13) . . . . ?
C37 Fe1 C3 C8 20.8(3) . . . . ?
C4 Fe1 C3 C8 119.4(3) . . . . ?
C5 Fe1 C3 C8 157.8(3) . . . . ?
C2 Fe1 C3 C8 -122.1(4) . . . . ?
C1 Fe1 C3 C8 -159.4(3) . . . . ?
P1 Fe1 C3 C8 96.6(3) . . . . ?
P2 Fe1 C3 C8 -62.9(3) . . . . ?
C2 C3 C4 C5 -1.6(3) . . . . ?
C8 C3 C4 C5 171.8(3) . . . . ?
Fe1 C3 C4 C5 -62.51(19) . . . . ?
C2 C3 C4 C9 -176.0(3) . . . . ?
C8 C3 C4 C9 -2.5(4) . . . . ?
Fe1 C3 C4 C9 123.1(3) . . . . ?
C2 C3 C4 Fe1 60.87(18) . . . . ?
C8 C3 C4 Fe1 -125.7(3) . . . . ?
C37 Fe1 C4 C5 -162.67(16) . . . . ?
C3 Fe1 C4 C5 116.8(2) . . . . ?
C2 Fe1 C4 C5 79.55(16) . . . . ?
C1 Fe1 C4 C5 36.99(15) . . . . ?
P1 Fe1 C4 C5 -75.79(15) . . . . ?
P2 Fe1 C4 C5 108.8(4) . . . . ?
C37 Fe1 C4 C3 80.49(16) . . . . ?
C5 Fe1 C4 C3 -116.8(2) . . . . ?
C2 Fe1 C4 C3 -37.29(15) . . . . ?
C1 Fe1 C4 C3 -79.85(16) . . . . ?
P1 Fe1 C4 C3 167.36(14) . . . . ?
P2 Fe1 C4 C3 -8.0(5) . . . . ?
C37 Fe1 C4 C9 -40.7(3) . . . . ?
C3 Fe1 C4 C9 -121.2(3) . . . . ?
C5 Fe1 C4 C9 122.0(3) . . . . ?
C2 Fe1 C4 C9 -158.5(3) . . . . ?
C1 Fe1 C4 C9 159.0(3) . . . . ?
P1 Fe1 C4 C9 46.2(3) . . . . ?
P2 Fe1 C4 C9 -129.2(3) . . . . ?
C2 C1 C5 C4 0.4(3) . . . . ?
C6 C1 C5 C4 -165.0(3) . . . . ?
Fe1 C1 C5 C4 59.83(19) . . . . ?
C2 C1 C5 C10 169.8(3) . . . . ?
C6 C1 C5 C10 4.4(4) . . . . ?
Fe1 C1 C5 C10 -130.7(3) . . . . ?
C2 C1 C5 Fe1 -59.46(18) . . . . ?
C6 C1 C5 Fe1 135.2(3) . . . . ?
C3 C4 C5 C1 0.8(3) . . . . ?
C9 C4 C5 C1 175.1(3) . . . . ?
Fe1 C4 C5 C1 -61.56(19) . . . . ?
C3 C4 C5 C10 -168.7(3) . . . . ?
C9 C4 C5 C10 5.7(4) . . . . ?
Fe1 C4 C5 C10 129.0(3) . . . . ?
C3 C4 C5 Fe1 62.34(19) . . . . ?
C9 C4 C5 Fe1 -123.3(3) . . . . ?
C37 Fe1 C5 C1 141.30(16) . . . . ?
C4 Fe1 C5 C1 118.7(2) . . . . ?
C3 Fe1 C5 C1 80.16(17) . . . . ?
C2 Fe1 C5 C1 37.08(16) . . . . ?
P1 Fe1 C5 C1 -127.77(15) . . . . ?
P2 Fe1 C5 C1 -41.0(2) . . . . ?
C37 Fe1 C5 C4 22.6(2) . . . . ?
C3 Fe1 C5 C4 -38.56(15) . . . . ?
C2 Fe1 C5 C4 -81.64(17) . . . . ?
C1 Fe1 C5 C4 -118.7(2) . . . . ?
P1 Fe1 C5 C4 113.51(14) . . . . ?
P2 Fe1 C5 C4 -159.70(13) . . . . ?
C37 Fe1 C5 C10 -96.8(3) . . . . ?
C4 Fe1 C5 C10 -119.4(4) . . . . ?
C3 Fe1 C5 C10 -157.9(3) . . . . ?
C2 Fe1 C5 C10 159.0(3) . . . . ?
C1 Fe1 C5 C10 121.9(4) . . . . ?
P1 Fe1 C5 C10 -5.9(3) . . . . ?
P2 Fe1 C5 C10 80.9(3) . . . . ?
C13 P1 C11 C12 -146.18(19) . . . . ?
C19 P1 C11 C12 107.8(2) . . . . ?
Fe1 P1 C11 C12 -19.0(2) . . . . ?
P1 C11 C12 P2 -12.3(2) . . . . ?
C31 P2 C12 C11 168.18(19) . . . . ?
C25 P2 C12 C11 -87.3(2) . . . . ?
Fe1 P2 C12 C11 38.9(2) . . . . ?
C19 P1 C13 C18 -29.4(3) . . . . ?
C11 P1 C13 C18 -134.5(2) . . . . ?
Fe1 P1 C13 C18 104.4(2) . . . . ?
C19 P1 C13 C14 155.0(2) . . . . ?
C11 P1 C13 C14 49.8(2) . . . . ?
Fe1 P1 C13 C14 -71.3(2) . . . . ?
C18 C13 C14 C15 -0.4(4) . . . . ?
P1 C13 C14 C15 175.4(2) . . . . ?
C13 C14 C15 C16 0.6(5) . . . . ?
C14 C15 C16 C17 -0.2(5) . . . . ?
C15 C16 C17 C18 -0.3(5) . . . . ?
C16 C17 C18 C13 0.5(5) . . . . ?
C14 C13 C18 C17 -0.1(4) . . . . ?
P1 C13 C18 C17 -175.9(2) . . . . ?
C13 P1 C19 C24 134.4(2) . . . . ?
C11 P1 C19 C24 -118.7(2) . . . . ?
Fe1 P1 C19 C24 1.0(3) . . . . ?
C13 P1 C19 C20 -52.2(3) . . . . ?
C11 P1 C19 C20 54.6(3) . . . . ?
Fe1 P1 C19 C20 174.4(2) . . . . ?
C24 C19 C20 C21 1.1(4) . . . . ?
P1 C19 C20 C21 -172.3(2) . . . . ?
C19 C20 C21 C22 -1.4(5) . . . . ?
C20 C21 C22 C23 0.2(5) . . . . ?
C21 C22 C23 C24 1.3(5) . . . . ?
C22 C23 C24 C19 -1.5(5) . . . . ?
C20 C19 C24 C23 0.3(4) . . . . ?
P1 C19 C24 C23 174.0(2) . . . . ?
C31 P2 C25 C26 117.7(3) . . . . ?
C12 P2 C25 C26 13.7(3) . . . . ?
Fe1 P2 C25 C26 -104.3(2) . . . . ?
C31 P2 C25 C30 -68.3(2) . . . . ?
C12 P2 C25 C30 -172.3(2) . . . . ?
Fe1 P2 C25 C30 69.7(2) . . . . ?
C30 C25 C26 C27 -1.5(4) . . . . ?
P2 C25 C26 C27 172.6(2) . . . . ?
C25 C26 C27 C28 -0.3(5) . . . . ?
C26 C27 C28 C29 1.4(5) . . . . ?
C27 C28 C29 C30 -0.7(5) . . . . ?
C28 C29 C30 C25 -1.1(5) . . . . ?
C26 C25 C30 C29 2.2(4) . . . . ?
P2 C25 C30 C29 -172.1(2) . . . . ?
C25 P2 C31 C36 148.4(2) . . . . ?
C12 P2 C31 C36 -105.6(2) . . . . ?
Fe1 P2 C31 C36 12.5(3) . . . . ?
C25 P2 C31 C32 -36.3(3) . . . . ?
C12 P2 C31 C32 69.8(3) . . . . ?
Fe1 P2 C31 C32 -172.14(19) . . . . ?
C36 C31 C32 C33 0.6(4) . . . . ?
P2 C31 C32 C33 -174.8(2) . . . . ?
C31 C32 C33 C34 -0.8(5) . . . . ?
C32 C33 C34 C35 0.0(5) . . . . ?
C33 C34 C35 C36 1.1(5) . . . . ?
C32 C31 C36 C35 0.5(4) . . . . ?
P2 C31 C36 C35 175.9(2) . . . . ?
C34 C35 C36 C31 -1.3(5) . . . . ?
C37 C38 P4 C41 -133.6(11) . . . . ?
C37 C38 P4 C47 -22.8(12) . . . . ?
C37 C38 P4 Pd1 104.7(11) . . . . ?
C38 P4 C41 C46 172.3(2) . . . . ?
C47 P4 C41 C46 62.8(3) . . . . ?
Pd1 P4 C41 C46 -57.9(2) . . . . ?
C38 P4 C41 C42 -11.4(3) . . . . ?
C47 P4 C41 C42 -120.8(2) . . . . ?
Pd1 P4 C41 C42 118.5(2) . . . . ?
C46 C41 C42 C43 -1.1(5) . . . . ?
P4 C41 C42 C43 -177.5(3) . . . . ?
C41 C42 C43 C44 -0.7(5) . . . . ?
C42 C43 C44 C45 1.4(6) . . . . ?
C43 C44 C45 C46 -0.4(5) . . . . ?
C42 C41 C46 C45 2.1(5) . . . . ?
P4 C41 C46 C45 178.5(2) . . . . ?
C44 C45 C46 C41 -1.3(5) . . . . ?
C38 P4 C47 C52 88.1(2) . . . . ?
C41 P4 C47 C52 -160.3(2) . . . . ?
Pd1 P4 C47 C52 -43.8(2) . . . . ?
C38 P4 C47 C48 -88.8(2) . . . . ?
C41 P4 C47 C48 22.8(3) . . . . ?
Pd1 P4 C47 C48 139.3(2) . . . . ?
C52 C47 C48 C49 -0.3(4) . . . . ?
P4 C47 C48 C49 176.5(2) . . . . ?
C47 C48 C49 C50 -0.3(5) . . . . ?
C48 C49 C50 C51 0.0(5) . . . . ?
C49 C50 C51 C52 1.1(5) . . . . ?
C48 C47 C52 C51 1.4(4) . . . . ?
P4 C47 C52 C51 -175.6(2) . . . . ?
C50 C51 C52 C47 -1.8(5) . . . . ?
C38 P4 Pd1 Cl1 -153.75(11) . . . 2_666 ?
C41 P4 Pd1 Cl1 84.78(10) . . . 2_666 ?
C47 P4 Pd1 Cl1 -30.83(10) . . . 2_666 ?
C38 P4 Pd1 Cl1 26.25(11) . . . . ?
C41 P4 Pd1 Cl1 -95.21(10) . . . . ?
C47 P4 Pd1 Cl1 149.17(10) . . . . ?
#===END


_database_code_depnum_ccdc_archive 'CCDC 951978'
