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

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_91richy

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C15 H17 Cl N Sb'
_chemical_formula_sum            'C15 H17 Cl N Sb'
_chemical_formula_weight         368.50

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P2(1)/n  '
_symmetry_space_group_name_Hall  '-P 2yn'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.630(3)
_cell_length_b                   8.2273(18)
_cell_length_c                   16.079(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.008(4)
_cell_angle_gamma                90.00
_cell_volume                     1519.5(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    297(2)
_cell_measurement_reflns_used    3081
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      23.02

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.611
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             728
_exptl_absorpt_coefficient_mu    1.975
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6819
_exptl_absorpt_correction_T_max  0.7834
_exptl_absorpt_process_details   'Bruker, 2001.'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      297(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11923
_diffrn_reflns_av_R_equivalents  0.0341
_diffrn_reflns_av_sigmaI/netI    0.0329
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.02
_diffrn_reflns_theta_max         26.37
_reflns_number_total             3110
_reflns_number_gt                2685
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0239P)²+0.3242P] 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_extinction_coef       ?
_refine_ls_number_reflns         3110
_refine_ls_number_parameters     165
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0302
_refine_ls_wR_factor_ref         0.0634
_refine_ls_wR_factor_gt          0.0607
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
Sb1 Sb 0.150140(17) 0.10591(2) 0.918369(13) 0.04543(9) Uani 1 1 d . . .
Cl1 Cl 0.04689(8) 0.36982(11) 0.87995(6) 0.0689(3) Uani 1 1 d . . .
N1 N 0.2758(2) -0.1103(3) 0.98711(17) 0.0496(6) Uani 1 1 d . . .
C1 C 0.2089(2) 0.1915(3) 1.04399(17) 0.0401(6) Uani 1 1 d . . .
C2 C 0.3049(3) 0.1121(3) 1.08899(18) 0.0417(7) Uani 1 1 d . . .
C3 C 0.3509(3) 0.1638(4) 1.16901(19) 0.0516(8) Uani 1 1 d . . .
H3 H 0.4157 0.1117 1.1985 0.062 Uiso 1 1 calc R . .
C4 C 0.3013(3) 0.2920(4) 1.2052(2) 0.0602(9) Uani 1 1 d . . .
H4 H 0.3322 0.3261 1.2592 0.072 Uiso 1 1 calc R . .
C5 C 0.2059(3) 0.3699(4) 1.1614(2) 0.0602(9) Uani 1 1 d . . .
H5 H 0.1726 0.4569 1.1860 0.072 Uiso 1 1 calc R . .
C6 C 0.1596(3) 0.3198(4) 1.08159(19) 0.0499(8) Uani 1 1 d . . .
H6 H 0.0947 0.3725 1.0526 0.060 Uiso 1 1 calc R . .
C7 C 0.3610(3) -0.0220(4) 1.0472(2) 0.0510(8) Uani 1 1 d . . .
H7A H 0.4206 0.0231 1.0180 0.061 Uiso 1 1 calc R . .
H7B H 0.3984 -0.0969 1.0896 0.061 Uiso 1 1 calc R . .
C8 C 0.3354(3) -0.2103(4) 0.9307(2) 0.0733(11) Uani 1 1 d . . .
H8A H 0.3815 -0.1415 0.9006 0.110 Uiso 1 1 calc R . .
H8B H 0.2786 -0.2666 0.8913 0.110 Uiso 1 1 calc R . .
H8C H 0.3850 -0.2878 0.9634 0.110 Uiso 1 1 calc R . .
C9 C 0.2005(3) -0.2131(4) 1.0310(3) 0.0769(11) Uani 1 1 d . . .
H9A H 0.2467 -0.2960 1.0623 0.115 Uiso 1 1 calc R . .
H9B H 0.1417 -0.2629 0.9904 0.115 Uiso 1 1 calc R . .
H9C H 0.1642 -0.1475 1.0688 0.115 Uiso 1 1 calc R . .
C10 C 0.2972(2) 0.1996(4) 0.86726(18) 0.0447(7) Uani 1 1 d . . .
C11 C 0.3260(3) 0.1365(4) 0.7934(2) 0.0563(9) Uani 1 1 d . . .
H11 H 0.2849 0.0482 0.7678 0.068 Uiso 1 1 calc R . .
C12 C 0.4158(3) 0.2040(5) 0.7573(2) 0.0655(10) Uani 1 1 d . . .
H12 H 0.4353 0.1595 0.7081 0.079 Uiso 1 1 calc R . .
C13 C 0.4754(3) 0.3347(5) 0.7934(2) 0.0658(10) Uani 1 1 d . . .
H13 H 0.5345 0.3806 0.7683 0.079 Uiso 1 1 calc R . .
C14 C 0.4487(3) 0.3987(4) 0.8665(2) 0.0592(9) Uani 1 1 d . . .
H14 H 0.4901 0.4875 0.8914 0.071 Uiso 1 1 calc R . .
C15 C 0.3601(3) 0.3312(4) 0.9031(2) 0.0519(8) Uani 1 1 d . . .
H15 H 0.3424 0.3753 0.9528 0.062 Uiso 1 1 calc R . .


_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
Sb1 C1 2.147(3) . ?
Sb1 C10 2.153(3) . ?
Sb1 N1 2.452(2) . ?
Sb1 Cl1 2.5111(9) . ?
N1 C7 1.464(4) . ?
N1 C9 1.474(4) . ?
N1 C8 1.476(4) . ?
C1 C6 1.385(4) . ?
C1 C2 1.394(4) . ?
C2 C3 1.381(4) . ?
C2 C7 1.494(4) . ?
C3 C4 1.375(4) . ?
C4 C5 1.375(4) . ?
C5 C6 1.376(4) . ?
C10 C15 1.381(4) . ?
C10 C11 1.384(4) . ?
C11 C12 1.388(5) . ?
C12 C13 1.360(5) . ?
C13 C14 1.367(5) . ?
C14 C15 1.381(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
C1 Sb1 C10 94.98(11) . . ?
C1 Sb1 N1 74.59(10) . . ?
C10 Sb1 N1 88.78(10) . . ?
C1 Sb1 Cl1 91.00(8) . . ?
C10 Sb1 Cl1 88.54(8) . . ?
N1 Sb1 Cl1 165.05(7) . . ?
C7 N1 C9 111.1(3) . . ?
C7 N1 C8 110.3(3) . . ?
C9 N1 C8 110.2(3) . . ?
C7 N1 Sb1 103.41(17) . . ?
C9 N1 Sb1 106.0(2) . . ?
C8 N1 Sb1 115.6(2) . . ?
C6 C1 C2 118.9(3) . . ?
C6 C1 Sb1 124.6(2) . . ?
C2 C1 Sb1 116.5(2) . . ?
C3 C2 C1 120.1(3) . . ?
C3 C2 C7 120.9(3) . . ?
C1 C2 C7 118.9(3) . . ?
C4 C3 C2 120.2(3) . . ?
C3 C4 C5 120.0(3) . . ?
C4 C5 C6 120.3(3) . . ?
C5 C6 C1 120.5(3) . . ?
N1 C7 C2 111.4(2) . . ?
C15 C10 C11 117.9(3) . . ?
C15 C10 Sb1 121.5(2) . . ?
C11 C10 Sb1 120.4(2) . . ?
C10 C11 C12 120.5(3) . . ?
C13 C12 C11 120.3(3) . . ?
C12 C13 C14 120.2(3) . . ?
C13 C14 C15 119.8(3) . . ?
C14 C15 C10 121.3(3) . . ?

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
C1 Sb1 N1 C7 -30.90(19) . . . . ?
C10 Sb1 N1 C7 64.6(2) . . . . ?
Cl1 Sb1 N1 C7 -15.1(4) . . . . ?
C1 Sb1 N1 C9 86.1(2) . . . . ?
C10 Sb1 N1 C9 -178.4(2) . . . . ?
Cl1 Sb1 N1 C9 101.9(3) . . . . ?
C1 Sb1 N1 C8 -151.6(2) . . . . ?
C10 Sb1 N1 C8 -56.0(2) . . . . ?
Cl1 Sb1 N1 C8 -135.7(3) . . . . ?
C10 Sb1 C1 C6 107.9(3) . . . . ?
N1 Sb1 C1 C6 -164.7(3) . . . . ?
Cl1 Sb1 C1 C6 19.3(3) . . . . ?
C10 Sb1 C1 C2 -70.9(2) . . . . ?
N1 Sb1 C1 C2 16.5(2) . . . . ?
Cl1 Sb1 C1 C2 -159.5(2) . . . . ?
C6 C1 C2 C3 -1.4(4) . . . . ?
Sb1 C1 C2 C3 177.5(2) . . . . ?
C6 C1 C2 C7 -177.6(3) . . . . ?
Sb1 C1 C2 C7 1.3(4) . . . . ?
C1 C2 C3 C4 1.0(5) . . . . ?
C7 C2 C3 C4 177.2(3) . . . . ?
C2 C3 C4 C5 -0.4(5) . . . . ?
C3 C4 C5 C6 0.2(5) . . . . ?
C4 C5 C6 C1 -0.6(5) . . . . ?
C2 C1 C6 C5 1.2(5) . . . . ?
Sb1 C1 C6 C5 -177.6(2) . . . . ?
C9 N1 C7 C2 -72.8(3) . . . . ?
C8 N1 C7 C2 164.6(3) . . . . ?
Sb1 N1 C7 C2 40.5(3) . . . . ?
C3 C2 C7 N1 151.8(3) . . . . ?
C1 C2 C7 N1 -32.1(4) . . . . ?
C1 Sb1 C10 C15 -25.9(3) . . . . ?
N1 Sb1 C10 C15 -100.3(2) . . . . ?
Cl1 Sb1 C10 C15 65.0(2) . . . . ?
C1 Sb1 C10 C11 159.0(2) . . . . ?
N1 Sb1 C10 C11 84.6(2) . . . . ?
Cl1 Sb1 C10 C11 -110.1(2) . . . . ?
C15 C10 C11 C12 0.3(5) . . . . ?
Sb1 C10 C11 C12 175.6(2) . . . . ?
C10 C11 C12 C13 -1.0(5) . . . . ?
C11 C12 C13 C14 1.2(5) . . . . ?
C12 C13 C14 C15 -0.7(5) . . . . ?
C13 C14 C15 C10 -0.1(5) . . . . ?
C11 C10 C15 C14 0.3(5) . . . . ?
Sb1 C10 C15 C14 -175.0(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.377
_refine_diff_density_min         -0.382
_refine_diff_density_rms         0.063
_database_code_depnum_ccdc_archive 'CCDC 978906'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_140rich

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C27 H34 N Sb'
_chemical_formula_sum            'C27 H34 N Sb'
_chemical_formula_weight         494.30

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P2(1)/c  '
_symmetry_space_group_name_Hall  '-P 2ybc'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   8.8686(6)
_cell_length_b                   16.5093(12)
_cell_length_c                   17.0131(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.9370(10)
_cell_angle_gamma                90.00
_cell_volume                     2467.1(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    297(2)
_cell_measurement_reflns_used    5694
_cell_measurement_theta_min      2.42
_cell_measurement_theta_max      23.55

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.331
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1016
_exptl_absorpt_coefficient_mu    1.130
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7352
_exptl_absorpt_correction_T_max  0.8670
_exptl_absorpt_process_details   'Bruker, 2001.'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      297(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19580
_diffrn_reflns_av_R_equivalents  0.0528
_diffrn_reflns_av_sigmaI/netI    0.0435
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.73
_diffrn_reflns_theta_max         26.37
_reflns_number_total             5038
_reflns_number_gt                4578
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0313P)²+2.0002P] 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_extinction_coef       ?
_refine_ls_number_reflns         5038
_refine_ls_number_parameters     270
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0528
_refine_ls_R_factor_gt           0.0472
_refine_ls_wR_factor_ref         0.1038
_refine_ls_wR_factor_gt          0.1012
_refine_ls_goodness_of_fit_ref   1.174
_refine_ls_restrained_S_all      1.174
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
C1 C 0.7105(4) 0.5390(2) 0.1264(2) 0.0424(8) Uani 1 1 d . . .
C2 C 0.5994(4) 0.4790(2) 0.1088(2) 0.0460(9) Uani 1 1 d . . .
C3 C 0.6366(6) 0.4069(3) 0.0746(2) 0.0625(11) Uani 1 1 d . . .
H3 H 0.5627 0.3670 0.0634 0.075 Uiso 1 1 calc R . .
C4 C 0.7813(6) 0.3933(3) 0.0568(3) 0.0708(13) Uani 1 1 d . . .
H4 H 0.8045 0.3446 0.0339 0.085 Uiso 1 1 calc R . .
C5 C 0.8903(5) 0.4511(3) 0.0727(3) 0.0635(12) Uani 1 1 d . . .
H5 H 0.9880 0.4423 0.0605 0.076 Uiso 1 1 calc R . .
C6 C 0.8543(5) 0.5232(3) 0.1071(2) 0.0507(9) Uani 1 1 d . . .
H6 H 0.9295 0.5625 0.1177 0.061 Uiso 1 1 calc R . .
C7 C 0.4378(5) 0.4918(3) 0.1224(2) 0.0594(11) Uani 1 1 d . . .
H7A H 0.3900 0.5305 0.0839 0.071 Uiso 1 1 calc R . .
H7B H 0.3829 0.4410 0.1139 0.071 Uiso 1 1 calc R . .
C8 C 0.2682(5) 0.5437(4) 0.2080(4) 0.102(2) Uani 1 1 d . . .
H8A H 0.2338 0.5835 0.1684 0.153 Uiso 1 1 calc R . .
H8B H 0.2637 0.5658 0.2598 0.153 Uiso 1 1 calc R . .
H8C H 0.2041 0.4967 0.2003 0.153 Uiso 1 1 calc R . .
C9 C 0.4805(6) 0.4611(3) 0.2611(3) 0.0750(14) Uani 1 1 d . . .
H9A H 0.4157 0.4143 0.2551 0.112 Uiso 1 1 calc R . .
H9B H 0.4794 0.4840 0.3129 0.112 Uiso 1 1 calc R . .
H9C H 0.5826 0.4456 0.2551 0.112 Uiso 1 1 calc R . .
C10 C 0.8539(4) 0.7203(2) 0.1488(2) 0.0449(8) Uani 1 1 d . . .
C11 C 0.8769(4) 0.7246(2) 0.0689(2) 0.0457(8) Uani 1 1 d . . .
C12 C 1.0037(5) 0.7645(2) 0.0485(3) 0.0576(11) Uani 1 1 d . . .
H12 H 1.0173 0.7667 -0.0047 0.069 Uiso 1 1 calc R . .
C13 C 1.1105(5) 0.8009(3) 0.1041(3) 0.0629(11) Uani 1 1 d . . .
C14 C 1.0810(5) 0.8009(3) 0.1810(3) 0.0645(12) Uani 1 1 d . . .
H14 H 1.1488 0.8272 0.2192 0.077 Uiso 1 1 calc R . .
C15 C 0.9545(5) 0.7635(3) 0.2047(2) 0.0558(10) Uani 1 1 d . . .
C16 C 0.7669(5) 0.6896(3) 0.0018(2) 0.0599(11) Uani 1 1 d . . .
H16A H 0.7857 0.7132 -0.0475 0.090 Uiso 1 1 calc R . .
H16B H 0.6645 0.7014 0.0104 0.090 Uiso 1 1 calc R . .
H16C H 0.7807 0.6320 -0.0002 0.090 Uiso 1 1 calc R . .
C17 C 1.2521(7) 0.8390(3) 0.0804(4) 0.098(2) Uani 1 1 d . . .
H17A H 1.3362 0.8024 0.0923 0.148 Uiso 1 1 calc R . .
H17B H 1.2737 0.8885 0.1093 0.148 Uiso 1 1 calc R . .
H17C H 1.2363 0.8502 0.0245 0.148 Uiso 1 1 calc R . .
C18 C 0.9296(7) 0.7743(4) 0.2900(3) 0.0905(18) Uani 1 1 d . . .
H18A H 0.9643 0.7269 0.3198 0.136 Uiso 1 1 calc R . .
H18B H 0.8232 0.7822 0.2924 0.136 Uiso 1 1 calc R . .
H18C H 0.9856 0.8207 0.3120 0.136 Uiso 1 1 calc R . .
C19 C 0.6821(4) 0.6319(2) 0.2991(2) 0.0470(9) Uani 1 1 d . . .
C20 C 0.7988(5) 0.5852(3) 0.3393(2) 0.0551(10) Uani 1 1 d . . .
C21 C 0.7967(6) 0.5679(3) 0.4194(3) 0.0690(13) Uani 1 1 d . . .
H21 H 0.8768 0.5382 0.4464 0.083 Uiso 1 1 calc R . .
C22 C 0.6820(6) 0.5927(3) 0.4603(3) 0.0708(14) Uani 1 1 d . . .
C23 C 0.5694(6) 0.6389(3) 0.4202(3) 0.0692(14) Uani 1 1 d . . .
H23 H 0.4908 0.6566 0.4469 0.083 Uiso 1 1 calc R . .
C24 C 0.5666(5) 0.6609(2) 0.3406(3) 0.0554(10) Uani 1 1 d . . .
C25 C 0.9309(5) 0.5539(4) 0.3018(3) 0.0808(16) Uani 1 1 d . . .
H25A H 0.9010 0.5057 0.2721 0.121 Uiso 1 1 calc R . .
H25B H 1.0140 0.5417 0.3425 0.121 Uiso 1 1 calc R . .
H25C H 0.9621 0.5944 0.2669 0.121 Uiso 1 1 calc R . .
C26 C 0.6823(8) 0.5713(4) 0.5467(3) 0.103(2) Uani 1 1 d . . .
H26A H 0.6006 0.5992 0.5667 0.155 Uiso 1 1 calc R . .
H26B H 0.7775 0.5873 0.5765 0.155 Uiso 1 1 calc R . .
H26C H 0.6691 0.5139 0.5517 0.155 Uiso 1 1 calc R . .
C27 C 0.4419(6) 0.7168(3) 0.3044(3) 0.0816(15) Uani 1 1 d . . .
H27A H 0.3907 0.6932 0.2565 0.122 Uiso 1 1 calc R . .
H27B H 0.4851 0.7679 0.2926 0.122 Uiso 1 1 calc R . .
H27C H 0.3703 0.7249 0.3412 0.122 Uiso 1 1 calc R . .
N1 N 0.4257(4) 0.5208(2) 0.2010(2) 0.0575(9) Uani 1 1 d . . .
Sb1 Sb 0.64749(3) 0.655294(16) 0.171893(14) 0.04470(11) Uani 1 1 d . . .


_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
C1 C6 1.385(5) . ?
C1 C2 1.400(5) . ?
C1 Sb1 2.172(4) . ?
C2 C3 1.385(6) . ?
C2 C7 1.498(5) . ?
C3 C4 1.376(7) . ?
C4 C5 1.358(7) . ?
C5 C6 1.382(6) . ?
C7 N1 1.438(5) . ?
C8 N1 1.467(6) . ?
C9 N1 1.455(6) . ?
C10 C11 1.405(5) . ?
C10 C15 1.405(5) . ?
C10 Sb1 2.203(4) . ?
C11 C12 1.387(5) . ?
C11 C16 1.510(5) . ?
C12 C13 1.381(6) . ?
C13 C14 1.369(7) . ?
C13 C17 1.508(7) . ?
C14 C15 1.388(6) . ?
C15 C18 1.509(6) . ?
C19 C20 1.392(6) . ?
C19 C24 1.406(5) . ?
C19 Sb1 2.178(4) . ?
C20 C21 1.396(6) . ?
C20 C25 1.500(6) . ?
C21 C22 1.372(7) . ?
C22 C23 1.363(7) . ?
C22 C26 1.511(6) . ?
C23 C24 1.399(6) . ?
C24 C27 1.505(7) . ?

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
C6 C1 C2 117.3(4) . . ?
C6 C1 Sb1 122.9(3) . . ?
C2 C1 Sb1 119.6(3) . . ?
C3 C2 C1 119.8(4) . . ?
C3 C2 C7 118.3(4) . . ?
C1 C2 C7 121.8(4) . . ?
C4 C3 C2 121.0(4) . . ?
C5 C4 C3 120.1(4) . . ?
C4 C5 C6 119.3(4) . . ?
C5 C6 C1 122.5(4) . . ?
N1 C7 C2 112.7(3) . . ?
C11 C10 C15 117.7(3) . . ?
C11 C10 Sb1 115.7(3) . . ?
C15 C10 Sb1 126.3(3) . . ?
C12 C11 C10 119.8(4) . . ?
C12 C11 C16 117.0(4) . . ?
C10 C11 C16 123.2(4) . . ?
C13 C12 C11 122.6(4) . . ?
C14 C13 C12 116.8(4) . . ?
C14 C13 C17 122.1(5) . . ?
C12 C13 C17 121.0(5) . . ?
C13 C14 C15 123.1(4) . . ?
C14 C15 C10 119.6(4) . . ?
C14 C15 C18 117.2(4) . . ?
C10 C15 C18 123.2(4) . . ?
C20 C19 C24 119.1(4) . . ?
C20 C19 Sb1 125.4(3) . . ?
C24 C19 Sb1 115.2(3) . . ?
C19 C20 C21 118.9(4) . . ?
C19 C20 C25 123.6(4) . . ?
C21 C20 C25 117.4(4) . . ?
C22 C21 C20 123.0(5) . . ?
C23 C22 C21 117.2(4) . . ?
C23 C22 C26 121.4(5) . . ?
C21 C22 C26 121.4(5) . . ?
C22 C23 C24 122.9(4) . . ?
C23 C24 C19 118.8(4) . . ?
C23 C24 C27 118.0(4) . . ?
C19 C24 C27 123.2(4) . . ?
C7 N1 C9 111.6(4) . . ?
C7 N1 C8 110.8(4) . . ?
C9 N1 C8 110.3(4) . . ?
C1 Sb1 C19 100.95(14) . . ?
C1 Sb1 C10 96.06(14) . . ?
C19 Sb1 C10 104.88(14) . . ?

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
C6 C1 C2 C3 1.0(5) . . . . ?
Sb1 C1 C2 C3 175.5(3) . . . . ?
C6 C1 C2 C7 -176.1(3) . . . . ?
Sb1 C1 C2 C7 -1.6(5) . . . . ?
C1 C2 C3 C4 -0.6(6) . . . . ?
C7 C2 C3 C4 176.6(4) . . . . ?
C2 C3 C4 C5 -0.1(7) . . . . ?
C3 C4 C5 C6 0.3(7) . . . . ?
C4 C5 C6 C1 0.1(6) . . . . ?
C2 C1 C6 C5 -0.8(6) . . . . ?
Sb1 C1 C6 C5 -175.1(3) . . . . ?
C3 C2 C7 N1 132.3(4) . . . . ?
C1 C2 C7 N1 -50.6(5) . . . . ?
C15 C10 C11 C12 5.8(6) . . . . ?
Sb1 C10 C11 C12 179.9(3) . . . . ?
C15 C10 C11 C16 -172.5(4) . . . . ?
Sb1 C10 C11 C16 1.6(5) . . . . ?
C10 C11 C12 C13 -0.1(6) . . . . ?
C16 C11 C12 C13 178.3(4) . . . . ?
C11 C12 C13 C14 -4.2(7) . . . . ?
C11 C12 C13 C17 176.0(5) . . . . ?
C12 C13 C14 C15 2.9(7) . . . . ?
C17 C13 C14 C15 -177.4(5) . . . . ?
C13 C14 C15 C10 2.8(7) . . . . ?
C13 C14 C15 C18 -175.0(5) . . . . ?
C11 C10 C15 C14 -7.1(6) . . . . ?
Sb1 C10 C15 C14 179.5(3) . . . . ?
C11 C10 C15 C18 170.6(5) . . . . ?
Sb1 C10 C15 C18 -2.8(6) . . . . ?
C24 C19 C20 C21 0.5(6) . . . . ?
Sb1 C19 C20 C21 -172.8(3) . . . . ?
C24 C19 C20 C25 -177.5(4) . . . . ?
Sb1 C19 C20 C25 9.2(6) . . . . ?
C19 C20 C21 C22 2.2(7) . . . . ?
C25 C20 C21 C22 -179.7(5) . . . . ?
C20 C21 C22 C23 -2.6(7) . . . . ?
C20 C21 C22 C26 178.8(5) . . . . ?
C21 C22 C23 C24 0.3(7) . . . . ?
C26 C22 C23 C24 179.0(4) . . . . ?
C22 C23 C24 C19 2.2(7) . . . . ?
C22 C23 C24 C27 -175.9(5) . . . . ?
C20 C19 C24 C23 -2.6(6) . . . . ?
Sb1 C19 C24 C23 171.4(3) . . . . ?
C20 C19 C24 C27 175.4(4) . . . . ?
Sb1 C19 C24 C27 -10.6(6) . . . . ?
C2 C7 N1 C9 -65.0(5) . . . . ?
C2 C7 N1 C8 171.7(4) . . . . ?
C6 C1 Sb1 C19 -96.3(3) . . . . ?
C2 C1 Sb1 C19 89.5(3) . . . . ?
C6 C1 Sb1 C10 10.1(3) . . . . ?
C2 C1 Sb1 C10 -164.1(3) . . . . ?
C20 C19 Sb1 C1 37.4(4) . . . . ?
C24 C19 Sb1 C1 -136.1(3) . . . . ?
C20 C19 Sb1 C10 -61.9(4) . . . . ?
C24 C19 Sb1 C10 124.5(3) . . . . ?
C11 C10 Sb1 C1 61.7(3) . . . . ?
C15 C10 Sb1 C1 -124.7(4) . . . . ?
C11 C10 Sb1 C19 164.8(3) . . . . ?
C15 C10 Sb1 C19 -21.7(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.704
_refine_diff_density_min         -0.950
_refine_diff_density_rms         0.073
_database_code_depnum_ccdc_archive 'CCDC 978907'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_305rich

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C15 H17 Cl4 N Pd Sb, C9 H14 N'
_chemical_formula_sum            'C24 H31 Cl4 N2 Pd Sb'
_chemical_formula_weight         717.46

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P-1   '
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.7797(9)
_cell_length_b                   10.3772(11)
_cell_length_c                   15.8911(17)
_cell_angle_alpha                98.954(2)
_cell_angle_beta                 102.050(2)
_cell_angle_gamma                96.987(2)
_cell_volume                     1380.7(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    297(2)
_cell_measurement_reflns_used    3439
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      25.15

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.726
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             708
_exptl_absorpt_coefficient_mu    2.032
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7112
_exptl_absorpt_correction_T_max  0.8543
_exptl_absorpt_process_details   'Bruker, 2001.'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      297(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13150
_diffrn_reflns_av_R_equivalents  0.0414
_diffrn_reflns_av_sigmaI/netI    0.0545
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.20
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4853
_reflns_number_gt                4148
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0311P)²+4.8477P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4853
_refine_ls_number_parameters     297
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0797
_refine_ls_R_factor_gt           0.0648
_refine_ls_wR_factor_ref         0.1175
_refine_ls_wR_factor_gt          0.1129
_refine_ls_goodness_of_fit_ref   1.249
_refine_ls_restrained_S_all      1.249
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
H2 H 0.231(10) 0.159(4) 0.254(5) 0.05(3) Uiso 1 1 d D . .
C1 C 0.7290(9) 0.6279(7) 0.1922(5) 0.0307(18) Uani 1 1 d . . .
C2 C 0.8842(9) 0.6270(7) 0.2363(5) 0.0298(18) Uani 1 1 d . . .
C3 C 0.9982(10) 0.6110(9) 0.1889(6) 0.041(2) Uani 1 1 d . . .
H3 H 1.1019 0.6108 0.2177 0.050 Uiso 1 1 calc R . .
C4 C 0.9579(11) 0.5953(9) 0.0987(6) 0.050(2) Uani 1 1 d . . .
H4 H 1.0354 0.5859 0.0672 0.060 Uiso 1 1 calc R . .
C5 C 0.8049(12) 0.5934(9) 0.0548(6) 0.048(2) Uani 1 1 d . . .
H5 H 0.7781 0.5812 -0.0060 0.058 Uiso 1 1 calc R . .
C6 C 0.6911(10) 0.6101(8) 0.1027(5) 0.038(2) Uani 1 1 d . . .
H6 H 0.5873 0.6091 0.0735 0.045 Uiso 1 1 calc R . .
C7 C 0.9223(9) 0.6426(9) 0.3339(5) 0.038(2) Uani 1 1 d . . .
H7A H 1.0103 0.5975 0.3528 0.046 Uiso 1 1 calc R . .
H7B H 0.9530 0.7356 0.3600 0.046 Uiso 1 1 calc R . .
C8 C 0.8067(11) 0.6288(10) 0.4585(6) 0.052(2) Uani 1 1 d . . .
H8A H 0.8947 0.5940 0.4884 0.077 Uiso 1 1 calc R . .
H8B H 0.7132 0.5960 0.4759 0.077 Uiso 1 1 calc R . .
H8C H 0.8267 0.7235 0.4734 0.077 Uiso 1 1 calc R . .
C9 C 0.7586(10) 0.4425(8) 0.3427(6) 0.048(2) Uani 1 1 d . . .
H9A H 0.8479 0.4103 0.3736 0.072 Uiso 1 1 calc R . .
H9B H 0.7455 0.4141 0.2808 0.072 Uiso 1 1 calc R . .
H9C H 0.6655 0.4083 0.3598 0.072 Uiso 1 1 calc R . .
C10 C 0.6641(9) 0.8585(8) 0.3432(6) 0.035(2) Uani 1 1 d . . .
C11 C 0.7490(10) 0.9415(8) 0.3040(6) 0.044(2) Uani 1 1 d . . .
H11 H 0.7671 0.9095 0.2496 0.052 Uiso 1 1 calc R . .
C12 C 0.8076(10) 1.0700(9) 0.3431(7) 0.050(2) Uani 1 1 d . . .
H12 H 0.8631 1.1248 0.3149 0.060 Uiso 1 1 calc R . .
C13 C 0.7843(11) 1.1174(9) 0.4235(7) 0.053(3) Uani 1 1 d . . .
H13 H 0.8248 1.2047 0.4501 0.064 Uiso 1 1 calc R . .
C14 C 0.7029(12) 1.0389(9) 0.4655(6) 0.055(3) Uani 1 1 d . . .
H14 H 0.6889 1.0711 0.5208 0.066 Uiso 1 1 calc R . .
C15 C 0.6403(11) 0.9081(9) 0.4235(6) 0.049(2) Uani 1 1 d . . .
H15 H 0.5815 0.8542 0.4508 0.059 Uiso 1 1 calc R . .
C16 C 0.0021(10) 0.0674(9) 0.1118(5) 0.040(2) Uani 1 1 d . . .
C17 C -0.0359(12) 0.1905(10) 0.1071(6) 0.055(3) Uani 1 1 d . . .
H17 H 0.0448 0.2618 0.1167 0.066 Uiso 1 1 calc R . .
C18 C -0.1875(13) 0.2114(12) 0.0889(7) 0.071(3) Uani 1 1 d . . .
H18 H -0.2097 0.2961 0.0854 0.085 Uiso 1 1 calc R . .
C19 C -0.3084(13) 0.1083(15) 0.0755(7) 0.078(4) Uani 1 1 d . . .
H19 H -0.4127 0.1223 0.0642 0.094 Uiso 1 1 calc R . .
C20 C -0.2727(14) -0.0157(14) 0.0792(7) 0.080(4) Uani 1 1 d . . .
H20 H -0.3537 -0.0868 0.0693 0.096 Uiso 1 1 calc R . .
C21 C -0.1201(12) -0.0363(10) 0.0971(6) 0.059(3) Uani 1 1 d . . .
H21 H -0.0980 -0.1212 0.0995 0.071 Uiso 1 1 calc R . .
C22 C 0.1708(11) 0.0473(9) 0.1334(6) 0.053(3) Uani 1 1 d . . .
H22A H 0.1768 -0.0445 0.1124 0.063 Uiso 1 1 calc R . .
H22B H 0.2306 0.1012 0.1029 0.063 Uiso 1 1 calc R . .
C23 C 0.1757(13) -0.0048(11) 0.2804(7) 0.067(3) Uani 1 1 d . . .
H23A H 0.0629 -0.0115 0.2662 0.101 Uiso 1 1 calc R . .
H23B H 0.2161 0.0313 0.3415 0.101 Uiso 1 1 calc R . .
H23C H 0.2039 -0.0910 0.2674 0.101 Uiso 1 1 calc R . .
C24 C 0.4189(11) 0.0922(10) 0.2508(8) 0.070(3) Uani 1 1 d . . .
H24A H 0.4581 0.1189 0.3130 0.105 Uiso 1 1 calc R . .
H24B H 0.4640 0.1566 0.2218 0.105 Uiso 1 1 calc R . .
H24C H 0.4475 0.0079 0.2319 0.105 Uiso 1 1 calc R . .
Cl1 Cl 0.3933(2) 0.7457(2) 0.15929(15) 0.0460(6) Uani 1 1 d . . .
Cl2 Cl 0.3579(3) 0.6405(2) 0.42803(17) 0.0586(7) Uani 1 1 d . . .
Cl3 Cl 0.3830(3) 0.3795(2) 0.17207(14) 0.0464(6) Uani 1 1 d . . .
Cl4 Cl 0.1672(3) 0.3428(2) 0.32435(15) 0.0475(6) Uani 1 1 d . . .
N1 N 0.7845(7) 0.5873(7) 0.3638(4) 0.0341(16) Uani 1 1 d . . .
N2 N 0.2430(9) 0.0818(7) 0.2284(5) 0.0464(19) Uani 1 1 d D . .
Pd1 Pd 0.36432(7) 0.50157(6) 0.30247(4) 0.03032(18) Uani 1 1 d . . .
Sb1 Sb 0.57222(6) 0.66210(5) 0.27426(3) 0.02574(16) Uani 1 1 d . . .


_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
C1 C6 1.368(11) . ?
C1 C2 1.399(10) . ?
C1 Sb1 2.108(7) . ?
C2 C3 1.383(10) . ?
C2 C7 1.495(11) . ?
C3 C4 1.382(12) . ?
C4 C5 1.374(12) . ?
C5 C6 1.389(12) . ?
C7 N1 1.474(10) . ?
C8 N1 1.465(10) . ?
C9 N1 1.467(10) . ?
C10 C15 1.368(11) . ?
C10 C11 1.375(11) . ?
C10 Sb1 2.130(8) . ?
C11 C12 1.368(12) . ?
C12 C13 1.361(13) . ?
C13 C14 1.358(13) . ?
C14 C15 1.405(12) . ?
C16 C17 1.368(12) . ?
C16 C21 1.377(12) . ?
C16 C22 1.497(12) . ?
C17 C18 1.354(13) . ?
C18 C19 1.370(15) . ?
C19 C20 1.367(16) . ?
C20 C21 1.360(15) . ?
C22 N2 1.480(12) . ?
C23 N2 1.464(12) . ?
C24 N2 1.498(11) . ?
Cl1 Sb1 2.487(2) . ?
Cl2 Pd1 2.288(2) . ?
Cl3 Pd1 2.302(2) . ?
Cl4 Pd1 2.360(2) . ?
N1 Sb1 2.385(6) . ?
Pd1 Sb1 2.4783(8) . ?

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
C6 C1 C2 119.7(7) . . ?
C6 C1 Sb1 125.6(6) . . ?
C2 C1 Sb1 114.7(5) . . ?
C3 C2 C1 119.4(7) . . ?
C3 C2 C7 121.7(7) . . ?
C1 C2 C7 118.9(7) . . ?
C4 C3 C2 119.9(8) . . ?
C5 C4 C3 120.9(8) . . ?
C4 C5 C6 118.9(8) . . ?
C1 C6 C5 121.1(8) . . ?
N1 C7 C2 110.5(6) . . ?
C15 C10 C11 117.9(8) . . ?
C15 C10 Sb1 123.8(6) . . ?
C11 C10 Sb1 118.4(6) . . ?
C12 C11 C10 121.6(9) . . ?
C13 C12 C11 119.7(9) . . ?
C14 C13 C12 120.9(9) . . ?
C13 C14 C15 118.7(9) . . ?
C10 C15 C14 121.2(9) . . ?
C17 C16 C21 117.7(9) . . ?
C17 C16 C22 120.7(8) . . ?
C21 C16 C22 121.6(9) . . ?
C18 C17 C16 121.8(10) . . ?
C17 C18 C19 120.2(11) . . ?
C20 C19 C18 118.7(11) . . ?
C21 C20 C19 120.8(11) . . ?
C20 C21 C16 120.7(11) . . ?
N2 C22 C16 112.5(7) . . ?
C8 N1 C9 108.7(7) . . ?
C8 N1 C7 110.9(7) . . ?
C9 N1 C7 110.6(7) . . ?
C8 N1 Sb1 116.1(5) . . ?
C9 N1 Sb1 107.9(5) . . ?
C7 N1 Sb1 102.5(4) . . ?
C23 N2 C22 114.2(8) . . ?
C23 N2 C24 109.3(8) . . ?
C22 N2 C24 113.9(8) . . ?
Cl2 Pd1 Cl3 174.36(9) . . ?
Cl2 Pd1 Cl4 91.40(8) . . ?
Cl3 Pd1 Cl4 93.97(8) . . ?
Cl2 Pd1 Sb1 90.88(6) . . ?
Cl3 Pd1 Sb1 83.76(6) . . ?
Cl4 Pd1 Sb1 177.71(6) . . ?
C1 Sb1 C10 102.4(3) . . ?
C1 Sb1 N1 76.0(3) . . ?
C10 Sb1 N1 88.8(3) . . ?
C1 Sb1 Pd1 128.4(2) . . ?
C10 Sb1 Pd1 128.4(2) . . ?
N1 Sb1 Pd1 94.61(16) . . ?
C1 Sb1 Cl1 91.4(2) . . ?
C10 Sb1 Cl1 91.1(2) . . ?
N1 Sb1 Cl1 167.05(16) . . ?
Pd1 Sb1 Cl1 95.65(6) . . ?

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



C6 C1 C2 C3 1.5(12) . . . . ?
Sb1 C1 C2 C3 -177.3(6) . . . . ?
C6 C1 C2 C7 -178.2(7) . . . . ?
Sb1 C1 C2 C7 3.1(9) . . . . ?
C1 C2 C3 C4 -0.4(12) . . . . ?
C7 C2 C3 C4 179.2(8) . . . . ?
C2 C3 C4 C5 -0.9(14) . . . . ?
C3 C4 C5 C6 1.2(14) . . . . ?
C2 C1 C6 C5 -1.2(12) . . . . ?
Sb1 C1 C6 C5 177.4(6) . . . . ?
C4 C5 C6 C1 -0.1(13) . . . . ?
C3 C2 C7 N1 -149.3(7) . . . . ?
C1 C2 C7 N1 30.3(10) . . . . ?
C15 C10 C11 C12 -0.4(13) . . . . ?
Sb1 C10 C11 C12 178.0(7) . . . . ?
C10 C11 C12 C13 1.1(14) . . . . ?
C11 C12 C13 C14 -0.3(15) . . . . ?
C12 C13 C14 C15 -1.2(15) . . . . ?
C11 C10 C15 C14 -1.2(14) . . . . ?
Sb1 C10 C15 C14 -179.5(7) . . . . ?
C13 C14 C15 C10 2.0(15) . . . . ?
C21 C16 C17 C18 0.2(15) . . . . ?
C22 C16 C17 C18 -179.1(9) . . . . ?
C16 C17 C18 C19 0.8(17) . . . . ?
C17 C18 C19 C20 -1.4(18) . . . . ?
C18 C19 C20 C21 1.1(18) . . . . ?
C19 C20 C21 C16 -0.1(17) . . . . ?
C17 C16 C21 C20 -0.5(14) . . . . ?
C22 C16 C21 C20 178.8(9) . . . . ?
C17 C16 C22 N2 80.5(11) . . . . ?
C21 C16 C22 N2 -98.8(10) . . . . ?
C2 C7 N1 C8 -166.7(7) . . . . ?
C2 C7 N1 C9 72.6(8) . . . . ?
C2 C7 N1 Sb1 -42.2(7) . . . . ?
C16 C22 N2 C23 66.3(10) . . . . ?
C16 C22 N2 C24 -167.0(8) . . . . ?
C6 C1 Sb1 C10 -113.9(7) . . . . ?
C2 C1 Sb1 C10 64.7(6) . . . . ?
C6 C1 Sb1 N1 160.5(8) . . . . ?
C2 C1 Sb1 N1 -20.8(5) . . . . ?
C6 C1 Sb1 Pd1 75.8(7) . . . . ?
C2 C1 Sb1 Pd1 -105.6(6) . . . . ?
C6 C1 Sb1 Cl1 -22.5(7) . . . . ?
C2 C1 Sb1 Cl1 156.1(6) . . . . ?
C15 C10 Sb1 C1 -155.7(7) . . . . ?
C11 C10 Sb1 C1 26.0(7) . . . . ?
C15 C10 Sb1 N1 -80.3(7) . . . . ?
C11 C10 Sb1 N1 101.4(7) . . . . ?
C15 C10 Sb1 Pd1 14.6(9) . . . . ?
C11 C10 Sb1 Pd1 -163.7(5) . . . . ?
C15 C10 Sb1 Cl1 112.6(7) . . . . ?
C11 C10 Sb1 Cl1 -65.7(6) . . . . ?
C8 N1 Sb1 C1 155.4(6) . . . . ?
C9 N1 Sb1 C1 -82.3(5) . . . . ?
C7 N1 Sb1 C1 34.4(5) . . . . ?
C8 N1 Sb1 C10 52.3(6) . . . . ?
C9 N1 Sb1 C10 174.5(6) . . . . ?
C7 N1 Sb1 C10 -68.7(5) . . . . ?
C8 N1 Sb1 Pd1 -76.1(6) . . . . ?
C9 N1 Sb1 Pd1 46.1(5) . . . . ?
C7 N1 Sb1 Pd1 162.9(5) . . . . ?
C8 N1 Sb1 Cl1 141.6(7) . . . . ?
C9 N1 Sb1 Cl1 -96.2(9) . . . . ?
C7 N1 Sb1 Cl1 20.6(11) . . . . ?
Cl2 Pd1 Sb1 C1 161.0(3) . . . . ?
Cl3 Pd1 Sb1 C1 -20.7(3) . . . . ?
Cl2 Pd1 Sb1 C10 -6.8(3) . . . . ?
Cl3 Pd1 Sb1 C10 171.4(3) . . . . ?
Cl2 Pd1 Sb1 N1 85.23(17) . . . . ?
Cl3 Pd1 Sb1 N1 -96.51(17) . . . . ?
Cl2 Pd1 Sb1 Cl1 -102.69(9) . . . . ?
Cl3 Pd1 Sb1 Cl1 75.57(8) . . . . ?


_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.939
_refine_diff_density_min         -2.318
_refine_diff_density_rms         0.133
_database_code_depnum_ccdc_archive 'CCDC 978908'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_307rich

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C27 H34 Cl2 N Pd Sb'
_chemical_formula_sum            'C27 H34 Cl2 N Pd Sb'
_chemical_formula_weight         671.60

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P2(1)/n  '
_symmetry_space_group_name_Hall  '-P 2yn'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.3725(7)
_cell_length_b                   23.1231(18)
_cell_length_c                   12.9278(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 107.6790(10)
_cell_angle_gamma                90.00
_cell_volume                     2669.4(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    297(2)
_cell_measurement_reflns_used    4963
_cell_measurement_theta_min      2.38
_cell_measurement_theta_max      23.75

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.671
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1336
_exptl_absorpt_coefficient_mu    1.901
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7023
_exptl_absorpt_correction_T_max  0.8628
_exptl_absorpt_process_details   'Bruker, 2001.'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      297(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19169
_diffrn_reflns_av_R_equivalents  0.0441
_diffrn_reflns_av_sigmaI/netI    0.0389
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.76
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4704
_reflns_number_gt                4303
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0301P)²+3.5047P] 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_extinction_coef       ?
_refine_ls_number_reflns         4704
_refine_ls_number_parameters     297
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0433
_refine_ls_R_factor_gt           0.0384
_refine_ls_wR_factor_ref         0.0838
_refine_ls_wR_factor_gt          0.0818
_refine_ls_goodness_of_fit_ref   1.137
_refine_ls_restrained_S_all      1.137
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
C1 C 0.0630(5) 0.08945(19) 0.1970(4) 0.0299(10) Uani 1 1 d . . .
C2 C 0.0038(5) 0.1053(2) 0.2797(4) 0.0344(11) Uani 1 1 d . . .
C3 C -0.1196(6) 0.0750(2) 0.2884(4) 0.0469(13) Uani 1 1 d . . .
H3 H -0.1618 0.0853 0.3423 0.056 Uiso 1 1 calc R . .
C4 C -0.1812(6) 0.0301(2) 0.2191(5) 0.0503(14) Uani 1 1 d . . .
H4 H -0.2625 0.0098 0.2279 0.060 Uiso 1 1 calc R . .
C5 C -0.1236(6) 0.0153(2) 0.1381(4) 0.0450(13) Uani 1 1 d . . .
H5 H -0.1654 -0.0148 0.0910 0.054 Uiso 1 1 calc R . .
C6 C -0.0029(6) 0.0454(2) 0.1264(4) 0.0407(12) Uani 1 1 d . . .
H6 H 0.0351 0.0359 0.0700 0.049 Uiso 1 1 calc R . .
C7 C 0.0702(6) 0.1523(2) 0.3609(4) 0.0386(12) Uani 1 1 d . . .
H7A H 0.0265 0.1493 0.4198 0.046 Uiso 1 1 calc R . .
H7B H 0.1767 0.1450 0.3912 0.046 Uiso 1 1 calc R . .
C8 C -0.1131(6) 0.2240(3) 0.2628(5) 0.0608(17) Uani 1 1 d . . .
H8A H -0.1695 0.2159 0.3119 0.091 Uiso 1 1 calc R . .
H8B H -0.1463 0.1991 0.2006 0.091 Uiso 1 1 calc R . .
H8C H -0.1279 0.2636 0.2397 0.091 Uiso 1 1 calc R . .
C9 C 0.0967(7) 0.2508(2) 0.4170(4) 0.0572(16) Uani 1 1 d . . .
H9A H 0.0875 0.2907 0.3956 0.086 Uiso 1 1 calc R . .
H9B H 0.1990 0.2425 0.4569 0.086 Uiso 1 1 calc R . .
H9C H 0.0340 0.2432 0.4619 0.086 Uiso 1 1 calc R . .
C10 C 0.2260(5) 0.13028(18) 0.0111(3) 0.0277(10) Uani 1 1 d . . .
C11 C 0.0851(5) 0.14205(19) -0.0631(4) 0.0327(11) Uani 1 1 d . . .
C12 C 0.0700(6) 0.1386(2) -0.1732(4) 0.0394(12) Uani 1 1 d . . .
H12 H -0.0238 0.1450 -0.2228 0.047 Uiso 1 1 calc R . .
C13 C 0.1888(6) 0.1261(2) -0.2119(4) 0.0384(12) Uani 1 1 d . . .
C14 C 0.3281(6) 0.1171(2) -0.1369(4) 0.0361(11) Uani 1 1 d . . .
H14 H 0.4095 0.1093 -0.1616 0.043 Uiso 1 1 calc R . .
C15 C 0.3495(5) 0.1193(2) -0.0256(4) 0.0317(10) Uani 1 1 d . . .
C16 C -0.0498(5) 0.1617(2) -0.0332(4) 0.0437(13) Uani 1 1 d . . .
H16A H -0.1230 0.1771 -0.0963 0.066 Uiso 1 1 calc R . .
H16B H -0.0208 0.1912 0.0216 0.066 Uiso 1 1 calc R . .
H16C H -0.0919 0.1295 -0.0057 0.066 Uiso 1 1 calc R . .
C17 C 0.1679(8) 0.1233(3) -0.3318(4) 0.0606(16) Uani 1 1 d . . .
H17A H 0.1162 0.0883 -0.3610 0.091 Uiso 1 1 calc R . .
H17B H 0.2640 0.1238 -0.3440 0.091 Uiso 1 1 calc R . .
H17C H 0.1103 0.1560 -0.3671 0.091 Uiso 1 1 calc R . .
C18 C 0.5062(5) 0.1127(3) 0.0508(4) 0.0479(14) Uani 1 1 d . . .
H18A H 0.5339 0.1471 0.0938 0.072 Uiso 1 1 calc R . .
H18B H 0.5747 0.1066 0.0097 0.072 Uiso 1 1 calc R . .
H18C H 0.5098 0.0802 0.0977 0.072 Uiso 1 1 calc R . .
C19 C 0.4299(5) 0.0952(2) 0.2894(4) 0.0314(10) Uani 1 1 d . . .
C20 C 0.5232(6) 0.1258(2) 0.3781(4) 0.0402(12) Uani 1 1 d . . .
C21 C 0.6290(5) 0.0947(3) 0.4580(4) 0.0470(14) Uani 1 1 d . . .
H21 H 0.6906 0.1145 0.5176 0.056 Uiso 1 1 calc R . .
C22 C 0.6456(6) 0.0358(3) 0.4519(4) 0.0471(14) Uani 1 1 d . . .
C23 C 0.5534(6) 0.0068(2) 0.3634(4) 0.0467(14) Uani 1 1 d . . .
H23 H 0.5634 -0.0331 0.3584 0.056 Uiso 1 1 calc R . .
C24 C 0.4452(5) 0.0357(2) 0.2809(4) 0.0378(11) Uani 1 1 d . . .
C25 C 0.5174(7) 0.1902(2) 0.3929(5) 0.0650(18) Uani 1 1 d . . .
H25A H 0.5235 0.2094 0.3285 0.098 Uiso 1 1 calc R . .
H25B H 0.6001 0.2019 0.4537 0.098 Uiso 1 1 calc R . .
H25C H 0.4251 0.2003 0.4060 0.098 Uiso 1 1 calc R . .
C26 C 0.7648(7) 0.0040(3) 0.5387(5) 0.075(2) Uani 1 1 d . . .
H26A H 0.7278 -0.0333 0.5505 0.113 Uiso 1 1 calc R . .
H26B H 0.7901 0.0258 0.6049 0.113 Uiso 1 1 calc R . .
H26C H 0.8524 -0.0006 0.5156 0.113 Uiso 1 1 calc R . .
C27 C 0.3528(6) -0.0002(2) 0.1867(5) 0.0526(14) Uani 1 1 d . . .
H27A H 0.4134 -0.0308 0.1723 0.079 Uiso 1 1 calc R . .
H27B H 0.3172 0.0238 0.1235 0.079 Uiso 1 1 calc R . .
H27C H 0.2690 -0.0165 0.2046 0.079 Uiso 1 1 calc R . .
Cl1 Cl 0.34091(14) 0.26259(5) 0.11981(10) 0.0431(3) Uani 1 1 d . . .
Cl2 Cl 0.10174(17) 0.33766(6) 0.21529(12) 0.0541(4) Uani 1 1 d . . .
N1 N 0.0497(5) 0.21358(17) 0.3189(3) 0.0396(10) Uani 1 1 d . . .
Pd1 Pd 0.17987(4) 0.239762(15) 0.21736(3) 0.03015(11) Uani 1 1 d . . .
Sb1 Sb 0.24464(3) 0.139596(12) 0.17878(2) 0.02630(10) Uani 1 1 d . . .


_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
C1 C6 1.382(6) . ?
C1 C2 1.395(6) . ?
C1 Sb1 2.131(4) . ?
C2 C3 1.386(7) . ?
C2 C7 1.509(7) . ?
C3 C4 1.379(7) . ?
C4 C5 1.360(7) . ?
C5 C6 1.374(7) . ?
C7 N1 1.508(6) . ?
C8 N1 1.497(7) . ?
C9 N1 1.484(6) . ?
C10 C15 1.401(6) . ?
C10 C11 1.403(6) . ?
C10 Sb1 2.133(4) . ?
C11 C12 1.388(7) . ?
C11 C16 1.501(6) . ?
C12 C13 1.383(7) . ?
C13 C14 1.385(7) . ?
C13 C17 1.504(7) . ?
C14 C15 1.392(6) . ?
C15 C18 1.509(6) . ?
C19 C24 1.389(7) . ?
C19 C20 1.404(7) . ?
C19 Sb1 2.147(4) . ?
C20 C21 1.396(7) . ?
C20 C25 1.503(7) . ?
C21 C22 1.375(8) . ?
C22 C23 1.381(8) . ?
C22 C26 1.511(7) . ?
C23 C24 1.399(7) . ?
C24 C27 1.511(7) . ?
Cl1 Pd1 2.3029(13) . ?
Cl2 Pd1 2.3769(13) . ?
N1 Pd1 2.133(4) . ?
Pd1 Sb1 2.4831(5) . ?

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
C6 C1 C2 119.8(4) . . ?
C6 C1 Sb1 122.7(3) . . ?
C2 C1 Sb1 117.3(3) . . ?
C3 C2 C1 117.8(4) . . ?
C3 C2 C7 119.0(4) . . ?
C1 C2 C7 123.2(4) . . ?
C4 C3 C2 121.5(5) . . ?
C5 C4 C3 120.2(5) . . ?
C4 C5 C6 119.4(5) . . ?
C5 C6 C1 121.2(5) . . ?
N1 C7 C2 116.5(4) . . ?
C15 C10 C11 120.4(4) . . ?
C15 C10 Sb1 122.8(3) . . ?
C11 C10 Sb1 116.4(3) . . ?
C12 C11 C10 118.1(4) . . ?
C12 C11 C16 116.8(4) . . ?
C10 C11 C16 125.1(4) . . ?
C13 C12 C11 122.7(5) . . ?
C12 C13 C14 117.9(4) . . ?
C12 C13 C17 121.0(5) . . ?
C14 C13 C17 121.0(5) . . ?
C13 C14 C15 121.9(4) . . ?
C14 C15 C10 118.8(4) . . ?
C14 C15 C18 118.7(4) . . ?
C10 C15 C18 122.4(4) . . ?
C24 C19 C20 120.7(4) . . ?
C24 C19 Sb1 120.2(4) . . ?
C20 C19 Sb1 118.6(3) . . ?
C21 C20 C19 118.0(5) . . ?
C21 C20 C25 117.5(5) . . ?
C19 C20 C25 124.5(4) . . ?
C22 C21 C20 122.4(5) . . ?
C21 C22 C23 118.4(5) . . ?
C21 C22 C26 120.6(6) . . ?
C23 C22 C26 121.0(6) . . ?
C22 C23 C24 121.7(5) . . ?
C19 C24 C23 118.8(5) . . ?
C19 C24 C27 124.1(4) . . ?
C23 C24 C27 117.1(5) . . ?
C9 N1 C8 108.4(4) . . ?
C9 N1 C7 105.3(4) . . ?
C8 N1 C7 109.0(4) . . ?
C9 N1 Pd1 106.5(3) . . ?
C8 N1 Pd1 110.2(3) . . ?
C7 N1 Pd1 117.0(3) . . ?
N1 Pd1 Cl1 173.96(12) . . ?
N1 Pd1 Cl2 92.60(11) . . ?
Cl1 Pd1 Cl2 91.51(5) . . ?
N1 Pd1 Sb1 94.55(11) . . ?
Cl1 Pd1 Sb1 82.12(3) . . ?
Cl2 Pd1 Sb1 168.34(4) . . ?
C1 Sb1 C10 103.64(17) . . ?
C1 Sb1 C19 100.23(17) . . ?
C10 Sb1 C19 115.40(16) . . ?
C1 Sb1 Pd1 103.49(12) . . ?
C10 Sb1 Pd1 110.42(11) . . ?
C19 Sb1 Pd1 120.68(13) . . ?

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

C6 C1 C2 C3 0.9(7) . . . . ?
Sb1 C1 C2 C3 176.5(3) . . . . ?
C6 C1 C2 C7 179.2(4) . . . . ?
Sb1 C1 C2 C7 -5.2(6) . . . . ?
C1 C2 C3 C4 1.0(7) . . . . ?
C7 C2 C3 C4 -177.4(5) . . . . ?
C2 C3 C4 C5 -1.6(8) . . . . ?
C3 C4 C5 C6 0.4(8) . . . . ?
C4 C5 C6 C1 1.5(8) . . . . ?
C2 C1 C6 C5 -2.1(7) . . . . ?
Sb1 C1 C6 C5 -177.5(4) . . . . ?
C3 C2 C7 N1 -110.1(5) . . . . ?
C1 C2 C7 N1 71.6(6) . . . . ?
C15 C10 C11 C12 4.3(7) . . . . ?
Sb1 C10 C11 C12 177.6(3) . . . . ?
C15 C10 C11 C16 -171.8(4) . . . . ?
Sb1 C10 C11 C16 1.5(6) . . . . ?
C10 C11 C12 C13 -2.3(7) . . . . ?
C16 C11 C12 C13 174.1(5) . . . . ?
C11 C12 C13 C14 -0.4(7) . . . . ?
C11 C12 C13 C17 -179.4(5) . . . . ?
C12 C13 C14 C15 1.2(7) . . . . ?
C17 C13 C14 C15 -179.8(5) . . . . ?
C13 C14 C15 C10 0.8(7) . . . . ?
C13 C14 C15 C18 -176.3(5) . . . . ?
C11 C10 C15 C14 -3.6(7) . . . . ?
Sb1 C10 C15 C14 -176.5(3) . . . . ?
C11 C10 C15 C18 173.4(4) . . . . ?
Sb1 C10 C15 C18 0.5(6) . . . . ?
C24 C19 C20 C21 -1.4(7) . . . . ?
Sb1 C19 C20 C21 170.6(4) . . . . ?
C24 C19 C20 C25 178.5(5) . . . . ?
Sb1 C19 C20 C25 -9.5(7) . . . . ?
C19 C20 C21 C22 0.8(8) . . . . ?
C25 C20 C21 C22 -179.0(5) . . . . ?
C20 C21 C22 C23 -0.2(8) . . . . ?
C20 C21 C22 C26 178.1(5) . . . . ?
C21 C22 C23 C24 0.1(7) . . . . ?
C26 C22 C23 C24 -178.2(5) . . . . ?
C20 C19 C24 C23 1.3(7) . . . . ?
Sb1 C19 C24 C23 -170.5(3) . . . . ?
C20 C19 C24 C27 -178.1(5) . . . . ?
Sb1 C19 C24 C27 10.1(6) . . . . ?
C22 C23 C24 C19 -0.6(7) . . . . ?
C22 C23 C24 C27 178.8(5) . . . . ?
C2 C7 N1 C9 169.0(4) . . . . ?
C2 C7 N1 C8 52.9(6) . . . . ?
C2 C7 N1 Pd1 -72.9(5) . . . . ?
C9 N1 Pd1 Cl2 -55.3(3) . . . . ?
C8 N1 Pd1 Cl2 62.1(3) . . . . ?
C7 N1 Pd1 Cl2 -172.8(3) . . . . ?
C9 N1 Pd1 Sb1 133.9(3) . . . . ?
C8 N1 Pd1 Sb1 -108.7(3) . . . . ?
C7 N1 Pd1 Sb1 16.5(3) . . . . ?
C6 C1 Sb1 C10 22.6(4) . . . . ?
C2 C1 Sb1 C10 -152.9(3) . . . . ?
C6 C1 Sb1 C19 -96.9(4) . . . . ?
C2 C1 Sb1 C19 87.6(4) . . . . ?
C6 C1 Sb1 Pd1 137.9(4) . . . . ?
C2 C1 Sb1 Pd1 -37.6(4) . . . . ?
C15 C10 Sb1 C1 -135.4(4) . . . . ?
C11 C10 Sb1 C1 51.5(4) . . . . ?
C15 C10 Sb1 C19 -26.8(4) . . . . ?
C11 C10 Sb1 C19 160.0(3) . . . . ?
C15 C10 Sb1 Pd1 114.4(3) . . . . ?
C11 C10 Sb1 Pd1 -58.7(3) . . . . ?
C24 C19 Sb1 C1 52.9(4) . . . . ?
C20 C19 Sb1 C1 -119.1(4) . . . . ?
C24 C19 Sb1 C10 -57.7(4) . . . . ?
C20 C19 Sb1 C10 130.3(4) . . . . ?
C24 C19 Sb1 Pd1 165.4(3) . . . . ?
C20 C19 Sb1 Pd1 -6.6(4) . . . . ?
N1 Pd1 Sb1 C1 26.68(17) . . . . ?
Cl1 Pd1 Sb1 C1 -158.39(13) . . . . ?
Cl2 Pd1 Sb1 C1 -101.0(2) . . . . ?
N1 Pd1 Sb1 C10 137.05(17) . . . . ?
Cl1 Pd1 Sb1 C10 -48.02(13) . . . . ?
Cl2 Pd1 Sb1 C10 9.4(2) . . . . ?
N1 Pd1 Sb1 C19 -84.09(18) . . . . ?
Cl1 Pd1 Sb1 C19 90.84(14) . . . . ?
Cl2 Pd1 Sb1 C19 148.2(2) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.986
_refine_diff_density_min         -0.691
_refine_diff_density_rms         0.095
_database_code_depnum_ccdc_archive 'CCDC 978909'
