# Supplementary Material (ESI) for New Journal of Chemistry
# This journal is © The Royal Society of Chemistry and 
# The Centre National de la Recherche Scientifique, 2003

data_global
_journal_name_full               'New J.Chem.(Nouv.J.Chim.)'

_journal_coden_Cambridge         0440

loop_
_publ_author_name
'Yan Voloshin'
'Mikhail Yu Antipin'
'Dmitry Kochubey'
'Boris N. Novgorodov'
'Aleksei V. Palchik'
;
N.G.Strizhakova
;
'Oleg A. Varzatskii'
'Ivan I. Vorontsov'

_publ_contact_author_name        'Prof Yan Voloshin'
_publ_contact_author_address     
;
Karpov Institute of Physical Chemistry
10, Vorontsovo Pole Str.
Moscow
105064
RUSSIAN FEDERATION
;

_publ_contact_author_email       VOLOSHIN@CC.NIFHI.AC.RU

_publ_section_title              
;
First trigonal-antiprismatic
tris-dichloroglyoximate iron(II) clathrochelate and its reactivity in
nucleophilic substitution reactions
;

_publ_section_references         
;
Bruker (1998a) SAINTPlus Data Reduction and Correction Program v. 6.01, Bruker
AXS, Madison, Wisconsin, USA.

Bruker (1998b) SMART. Bruker Molecular Analysis Research Tool,
v. 5.059. Bruker AXS, Madison, Wisconsin, USA.

Sheldrick G.M. (1998a). SADABS v.2.01, Bruker/Siemens Area Detector
Absorption Correction Program, Bruker AXS, Madison, Wisconsin, USA.

Sheldrick G.M. (1998b). SHELXTL v. 5.10, Structure Determination Software
Suite, Bruker AXS, Madison, Wisconsin, USA.
;

_publ_section_exptl_refinement   
;
There is a high positive residual density of 3.476 e\%A^-3^ near the Sn1
center due to considerable absorption effects which could not be completely
corrected
;

data_29jn
_database_code_CSD               192573

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            
;
Di(tetra(dimethylamido)phosphonium)(2+) 1,8-
Bis(trichlorostannato)-2,7,9,14,15,20-hexaoxa-3,6,10,13,16,19-hexaaza-
4,5,11,12,17,18-hexachlorobicyclo-(6.6.6)eicosa-3,5,10,12,16,18-hexaene
iron(ii) (2-)
;
_chemical_melting_point          ?
_chemical_formula_moiety         
;
C6 Cl12 Fe N6 O6 Sn2 2-, 2(C8 H24 N4 P 1+)
;
_chemical_formula_sum            'C22 H48 Cl12 Fe N14 O6 P2 Sn2'
_chemical_formula_weight         1385.31

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'
O O 0.0106 0.0060 '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'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   'P n a 2(1)'

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

_cell_length_a                   19.498(9)
_cell_length_b                   8.584(4)
_cell_length_c                   29.979(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     5018(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    74
_cell_measurement_theta_min      4
_cell_measurement_theta_max      24

_exptl_crystal_description       plate
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.834
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2744
_exptl_absorpt_coefficient_mu    2.026
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.421459
_exptl_absorpt_correction_T_max  0.694289
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1998a)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      120(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  'Bruker SMART 1000 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            49459
_diffrn_reflns_av_R_equivalents  0.0582
_diffrn_reflns_av_sigmaI/netI    0.0637
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_theta_min         2.09
_diffrn_reflns_theta_max         28.05
_reflns_number_total             12134
_reflns_number_gt                8142
_reflns_threshold_expression     I>2\s(I)

_computing_data_collection       'SMART (Bruker, 1998b)'
_computing_cell_refinement       'SAINTPlus (Bruker, 1998a)'
_computing_data_reduction        'SAINTPlus (Bruker, 1998a)'
_computing_structure_solution    'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_computing_structure_refinement  'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_computing_molecular_graphics    'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_computing_publication_material  'SHELXTL ver. 5.1 (Sheldrick, 1998b)'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F^2^ 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/[\s^2^(Fo^2^)+(0.0689P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.62(2)
_refine_ls_number_reflns         12134
_refine_ls_number_parameters     549
_refine_ls_number_restraints     10
_refine_ls_R_factor_all          0.0806
_refine_ls_R_factor_gt           0.0541
_refine_ls_wR_factor_ref         0.1269
_refine_ls_wR_factor_gt          0.1165
_refine_ls_goodness_of_fit_ref   0.927
_refine_ls_restrained_S_all      0.927
_refine_ls_shift/su_max          0.004
_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
Fe1 Fe 0.62490(6) 0.76472(8) 0.46944(4) 0.02422(14) Uani 1 1 d . . .
Sn1 Sn 0.56705(2) 0.77805(4) 0.354389(11) 0.03127(9) Uani 1 1 d . . .
Sn2 Sn 0.68346(2) 0.75264(4) 0.584020(11) 0.02792(9) Uani 1 1 d . . .
Cl1 Cl 0.57127(7) 1.24265(14) 0.42939(5) 0.0305(3) Uani 1 1 d . . .
Cl2 Cl 0.67806(8) 1.24114(14) 0.51274(5) 0.0293(3) Uani 1 1 d . . .
Cl3 Cl 0.80182(8) 0.65648(18) 0.38419(6) 0.0474(4) Uani 1 1 d . . .
Cl4 Cl 0.82007(7) 0.51827(18) 0.48400(6) 0.0473(4) Uani 1 1 d . . .
Cl5 Cl 0.43341(7) 0.51260(18) 0.44725(6) 0.0440(4) Uani 1 1 d . . .
Cl6 Cl 0.45018(7) 0.61194(18) 0.55098(5) 0.0433(4) Uani 1 1 d . . .
Cl7 Cl 0.58846(10) 0.99934(19) 0.30874(6) 0.0552(5) Uani 1 1 d . . .
Cl8 Cl 0.60261(8) 0.59745(19) 0.29935(5) 0.0493(4) Uani 1 1 d . . .
Cl9 Cl 0.44906(8) 0.76059(19) 0.33538(6) 0.0475(5) Uani 1 1 d . . .
Cl10 Cl 0.65245(7) 0.94556(19) 0.63698(5) 0.0419(4) Uani 1 1 d . . .
Cl11 Cl 0.65796(9) 0.5373(2) 0.63100(5) 0.0496(4) Uani 1 1 d . . .
Cl12 Cl 0.80227(8) 0.75969(16) 0.60164(6) 0.0368(4) Uani 1 1 d . . .
O1 O 0.53653(18) 0.9261(4) 0.40610(12) 0.0312(9) Uani 1 1 d . . .
O2 O 0.71052(19) 0.9233(4) 0.53600(13) 0.0325(10) Uani 1 1 d . . .
O3 O 0.66984(19) 0.8036(5) 0.37707(13) 0.0363(10) Uani 1 1 d . . .
O4 O 0.69888(19) 0.5793(4) 0.53565(12) 0.0321(10) Uani 1 1 d . . .
O5 O 0.55640(19) 0.5903(4) 0.39893(12) 0.0291(9) Uani 1 1 d . . .
O6 O 0.5811(2) 0.7723(4) 0.56333(15) 0.0328(10) Uani 1 1 d . . .
N1 N 0.5788(2) 0.9372(5) 0.44097(14) 0.0273(11) Uani 1 1 d . . .
N2 N 0.6672(2) 0.9344(5) 0.50105(14) 0.0279(11) Uani 1 1 d . . .
N3 N 0.6823(2) 0.7512(4) 0.41841(16) 0.0266(11) Uani 1 1 d . . .
N4 N 0.6942(2) 0.6322(5) 0.49300(15) 0.0300(11) Uani 1 1 d . . .
N5 N 0.5587(2) 0.6312(5) 0.44199(15) 0.0274(11) Uani 1 1 d . . .
N6 N 0.5673(2) 0.7286(5) 0.52039(17) 0.0246(11) Uani 1 1 d . . .
C1 C 0.5992(3) 1.0749(6) 0.45349(17) 0.0281(13) Uani 1 1 d . . .
C2 C 0.6491(3) 1.0736(6) 0.48938(18) 0.0273(13) Uani 1 1 d . . .
C3 C 0.7396(3) 0.6767(6) 0.42342(19) 0.0322(14) Uani 1 1 d . . .
C4 C 0.7485(3) 0.6097(6) 0.46752(19) 0.0327(14) Uani 1 1 d . . .
C5 C 0.5053(2) 0.5994(6) 0.46688(19) 0.0278(13) Uani 1 1 d . . .
C6 C 0.5113(3) 0.6511(6) 0.51256(18) 0.0319(14) Uani 1 1 d . . .
P1 P 0.42735(8) 1.19297(17) 0.63870(5) 0.0309(4) Uani 1 1 d . . .
N7 N 0.4702(2) 1.1717(6) 0.59337(16) 0.0402(13) Uani 1 1 d . . .
C7 C 0.5345(3) 1.2567(7) 0.5833(2) 0.0459(16) Uani 1 1 d . . .
H7A H 0.5330 1.2957 0.5526 0.069 Uiso 1 1 calc R . .
H7B H 0.5737 1.1861 0.5867 0.069 Uiso 1 1 calc R . .
H7C H 0.5395 1.3445 0.6040 0.069 Uiso 1 1 calc R . .
C8 C 0.4534(4) 1.0533(8) 0.5589(2) 0.0516(18) Uani 1 1 d . . .
H8A H 0.4433 1.1055 0.5306 0.077 Uiso 1 1 calc R . .
H8B H 0.4133 0.9932 0.5685 0.077 Uiso 1 1 calc R . .
H8C H 0.4925 0.9831 0.5550 0.077 Uiso 1 1 calc R . .
N8 N 0.3562(2) 1.2838(6) 0.63018(15) 0.0406(13) Uani 1 1 d . . .
C9 C 0.3188(3) 1.2713(7) 0.5871(2) 0.0447(17) Uani 1 1 d . . .
H9A H 0.2906 1.3645 0.5827 0.067 Uiso 1 1 calc R . .
H9B H 0.2893 1.1789 0.5876 0.067 Uiso 1 1 calc R . .
H9C H 0.3519 1.2623 0.5626 0.067 Uiso 1 1 calc R . .
C10 C 0.3141(3) 1.3520(8) 0.6665(2) 0.061(2) Uani 1 1 d . . .
H10A H 0.2958 1.4528 0.6569 0.092 Uiso 1 1 calc R . .
H10B H 0.3427 1.3666 0.6931 0.092 Uiso 1 1 calc R . .
H10C H 0.2761 1.2815 0.6736 0.092 Uiso 1 1 calc R . .
N9 N 0.4667(3) 1.2969(5) 0.67514(16) 0.0397(13) Uani 1 1 d . . .
C11 C 0.4676(3) 1.4679(7) 0.6737(2) 0.0464(16) Uani 1 1 d . . .
H11A H 0.4608 1.5093 0.7038 0.070 Uiso 1 1 calc R . .
H11B H 0.4307 1.5049 0.6542 0.070 Uiso 1 1 calc R . .
H11C H 0.5118 1.5036 0.6621 0.070 Uiso 1 1 calc R . .
C12 C 0.5169(3) 1.2294(7) 0.7055(2) 0.0475(18) Uani 1 1 d . . .
H12A H 0.5157 1.2855 0.7339 0.071 Uiso 1 1 calc R . .
H12B H 0.5628 1.2380 0.6924 0.071 Uiso 1 1 calc R . .
H12C H 0.5059 1.1194 0.7105 0.071 Uiso 1 1 calc R . .
N10 N 0.4138(3) 1.0182(5) 0.65721(17) 0.0427(14) Uani 1 1 d . . .
C13 C 0.4660(3) 0.8956(7) 0.6543(2) 0.056(2) Uani 1 1 d . . .
H13A H 0.4488 0.8105 0.6356 0.084 Uiso 1 1 calc R . .
H13B H 0.4760 0.8559 0.6842 0.084 Uiso 1 1 calc R . .
H13C H 0.5079 0.9385 0.6411 0.084 Uiso 1 1 calc R . .
C14 C 0.3576(4) 0.9836(7) 0.6868(2) 0.0527(19) Uani 1 1 d . . .
H14A H 0.3383 0.8816 0.6791 0.079 Uiso 1 1 calc R . .
H14B H 0.3221 1.0637 0.6836 0.079 Uiso 1 1 calc R . .
H14C H 0.3741 0.9818 0.7176 0.079 Uiso 1 1 calc R . .
P2 P 0.32008(7) 0.28052(17) 0.30664(6) 0.0340(4) Uani 1 1 d D . .
N11 N 0.2729(3) 0.2748(5) 0.35091(16) 0.0363(12) Uani 1 1 d . B .
C15 C 0.2102(3) 0.1850(8) 0.3545(3) 0.0572(19) Uani 1 1 d . . .
H15A H 0.2099 0.1281 0.3828 0.086 Uiso 1 1 calc R B .
H15B H 0.2076 0.1109 0.3297 0.086 Uiso 1 1 calc R . .
H15C H 0.1706 0.2554 0.3533 0.086 Uiso 1 1 calc R . .
C16 C 0.2851(4) 0.3872(8) 0.3884(2) 0.068(2) Uani 1 1 d . . .
H16A H 0.2430 0.4461 0.3942 0.103 Uiso 1 1 calc R B .
H16B H 0.3220 0.4592 0.3801 0.103 Uiso 1 1 calc R . .
H16C H 0.2983 0.3296 0.4152 0.103 Uiso 1 1 calc R . .
N12 N 0.2953(3) 0.1537(4) 0.2713(2) 0.0608(17) Uani 1 1 d D A .
C17 C 0.2381(4) 0.1787(11) 0.2410(3) 0.109(3) Uani 1 1 d D . .
H17A H 0.2037 0.0969 0.2454 0.163 Uiso 1 1 calc R B .
H17B H 0.2546 0.1756 0.2101 0.163 Uiso 1 1 calc R . .
H17C H 0.2174 0.2806 0.2470 0.163 Uiso 1 1 calc R . .
C18A C 0.3142(5) -0.0100(7) 0.2808(5) 0.130(9) Uiso 0.50 1 d PD A 1
H18A H 0.2990 -0.0377 0.3110 0.194 Uiso 0.50 1 calc PR A 1
H18B H 0.3640 -0.0220 0.2787 0.194 Uiso 0.50 1 calc PR A 1
H18C H 0.2919 -0.0788 0.2591 0.194 Uiso 0.50 1 calc PR A 1
C18B C 0.3361(4) 0.0116(9) 0.2671(5) 0.082(5) Uiso 0.50 1 d PD A 2
H18D H 0.3062 -0.0794 0.2705 0.123 Uiso 0.50 1 calc PR A 2
H18E H 0.3715 0.0100 0.2903 0.123 Uiso 0.50 1 calc PR A 2
H18F H 0.3579 0.0089 0.2377 0.123 Uiso 0.50 1 calc PR A 2
N13A N 0.3983(2) 0.2181(9) 0.30951(16) 0.045(3) Uiso 0.50 1 d PD B 1
C19A C 0.4418(5) 0.1706(15) 0.2717(3) 0.055(4) Uiso 0.50 1 d PD B 1
H19A H 0.4661 0.0741 0.2792 0.083 Uiso 0.50 1 calc PR B 1
H19B H 0.4752 0.2529 0.2652 0.083 Uiso 0.50 1 calc PR B 1
H19C H 0.4130 0.1530 0.2453 0.083 Uiso 0.50 1 calc PR B 1
C20A C 0.4376(5) 0.2371(12) 0.3510(2) 0.038(3) Uiso 0.50 1 d PD B 1
H20A H 0.4685 0.1480 0.3548 0.057 Uiso 0.50 1 calc PR B 1
H20B H 0.4060 0.2425 0.3763 0.057 Uiso 0.50 1 calc PR B 1
H20C H 0.4645 0.3333 0.3495 0.057 Uiso 0.50 1 calc PR B 1
N13B N 0.39450(19) 0.2819(7) 0.33040(18) 0.029(2) Uiso 0.50 1 d PD B 2
C19B C 0.4547(4) 0.3541(14) 0.3094(4) 0.065(4) Uiso 0.50 1 d PD B 2
H19D H 0.4845 0.3983 0.3325 0.097 Uiso 0.50 1 calc PR B 2
H19E H 0.4398 0.4370 0.2891 0.097 Uiso 0.50 1 calc PR B 2
H19F H 0.4801 0.2751 0.2925 0.097 Uiso 0.50 1 calc PR B 2
C20B C 0.4158(5) 0.1776(9) 0.3667(3) 0.031(3) Uiso 0.50 1 d PD B 2
H20D H 0.4320 0.2397 0.3920 0.047 Uiso 0.50 1 calc PR B 2
H20E H 0.4529 0.1098 0.3563 0.047 Uiso 0.50 1 calc PR B 2
H20F H 0.3767 0.1137 0.3761 0.047 Uiso 0.50 1 calc PR B 2
N14 N 0.3133(3) 0.4489(6) 0.28345(17) 0.0505(15) Uani 1 1 d . B .
C21 C 0.2706(4) 0.5757(8) 0.2948(3) 0.072(2) Uani 1 1 d . . .
H21A H 0.2422 0.5476 0.3205 0.108 Uiso 1 1 calc R B .
H21B H 0.2411 0.6014 0.2694 0.108 Uiso 1 1 calc R . .
H21C H 0.2991 0.6662 0.3023 0.108 Uiso 1 1 calc R . .
C22A C 0.3749(8) 0.5178(19) 0.2541(6) 0.072(5) Uiso 0.50 1 d P B 1
H22A H 0.3637 0.6241 0.2447 0.108 Uiso 0.50 1 calc PR B 1
H22B H 0.3817 0.4523 0.2277 0.108 Uiso 0.50 1 calc PR B 1
H22C H 0.4171 0.5190 0.2719 0.108 Uiso 0.50 1 calc PR B 1
C22B C 0.3304(6) 0.4580(15) 0.2352(4) 0.047(3) Uiso 0.50 1 d P B 2
H22D H 0.3477 0.5624 0.2282 0.071 Uiso 0.50 1 calc PR B 2
H22E H 0.2892 0.4371 0.2175 0.071 Uiso 0.50 1 calc PR B 2
H22F H 0.3657 0.3805 0.2281 0.071 Uiso 0.50 1 calc PR B 2

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Fe1 0.0245(3) 0.0285(3) 0.0197(3) -0.0017(3) -0.0009(2) 0.0007(3)
Sn1 0.0307(2) 0.04201(18) 0.02112(19) -0.00589(17) -0.00283(18) 0.00348(16)
Sn2 0.02605(18) 0.03670(17) 0.02102(19) 0.00173(16) -0.00119(18) -0.00067(15)
Cl1 0.0366(8) 0.0272(6) 0.0276(7) 0.0005(5) -0.0071(6) 0.0042(5)
Cl2 0.0347(8) 0.0293(6) 0.0240(7) -0.0020(5) -0.0054(6) -0.0038(5)
Cl3 0.0450(8) 0.0546(9) 0.0427(9) 0.0000(7) 0.0141(7) 0.0113(7)
Cl4 0.0383(8) 0.0543(9) 0.0494(9) 0.0078(7) 0.0012(7) 0.0174(7)
Cl5 0.0297(7) 0.0538(8) 0.0486(9) -0.0194(7) -0.0010(7) -0.0108(7)
Cl6 0.0361(7) 0.0543(8) 0.0396(8) -0.0073(7) 0.0092(6) -0.0097(7)
Cl7 0.0820(12) 0.0528(9) 0.0308(8) 0.0079(7) -0.0062(8) -0.0011(9)
Cl8 0.0484(9) 0.0658(10) 0.0338(8) -0.0208(7) -0.0041(7) 0.0168(8)
Cl9 0.0345(8) 0.0703(10) 0.0379(9) -0.0240(7) -0.0114(7) 0.0149(7)
Cl10 0.0360(8) 0.0581(9) 0.0315(8) -0.0161(7) -0.0054(6) 0.0057(7)
Cl11 0.0507(9) 0.0592(9) 0.0389(9) 0.0197(7) 0.0048(7) -0.0110(8)
Cl12 0.0267(8) 0.0513(8) 0.0322(8) 0.0102(6) -0.0041(7) -0.0013(6)
O1 0.0327(19) 0.041(2) 0.0198(19) -0.0051(16) -0.0082(16) 0.0017(17)
O2 0.037(2) 0.0302(18) 0.030(2) 0.0050(16) -0.0120(18) -0.0051(16)
O3 0.035(2) 0.059(2) 0.0151(19) 0.0034(18) -0.0011(17) -0.0066(19)
O4 0.046(2) 0.0246(17) 0.026(2) 0.0054(16) -0.0063(18) -0.0029(16)
O5 0.044(2) 0.0223(17) 0.0210(19) -0.0041(15) -0.0074(17) -0.0009(15)
O6 0.0232(19) 0.041(2) 0.034(2) -0.0071(17) -0.0043(17) -0.0009(16)
N1 0.033(2) 0.032(2) 0.017(2) -0.0049(17) -0.0008(19) 0.0037(19)
N2 0.030(2) 0.035(2) 0.020(2) 0.0035(19) -0.0095(19) -0.0085(19)
N3 0.032(3) 0.025(2) 0.023(2) 0.0034(18) -0.002(2) -0.0018(18)
N4 0.037(3) 0.029(2) 0.023(2) 0.0015(18) -0.004(2) -0.002(2)
N5 0.032(2) 0.023(2) 0.028(2) -0.0022(17) 0.006(2) -0.0021(18)
N6 0.021(2) 0.029(2) 0.024(3) -0.0015(17) -0.002(2) -0.0031(18)
C1 0.035(3) 0.024(2) 0.025(3) -0.003(2) 0.000(2) 0.007(2)
C2 0.030(3) 0.027(3) 0.025(3) 0.000(2) 0.001(2) -0.003(2)
C3 0.028(3) 0.036(3) 0.032(3) -0.006(2) 0.004(2) 0.001(2)
C4 0.033(3) 0.029(3) 0.036(3) 0.001(2) 0.002(3) 0.000(2)
C5 0.019(2) 0.027(2) 0.038(3) -0.006(2) -0.002(2) -0.004(2)
C6 0.037(3) 0.034(3) 0.024(3) -0.004(2) 0.006(2) 0.001(2)
P1 0.0330(8) 0.0335(7) 0.0262(7) -0.0026(6) -0.0042(6) 0.0038(6)
N7 0.038(3) 0.047(3) 0.036(3) -0.010(2) 0.000(2) -0.001(2)
C7 0.050(4) 0.059(3) 0.029(3) 0.001(3) 0.003(3) 0.003(3)
C8 0.068(4) 0.053(4) 0.033(4) -0.008(3) 0.000(3) 0.016(3)
N8 0.038(3) 0.065(3) 0.019(2) -0.007(2) -0.005(2) 0.019(2)
C9 0.042(3) 0.060(4) 0.032(3) -0.002(3) -0.018(3) 0.010(3)
C10 0.052(4) 0.081(5) 0.051(5) -0.005(4) 0.011(3) 0.034(4)
N9 0.055(3) 0.037(2) 0.027(3) 0.002(2) -0.007(2) 0.001(2)
C11 0.061(4) 0.045(3) 0.033(3) -0.012(3) 0.002(3) -0.015(3)
C12 0.045(3) 0.058(4) 0.040(4) -0.001(3) -0.024(3) -0.006(3)
N10 0.057(3) 0.030(2) 0.041(3) -0.001(2) -0.006(3) 0.000(2)
C13 0.060(4) 0.036(3) 0.072(5) 0.003(3) -0.018(4) 0.017(3)
C14 0.078(5) 0.051(4) 0.029(3) -0.004(3) -0.002(3) -0.008(3)
P2 0.0286(8) 0.0413(8) 0.0322(9) 0.0023(7) -0.0047(6) 0.0016(6)
N11 0.045(3) 0.045(2) 0.019(2) -0.006(2) -0.001(2) 0.010(2)
C15 0.066(4) 0.053(4) 0.053(4) 0.007(4) 0.034(4) 0.004(3)
C16 0.084(5) 0.077(4) 0.045(4) -0.037(3) -0.025(4) 0.049(4)
N12 0.075(4) 0.045(3) 0.062(4) -0.010(3) 0.040(3) -0.011(3)
C17 0.086(6) 0.173(8) 0.067(6) -0.068(6) -0.002(5) -0.067(6)
N14 0.066(3) 0.049(3) 0.036(3) 0.021(2) 0.025(3) 0.018(3)
C21 0.094(6) 0.050(4) 0.072(5) 0.024(4) 0.021(5) 0.030(4)

_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 N3 1.899(5) . ?
Fe1 N4 1.902(4) . ?
Fe1 N5 1.912(4) . ?
Fe1 N6 1.921(5) . ?
Fe1 N2 1.923(4) . ?
Fe1 N1 1.930(4) . ?
Sn1 O1 2.091(4) . ?
Sn1 O5 2.103(4) . ?
Sn1 O3 2.128(4) . ?
Sn1 Cl8 2.3679(17) . ?
Sn1 Cl9 2.3748(19) . ?
Sn1 Cl7 2.3781(18) . ?
Sn2 O6 2.096(4) . ?
Sn2 O4 2.099(4) . ?
Sn2 O2 2.121(4) . ?
Sn2 Cl10 2.3726(17) . ?
Sn2 Cl11 2.3767(18) . ?
Sn2 Cl12 2.3768(19) . ?
Cl1 C1 1.701(5) . ?
Cl2 C2 1.696(5) . ?
Cl3 C3 1.699(6) . ?
Cl4 C4 1.676(6) . ?
Cl5 C5 1.693(5) . ?
Cl6 C6 1.692(6) . ?
O1 N1 1.335(5) . ?
O2 N2 1.349(5) . ?
O3 N3 1.341(6) . ?
O4 N4 1.360(6) . ?
O5 N5 1.339(6) . ?
O6 N6 1.367(6) . ?
N1 C1 1.302(7) . ?
N2 C2 1.295(6) . ?
N3 C3 1.296(7) . ?
N4 C4 1.320(7) . ?
N5 C5 1.310(7) . ?
N6 C6 1.300(7) . ?
C1 C2 1.451(7) . ?
C3 C4 1.452(8) . ?
C5 C6 1.444(7) . ?
P1 N7 1.605(5) . ?
P1 N9 1.605(5) . ?
P1 N8 1.613(5) . ?
P1 N10 1.621(5) . ?
N7 C7 1.483(8) . ?
N7 C8 1.485(8) . ?
N8 C10 1.483(8) . ?
N8 C9 1.487(7) . ?
N9 C12 1.456(8) . ?
N9 C11 1.468(7) . ?
N10 C14 1.440(8) . ?
N10 C13 1.466(8) . ?
P2 N12 1.594(5) . ?
P2 N14 1.610(5) . ?
P2 N11 1.616(5) . ?
P2 N13B 1.616(4) . ?
P2 N13A 1.620(4) . ?
N11 C15 1.449(8) . ?
N11 C16 1.499(8) . ?
N12 C17 1.455(10) . ?
N12 C18B 1.461(5) . ?
N12 C18A 1.480(4) . ?
N13A C20A 1.469(5) . ?
N13A C19A 1.473(5) . ?
N13B C19B 1.469(5) . ?
N13B C20B 1.470(5) . ?
N14 C21 1.411(8) . ?
N14 C22B 1.487(13) . ?
N14 C22A 1.603(16) . ?

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
N3 Fe1 N4 81.03(19) . . ?
N3 Fe1 N5 90.83(19) . . ?
N4 Fe1 N5 106.29(17) . . ?
N3 Fe1 N6 167.21(17) . . ?
N4 Fe1 N6 91.33(19) . . ?
N5 Fe1 N6 81.43(19) . . ?
N3 Fe1 N2 100.97(19) . . ?
N4 Fe1 N2 88.00(19) . . ?
N5 Fe1 N2 162.83(19) . . ?
N6 Fe1 N2 88.92(19) . . ?
N3 Fe1 N1 88.00(18) . . ?
N4 Fe1 N1 162.42(19) . . ?
N5 Fe1 N1 87.45(19) . . ?
N6 Fe1 N1 101.73(18) . . ?
N2 Fe1 N1 80.61(17) . . ?
O1 Sn1 O5 88.11(15) . . ?
O1 Sn1 O3 88.20(15) . . ?
O5 Sn1 O3 88.22(15) . . ?
O1 Sn1 Cl8 176.27(11) . . ?
O5 Sn1 Cl8 88.27(11) . . ?
O3 Sn1 Cl8 90.82(12) . . ?
O1 Sn1 Cl9 86.60(11) . . ?
O5 Sn1 Cl9 90.48(11) . . ?
O3 Sn1 Cl9 174.68(11) . . ?
Cl8 Sn1 Cl9 94.30(6) . . ?
O1 Sn1 Cl7 89.49(11) . . ?
O5 Sn1 Cl7 174.13(11) . . ?
O3 Sn1 Cl7 86.35(12) . . ?
Cl8 Sn1 Cl7 94.05(7) . . ?
Cl9 Sn1 Cl7 94.72(6) . . ?
O6 Sn2 O4 89.36(15) . . ?
O6 Sn2 O2 88.88(15) . . ?
O4 Sn2 O2 89.14(15) . . ?
O6 Sn2 Cl10 84.23(12) . . ?
O4 Sn2 Cl10 173.45(11) . . ?
O2 Sn2 Cl10 92.04(11) . . ?
O6 Sn2 Cl11 92.22(12) . . ?
O4 Sn2 Cl11 83.57(11) . . ?
O2 Sn2 Cl11 172.62(11) . . ?
Cl10 Sn2 Cl11 95.34(7) . . ?
O6 Sn2 Cl12 172.49(12) . . ?
O4 Sn2 Cl12 91.84(11) . . ?
O2 Sn2 Cl12 83.73(11) . . ?
Cl10 Sn2 Cl12 94.69(6) . . ?
Cl11 Sn2 Cl12 95.28(6) . . ?
N1 O1 Sn1 116.6(3) . . ?
N2 O2 Sn2 114.8(3) . . ?
N3 O3 Sn1 115.6(3) . . ?
N4 O4 Sn2 113.8(3) . . ?
N5 O5 Sn1 114.1(3) . . ?
N6 O6 Sn2 116.4(3) . . ?
C1 N1 O1 118.6(4) . . ?
C1 N1 Fe1 115.3(4) . . ?
O1 N1 Fe1 125.4(3) . . ?
C2 N2 O2 116.4(4) . . ?
C2 N2 Fe1 116.7(4) . . ?
O2 N2 Fe1 126.7(3) . . ?
C3 N3 O3 115.4(5) . . ?
C3 N3 Fe1 116.4(4) . . ?
O3 N3 Fe1 128.1(3) . . ?
C4 N4 O4 116.2(4) . . ?
C4 N4 Fe1 116.3(4) . . ?
O4 N4 Fe1 126.6(3) . . ?
C5 N5 O5 117.9(4) . . ?
C5 N5 Fe1 114.6(4) . . ?
O5 N5 Fe1 126.5(3) . . ?
C6 N6 O6 118.4(5) . . ?
C6 N6 Fe1 115.5(4) . . ?
O6 N6 Fe1 126.1(3) . . ?
N1 C1 C2 114.3(5) . . ?
N1 C1 Cl1 123.3(4) . . ?
C2 C1 Cl1 122.4(4) . . ?
N2 C2 C1 113.0(5) . . ?
N2 C2 Cl2 125.5(4) . . ?
C1 C2 Cl2 121.5(4) . . ?
N3 C3 C4 113.8(5) . . ?
N3 C3 Cl3 125.8(5) . . ?
C4 C3 Cl3 120.3(4) . . ?
N4 C4 C3 111.9(5) . . ?
N4 C4 Cl4 124.5(4) . . ?
C3 C4 Cl4 123.6(4) . . ?
N5 C5 C6 114.3(5) . . ?
N5 C5 Cl5 123.5(4) . . ?
C6 C5 Cl5 122.2(4) . . ?
N6 C6 C5 113.4(5) . . ?
N6 C6 Cl6 124.8(4) . . ?
C5 C6 Cl6 121.8(4) . . ?
N7 P1 N9 113.0(3) . . ?
N7 P1 N8 111.6(3) . . ?
N9 P1 N8 104.5(3) . . ?
N7 P1 N10 105.6(3) . . ?
N9 P1 N10 111.1(3) . . ?
N8 P1 N10 111.2(3) . . ?
C7 N7 C8 112.4(5) . . ?
C7 N7 P1 123.8(4) . . ?
C8 N7 P1 123.5(4) . . ?
C10 N8 C9 113.3(5) . . ?
C10 N8 P1 123.4(4) . . ?
C9 N8 P1 121.7(4) . . ?
C12 N9 C11 114.1(5) . . ?
C12 N9 P1 121.7(4) . . ?
C11 N9 P1 122.7(4) . . ?
C14 N10 C13 114.6(5) . . ?
C14 N10 P1 121.7(4) . . ?
C13 N10 P1 122.0(4) . . ?
N12 P2 N14 107.6(3) . . ?
N12 P2 N11 110.7(3) . . ?
N14 P2 N11 109.6(3) . . ?
N12 P2 N13B 124.7(3) . . ?
N14 P2 N13B 104.9(3) . . ?
N11 P2 N13B 98.6(3) . . ?
N12 P2 N13A 95.4(3) . . ?
N14 P2 N13A 113.4(3) . . ?
N11 P2 N13A 118.9(3) . . ?
N13B P2 N13A 29.9(3) . . ?
C15 N11 C16 114.9(5) . . ?
C15 N11 P2 123.9(4) . . ?
C16 N11 P2 120.3(4) . . ?
C17 N12 C18B 119.1(7) . . ?
C17 N12 C18A 116.8(6) . . ?
C18B N12 C18A 24.4(7) . . ?
C17 N12 P2 123.1(4) . . ?
C18B N12 P2 117.6(6) . . ?
C18A N12 P2 116.4(6) . . ?
C20A N13A C19A 112.5(6) . . ?
C20A N13A P2 119.9(5) . . ?
C19A N13A P2 126.3(5) . . ?
C19B N13B C20B 110.4(7) . . ?
C19B N13B P2 122.1(6) . . ?
C20B N13B P2 125.2(5) . . ?
C21 N14 C22B 109.0(7) . . ?
C21 N14 C22A 106.8(7) . . ?
C22B N14 C22A 43.8(7) . . ?
C21 N14 P2 129.6(5) . . ?
C22B N14 P2 116.7(6) . . ?
C22A N14 P2 120.5(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
O5 Sn1 O1 N1 65.7(3) . . . . ?
O3 Sn1 O1 N1 -22.5(3) . . . . ?
Cl8 Sn1 O1 N1 52.2(18) . . . . ?
Cl9 Sn1 O1 N1 156.3(3) . . . . ?
Cl7 Sn1 O1 N1 -108.9(3) . . . . ?
O6 Sn2 O2 N2 -24.9(3) . . . . ?
O4 Sn2 O2 N2 64.5(3) . . . . ?
Cl10 Sn2 O2 N2 -109.1(3) . . . . ?
Cl11 Sn2 O2 N2 73.8(9) . . . . ?
Cl12 Sn2 O2 N2 156.4(3) . . . . ?
O1 Sn1 O3 N3 62.5(3) . . . . ?
O5 Sn1 O3 N3 -25.7(3) . . . . ?
Cl8 Sn1 O3 N3 -113.9(3) . . . . ?
Cl9 Sn1 O3 N3 50.2(15) . . . . ?
Cl7 Sn1 O3 N3 152.1(3) . . . . ?
O6 Sn2 O4 N4 66.5(3) . . . . ?
O2 Sn2 O4 N4 -22.4(3) . . . . ?
Cl10 Sn2 O4 N4 78.0(10) . . . . ?
Cl11 Sn2 O4 N4 158.8(3) . . . . ?
Cl12 Sn2 O4 N4 -106.1(3) . . . . ?
O1 Sn1 O5 N5 -21.1(3) . . . . ?
O3 Sn1 O5 N5 67.1(3) . . . . ?
Cl8 Sn1 O5 N5 158.0(3) . . . . ?
Cl9 Sn1 O5 N5 -107.7(3) . . . . ?
Cl7 Sn1 O5 N5 44.7(12) . . . . ?
O4 Sn2 O6 N6 -25.1(3) . . . . ?
O2 Sn2 O6 N6 64.1(3) . . . . ?
Cl10 Sn2 O6 N6 156.2(3) . . . . ?
Cl11 Sn2 O6 N6 -108.6(3) . . . . ?
Cl12 Sn2 O6 N6 74.1(10) . . . . ?
Sn1 O1 N1 C1 126.3(4) . . . . ?
Sn1 O1 N1 Fe1 -43.3(5) . . . . ?
N3 Fe1 N1 C1 -97.8(4) . . . . ?
N4 Fe1 N1 C1 -46.6(8) . . . . ?
N5 Fe1 N1 C1 171.3(4) . . . . ?
N6 Fe1 N1 C1 90.6(4) . . . . ?
N2 Fe1 N1 C1 3.7(4) . . . . ?
N3 Fe1 N1 O1 72.1(4) . . . . ?
N4 Fe1 N1 O1 123.2(6) . . . . ?
N5 Fe1 N1 O1 -18.8(4) . . . . ?
N6 Fe1 N1 O1 -99.5(4) . . . . ?
N2 Fe1 N1 O1 173.5(4) . . . . ?
Sn2 O2 N2 C2 134.2(4) . . . . ?
Sn2 O2 N2 Fe1 -41.3(5) . . . . ?
N3 Fe1 N2 C2 84.4(4) . . . . ?
N4 Fe1 N2 C2 164.8(4) . . . . ?
N5 Fe1 N2 C2 -48.3(9) . . . . ?
N6 Fe1 N2 C2 -103.8(4) . . . . ?
N1 Fe1 N2 C2 -1.7(4) . . . . ?
N3 Fe1 N2 O2 -100.1(4) . . . . ?
N4 Fe1 N2 O2 -19.7(4) . . . . ?
N5 Fe1 N2 O2 127.2(6) . . . . ?
N6 Fe1 N2 O2 71.7(4) . . . . ?
N1 Fe1 N2 O2 173.8(4) . . . . ?
Sn1 O3 N3 C3 138.8(4) . . . . ?
Sn1 O3 N3 Fe1 -38.1(5) . . . . ?
N4 Fe1 N3 C3 -5.2(4) . . . . ?
N5 Fe1 N3 C3 -111.5(4) . . . . ?
N6 Fe1 N3 C3 -59.1(13) . . . . ?
N2 Fe1 N3 C3 81.0(4) . . . . ?
N1 Fe1 N3 C3 161.0(4) . . . . ?
N4 Fe1 N3 O3 171.7(4) . . . . ?
N5 Fe1 N3 O3 65.3(4) . . . . ?
N6 Fe1 N3 O3 117.8(10) . . . . ?
N2 Fe1 N3 O3 -102.1(4) . . . . ?
N1 Fe1 N3 O3 -22.1(4) . . . . ?
Sn2 O4 N4 C4 122.5(4) . . . . ?
Sn2 O4 N4 Fe1 -46.0(4) . . . . ?
N3 Fe1 N4 C4 7.1(4) . . . . ?
N5 Fe1 N4 C4 95.3(4) . . . . ?
N6 Fe1 N4 C4 176.8(4) . . . . ?
N2 Fe1 N4 C4 -94.3(4) . . . . ?
N1 Fe1 N4 C4 -44.9(8) . . . . ?
N3 Fe1 N4 O4 175.6(4) . . . . ?
N5 Fe1 N4 O4 -96.2(4) . . . . ?
N6 Fe1 N4 O4 -14.7(4) . . . . ?
N2 Fe1 N4 O4 74.2(4) . . . . ?
N1 Fe1 N4 O4 123.6(6) . . . . ?
Sn1 O5 N5 C5 120.4(4) . . . . ?
Sn1 O5 N5 Fe1 -47.5(4) . . . . ?
N3 Fe1 N5 C5 178.3(4) . . . . ?
N4 Fe1 N5 C5 97.4(4) . . . . ?
N6 Fe1 N5 C5 8.5(4) . . . . ?
N2 Fe1 N5 C5 -48.0(9) . . . . ?
N1 Fe1 N5 C5 -93.8(4) . . . . ?
N3 Fe1 N5 O5 -13.5(4) . . . . ?
N4 Fe1 N5 O5 -94.4(4) . . . . ?
N6 Fe1 N5 O5 176.7(4) . . . . ?
N2 Fe1 N5 O5 120.3(7) . . . . ?
N1 Fe1 N5 O5 74.5(4) . . . . ?
Sn2 O6 N6 C6 139.6(4) . . . . ?
Sn2 O6 N6 Fe1 -38.1(5) . . . . ?
N3 Fe1 N6 C6 -59.7(13) . . . . ?
N4 Fe1 N6 C6 -112.6(4) . . . . ?
N5 Fe1 N6 C6 -6.3(4) . . . . ?
N2 Fe1 N6 C6 159.4(4) . . . . ?
N1 Fe1 N6 C6 79.2(4) . . . . ?
N3 Fe1 N6 O6 118.1(10) . . . . ?
N4 Fe1 N6 O6 65.2(4) . . . . ?
N5 Fe1 N6 O6 171.4(4) . . . . ?
N2 Fe1 N6 O6 -22.8(4) . . . . ?
N1 Fe1 N6 O6 -103.0(4) . . . . ?
O1 N1 C1 C2 -175.4(4) . . . . ?
Fe1 N1 C1 C2 -4.8(5) . . . . ?
O1 N1 C1 Cl1 3.4(7) . . . . ?
Fe1 N1 C1 Cl1 174.0(3) . . . . ?
O2 N2 C2 C1 -176.3(4) . . . . ?
Fe1 N2 C2 C1 -0.3(6) . . . . ?
O2 N2 C2 Cl2 2.9(7) . . . . ?
Fe1 N2 C2 Cl2 178.9(3) . . . . ?
N1 C1 C2 N2 3.3(6) . . . . ?
Cl1 C1 C2 N2 -175.5(4) . . . . ?
N1 C1 C2 Cl2 -175.9(4) . . . . ?
Cl1 C1 C2 Cl2 5.3(6) . . . . ?
O3 N3 C3 C4 -174.7(4) . . . . ?
Fe1 N3 C3 C4 2.6(6) . . . . ?
O3 N3 C3 Cl3 6.4(7) . . . . ?
Fe1 N3 C3 Cl3 -176.4(3) . . . . ?
O4 N4 C4 C3 -177.2(4) . . . . ?
Fe1 N4 C4 C3 -7.5(6) . . . . ?
O4 N4 C4 Cl4 1.5(7) . . . . ?
Fe1 N4 C4 Cl4 171.2(3) . . . . ?
N3 C3 C4 N4 3.2(7) . . . . ?
Cl3 C3 C4 N4 -177.8(4) . . . . ?
N3 C3 C4 Cl4 -175.6(4) . . . . ?
Cl3 C3 C4 Cl4 3.4(7) . . . . ?
O5 N5 C5 C6 -178.4(4) . . . . ?
Fe1 N5 C5 C6 -9.1(6) . . . . ?
O5 N5 C5 Cl5 -1.0(7) . . . . ?
Fe1 N5 C5 Cl5 168.3(3) . . . . ?
O6 N6 C6 C5 -174.8(4) . . . . ?
Fe1 N6 C6 C5 3.2(6) . . . . ?
O6 N6 C6 Cl6 5.3(7) . . . . ?
Fe1 N6 C6 Cl6 -176.7(3) . . . . ?
N5 C5 C6 N6 3.9(7) . . . . ?
Cl5 C5 C6 N6 -173.6(4) . . . . ?
N5 C5 C6 Cl6 -176.2(4) . . . . ?
Cl5 C5 C6 Cl6 6.3(7) . . . . ?
N9 P1 N7 C7 -8.3(6) . . . . ?
N8 P1 N7 C7 109.2(5) . . . . ?
N10 P1 N7 C7 -129.9(5) . . . . ?
N9 P1 N7 C8 165.4(4) . . . . ?
N8 P1 N7 C8 -77.2(5) . . . . ?
N10 P1 N7 C8 43.8(5) . . . . ?
N7 P1 N8 C10 -165.3(5) . . . . ?
N9 P1 N8 C10 -42.8(6) . . . . ?
N10 P1 N8 C10 77.0(6) . . . . ?
N7 P1 N8 C9 30.4(6) . . . . ?
N9 P1 N8 C9 152.9(5) . . . . ?
N10 P1 N8 C9 -87.2(5) . . . . ?
N7 P1 N9 C12 -84.8(5) . . . . ?
N8 P1 N9 C12 153.7(5) . . . . ?
N10 P1 N9 C12 33.7(6) . . . . ?
N7 P1 N9 C11 80.4(5) . . . . ?
N8 P1 N9 C11 -41.1(5) . . . . ?
N10 P1 N9 C11 -161.1(5) . . . . ?
N7 P1 N10 C14 -156.5(5) . . . . ?
N9 P1 N10 C14 80.6(5) . . . . ?
N8 P1 N10 C14 -35.3(6) . . . . ?
N7 P1 N10 C13 38.8(6) . . . . ?
N9 P1 N10 C13 -84.0(5) . . . . ?
N8 P1 N10 C13 160.1(5) . . . . ?
N12 P2 N11 C15 -9.5(6) . . . . ?
N14 P2 N11 C15 108.9(5) . . . . ?
N13B P2 N11 C15 -141.8(5) . . . . ?
N13A P2 N11 C15 -118.4(6) . . . . ?
N12 P2 N11 C16 -178.1(4) . . . . ?
N14 P2 N11 C16 -59.7(5) . . . . ?
N13B P2 N11 C16 49.6(5) . . . . ?
N13A P2 N11 C16 73.0(6) . . . . ?
N14 P2 N12 C17 -37.9(6) . . . . ?
N11 P2 N12 C17 81.8(6) . . . . ?
N13B P2 N12 C17 -161.1(5) . . . . ?
N13A P2 N12 C17 -154.6(6) . . . . ?
N14 P2 N12 C18B 137.0(7) . . . . ?
N11 P2 N12 C18B -103.4(7) . . . . ?
N13B P2 N12 C18B 13.7(8) . . . . ?
N13A P2 N12 C18B 20.3(7) . . . . ?
N14 P2 N12 C18A 164.4(6) . . . . ?
N11 P2 N12 C18A -76.0(7) . . . . ?
N13B P2 N12 C18A 41.2(7) . . . . ?
N13A P2 N12 C18A 47.7(7) . . . . ?
N12 P2 N13A C20A -150.2(7) . . . . ?
N14 P2 N13A C20A 98.0(7) . . . . ?
N11 P2 N13A C20A -33.0(8) . . . . ?
N13B P2 N13A C20A 18.9(6) . . . . ?
N12 P2 N13A C19A 43.4(9) . . . . ?
N14 P2 N13A C19A -68.4(9) . . . . ?
N11 P2 N13A C19A 160.6(8) . . . . ?
N13B P2 N13A C19A -147.4(13) . . . . ?
N12 P2 N13B C19B 85.2(8) . . . . ?
N14 P2 N13B C19B -39.1(8) . . . . ?
N11 P2 N13B C19B -152.2(7) . . . . ?
N13A P2 N13B C19B 72.1(9) . . . . ?
N12 P2 N13B C20B -75.7(7) . . . . ?
N14 P2 N13B C20B 160.0(6) . . . . ?
N11 P2 N13B C20B 46.9(7) . . . . ?
N13A P2 N13B C20B -88.8(9) . . . . ?
N12 P2 N14 C21 115.5(7) . . . . ?
N11 P2 N14 C21 -4.8(7) . . . . ?
N13B P2 N14 C21 -109.9(7) . . . . ?
N13A P2 N14 C21 -140.3(7) . . . . ?
N12 P2 N14 C22B -37.2(7) . . . . ?
N11 P2 N14 C22B -157.6(6) . . . . ?
N13B P2 N14 C22B 97.4(7) . . . . ?
N13A P2 N14 C22B 67.0(7) . . . . ?
N12 P2 N14 C22A -87.3(8) . . . . ?
N11 P2 N14 C22A 152.4(8) . . . . ?
N13B P2 N14 C22A 47.4(9) . . . . ?
N13A P2 N14 C22A 16.9(9) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        28.05
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         3.476
_refine_diff_density_min         -0.554
_refine_diff_density_rms         0.185