#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:34:46 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179336 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/33/4323320.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4323320
loop_
_publ_author_name
'F. Albert Cotton'
'Evgeny V. Dikarev'
'N. Nawar'
'Wai-Yeung Wong'
_publ_section_title
;
 W2Cl4(NR2)2(PR'3)2 Molecules. 4. A New Synthetic Route to Products with a
 Staggered Conformation. Preparations and Characterizations of
 W2Cl4(NR2)2(PR'3)2 (R = Et, Bu, Hex; R'3= Me3, Et2H) and an Intermediate
 Complex W2Cl4(NEt2)2(NHEt2)2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              559
_journal_page_last               566
_journal_paper_doi               10.1021/ic9610694
_journal_volume                  36
_journal_year                    1997
_chemical_compound_source        synthesized
_chemical_formula_analytical     'not measured'
_chemical_formula_moiety         'C24 H58 Cl4 N2 P2 W2'
_chemical_formula_structural     W2Cl4(NBu2)2(PEt2H)2
_chemical_formula_sum            'C24 H58 Cl4 N2 P2 W2'
_chemical_formula_weight         946.16
_chemical_melting_point          ?
_chemical_name_common
;
 cis,cis-Tetrachloro-bis(dibutylamido)-bis(diethyl-
 phosphine) ditungsten(III)
;
_chemical_name_systematic
; 
 1,1,2,2-Tetrachloro-1,2-bis(dibutylamido)-(cis,cis)-
 1,2-bis(diethylphosphine) ditungsten(III) 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 115.43(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.970(3)
_cell_length_b                   10.993(2)
_cell_length_c                   20.689(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      18.59
_cell_measurement_theta_min      9.13
_cell_volume                     3691.0(12)
_computing_cell_refinement       'TEXSAN-TEXRAY (1985)'
_computing_data_collection       'TEXSAN-TEXRAY (1985)'
_computing_data_reduction        'TEXSAN-TEXRAY (1985)'
_computing_molecular_graphics    'SHELXTL V.5 (Siemens, 1994)'
_computing_publication_material  CIFTAB
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXTL V.5 (Siemens, 1994)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Rigaku AFC5R'
_diffrn_measurement_method       ω-2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54060
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_av_sigmaI/netI    0.0552
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            5695
_diffrn_reflns_theta_max         60.01
_diffrn_reflns_theta_min         2.73
_diffrn_standards_decay_%        9.5
_diffrn_standards_interval_count 250
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    14.940
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7365
_exptl_absorpt_correction_type   'empirical via \y scans'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.703
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_description       block-shaped
_exptl_crystal_F_000             1848
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.741
_refine_diff_density_min         -1.389
_refine_diff_density_rms         0.119
_refine_ls_extinction_coef       0.00040(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.067
_refine_ls_goodness_of_fit_obs   1.075
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         5491
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      1.078
_refine_ls_restrained_S_obs      1.073
_refine_ls_R_factor_all          0.0738
_refine_ls_R_factor_obs          0.0410
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0252P)²+20.5509P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1127
_refine_ls_wR_factor_obs         0.0949
_reflns_number_observed          4002
_reflns_number_total             5496
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            ic9610694_5.cif
_cod_data_source_block           W2Cl4(NBu2)2(PEt2H)2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0252P)^2^+20.5509P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0252P)^2^+20.5509P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3691(1)
_cod_database_code               4323320
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'
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
W1 W 0.31781(3) 0.48483(4) 0.15218(2) 0.0522(2) Uani 1 d . .
W2 W 0.40916(3) 0.52050(4) 0.10203(2) 0.0525(2) Uani 1 d . .
Cl1 Cl 0.3627(2) 0.3079(2) 0.22644(15) 0.0710(7) Uani 1 d . .
Cl2 Cl 0.2041(2) 0.3585(3) 0.0743(2) 0.0849(9) Uani 1 d . .
Cl3 Cl 0.3466(2) 0.4849(3) -0.02635(13) 0.0753(8) Uani 1 d . .
Cl4 Cl 0.3983(2) 0.7309(2) 0.0709(2) 0.0731(7) Uani 1 d . .
N1 N 0.3499(5) 0.6042(7) 0.2260(4) 0.053(2) Uani 1 d . .
N2 N 0.5124(5) 0.5272(7) 0.1845(4) 0.059(2) Uani 1 d . .
P1 P 0.2149(2) 0.6349(3) 0.0723(2) 0.0680(8) Uani 1 d D 1
H1 H 0.2392(59) 0.7442(94) 0.0850(52) 0.087(33) Uiso 1 d . 1
C1 C 0.1695(8) 0.6142(13) -0.0248(6) 0.099(4) Uani 1 d D 1
H1A H 0.1971(8) 0.5470(13) -0.0358(6) 0.118 Uiso 1 calc R 1
H1B H 0.1120(8) 0.5920(13) -0.0411(6) 0.118 Uiso 1 calc R 1
C2 C 0.1746(40) 0.7261(28) -0.0664(13) 0.109(7) Uiso 0.52(8) d PD 1
H2A H 0.1496(40) 0.7083(28) -0.1167(13) 0.163 Uiso 0.52(8) calc PR 1
H2B H 0.2314(40) 0.7476(28) -0.0516(13) 0.163 Uiso 0.52(8) calc PR 1
H2C H 0.1462(40) 0.7927(28) -0.0570(13) 0.163 Uiso 0.52(8) calc PR 1
C3 C 0.1283(10) 0.6316(18) 0.0989(9) 0.084(5) Uiso 0.72(2) d PD 1
H3A H 0.1090(10) 0.5484(18) 0.0955(9) 0.101 Uiso 0.72(2) calc PR 1
H3B H 0.1492(10) 0.6561(18) 0.1486(9) 0.101 Uiso 0.72(2) calc PR 1
C4 C 0.0546(12) 0.7129(22) 0.0543(11) 0.117(7) Uiso 0.72(2) d PD 1
H4A H 0.0131(12) 0.7054(22) 0.0718(11) 0.176 Uiso 0.72(2) calc PR 1
H4B H 0.0321(12) 0.6881(22) 0.0051(11) 0.176 Uiso 0.72(2) calc PR 1
H4C H 0.0724(12) 0.7960(22) 0.0583(11) 0.176 Uiso 0.72(2) calc PR 1
P1X P 0.2149(2) 0.6349(3) 0.0723(2) 0.990 Uiso 0.00 d PD 2
C1X C 0.1695(8) 0.6142(13) -0.0248(6) 0.990(2) Uiso 0.000(2) d PD 2
C2X C 0.1389(41) 0.7342(24) -0.0670(13) 0.109(7) Uiso 0.48(8) d PD 2
H2X1 H 0.1158(41) 0.7174(24) -0.1174(13) 0.163 Uiso 0.48(8) calc PR 2
H2X2 H 0.1844(41) 0.7894(24) -0.0546(13) 0.163 Uiso 0.48(8) calc PR 2
H2X3 H 0.0976(41) 0.7702(24) -0.0553(13) 0.163 Uiso 0.48(8) calc PR 2
C3X C 0.1333(19) 0.6873(44) 0.0967(19) 0.084(5) Uiso 0.28(2) d PD 2
H3X1 H 0.1515(19) 0.6761(44) 0.1477(19) 0.101 Uiso 0.28(2) calc PR 2
H3X2 H 0.1247(19) 0.7737(44) 0.0867(19) 0.101 Uiso 0.28(2) calc PR 2
C4X C 0.0500(20) 0.6201(54) 0.0562(29) 0.117(7) Uiso 0.28(2) d PD 2
H4X1 H 0.0102(20) 0.6516(54) 0.0713(29) 0.176 Uiso 0.28(2) calc PR 2
H4X2 H 0.0576(20) 0.5347(54) 0.0667(29) 0.176 Uiso 0.28(2) calc PR 2
H4X3 H 0.0308(20) 0.6323(54) 0.0056(29) 0.176 Uiso 0.28(2) calc PR 2
P2 P 0.4344(2) 0.2985(2) 0.0920(2) 0.0676(8) Uani 1 d D 3
H2 H 0.4622(52) 0.2334(80) 0.1592(46) 0.067(27) Uiso 1 d . 3
C5 C 0.3512(8) 0.2015(11) 0.0359(7) 0.097(4) Uani 1 d D 3
H5A H 0.3098(8) 0.2031(11) 0.0543(7) 0.116 Uiso 1 calc R 3
H5B H 0.3265(8) 0.2375(11) -0.0114(7) 0.116 Uiso 1 calc R 3
C6 C 0.3695(12) 0.0687(13) 0.0275(10) 0.153(7) Uani 1 d D 3
H6A H 0.3195(12) 0.0284(13) -0.0037(10) 0.229 Uiso 1 calc R 3
H6B H 0.3918(12) 0.0297(13) 0.0735(10) 0.229 Uiso 1 calc R 3
H6C H 0.4087(12) 0.0642(13) 0.0074(10) 0.229 Uiso 1 calc R 3
C7 C 0.5184(13) 0.2790(25) 0.0668(17) 0.083(4) Uiso 0.55(5) d PD 3
H7A H 0.4961(13) 0.2816(25) 0.0150(17) 0.100 Uiso 0.55(5) calc PR 3
H7B H 0.5556(13) 0.3476(25) 0.0852(17) 0.100 Uiso 0.55(5) calc PR 3
C8 C 0.5687(21) 0.1617(37) 0.0928(17) 0.102(7) Uiso 0.55(5) d PD 3
H8A H 0.6115(21) 0.1602(37) 0.0767(17) 0.153 Uiso 0.55(5) calc PR 3
H8B H 0.5333(21) 0.0927(37) 0.0737(17) 0.153 Uiso 0.55(5) calc PR 3
H8C H 0.5929(21) 0.1589(37) 0.1441(17) 0.153 Uiso 0.55(5) calc PR 3
P2X P 0.4344(2) 0.2985(2) 0.0920(2) 0.990 Uiso 0.00 d PD 4
C5X C 0.3512(8) 0.2015(11) 0.0359(7) 0.9900(15) Uiso 0.000(2) d PD 4
C6X C 0.3695(12) 0.0687(13) 0.0275(10) 0.990(8) Uiso 0.000(9) d PD 4
C7X C 0.5111(13) 0.2824(31) 0.0559(18) 0.083(4) Uiso 0.45(5) d PD 4
H7X1 H 0.4862(13) 0.2381(31) 0.0111(18) 0.100 Uiso 0.45(5) calc PR 4
H7X2 H 0.5255(13) 0.3627(31) 0.0455(18) 0.100 Uiso 0.45(5) calc PR 4
C8X C 0.5912(19) 0.2158(51) 0.1064(20) 0.102(7) Uiso 0.45(5) d PD 4
H8X1 H 0.6281(19) 0.2110(51) 0.0839(20) 0.153 Uiso 0.45(5) calc PR 4
H8X2 H 0.5780(19) 0.1353(51) 0.1160(20) 0.153 Uiso 0.45(5) calc PR 4
H8X3 H 0.6173(19) 0.2601(51) 0.1505(20) 0.153 Uiso 0.45(5) calc PR 4
C9 C 0.4032(6) 0.7129(9) 0.2460(5) 0.059(3) Uani 1 d . .
H9A H 0.4281(6) 0.7209(9) 0.2129(5) 0.070 Uiso 1 calc R 5
H9B H 0.4474(6) 0.7000(9) 0.2933(5) 0.070 Uiso 1 calc R 5
C10 C 0.3605(7) 0.8315(9) 0.2465(7) 0.080(3) Uani 1 d D 5
H10A H 0.3306(7) 0.8226(9) 0.2757(7) 0.096 Uiso 1 calc R 5
H10B H 0.3212(7) 0.8516(9) 0.1982(7) 0.096 Uiso 1 calc R 5
C11 C 0.4240(15) 0.9343(21) 0.2767(13) 0.086(5) Uiso 0.54(2) d PD 5
H11A H 0.3977(15) 1.0043(21) 0.2865(13) 0.103 Uiso 0.54(2) calc PR 5
H11B H 0.4679(15) 0.9079(21) 0.3216(13) 0.103 Uiso 0.54(2) calc PR 5
C12 C 0.4600(20) 0.9710(27) 0.2274(18) 0.141(9) Uiso 0.54(2) d PD 5
H12A H 0.4991(20) 1.0353(27) 0.2488(18) 0.212 Uiso 0.54(2) calc PR 5
H12B H 0.4171(20) 0.9991(27) 0.1832(18) 0.212 Uiso 0.54(2) calc PR 5
H12C H 0.4873(20) 0.9026(27) 0.2183(18) 0.212 Uiso 0.54(2) calc PR 5
C10X C 0.3605(7) 0.8315(9) 0.2465(7) 0.990 Uiso 0.00 d PD 6
C11X C 0.3998(15) 0.9493(22) 0.2386(16) 0.086(5) Uiso 0.46(2) d PD 6
H11C H 0.3985(15) 0.9529(22) 0.1913(16) 0.103 Uiso 0.46(2) calc PR 6
H11D H 0.3684(15) 1.0177(22) 0.2434(16) 0.103 Uiso 0.46(2) calc PR 6
C12X C 0.4872(18) 0.9584(32) 0.2942(20) 0.141(9) Uiso 0.46(2) d PD 6
H12D H 0.5107(18) 1.0335(32) 0.2881(20) 0.212 Uiso 0.46(2) calc PR 6
H12E H 0.5184(18) 0.8914(32) 0.2889(20) 0.212 Uiso 0.46(2) calc PR 6
H12F H 0.4883(18) 0.9562(32) 0.3410(20) 0.212 Uiso 0.46(2) calc PR 6
C13 C 0.3064(6) 0.5858(10) 0.2724(5) 0.066(3) Uani 1 d . .
H13A H 0.2713(6) 0.5147(10) 0.2560(5) 0.079 Uiso 1 calc R .
H13B H 0.2715(6) 0.6556(10) 0.2678(5) 0.079 Uiso 1 calc R .
C14 C 0.3663(7) 0.5689(11) 0.3515(5) 0.073(3) Uani 1 d . .
H14A H 0.4058(7) 0.5058(11) 0.3557(5) 0.088 Uiso 1 calc R .
H14B H 0.3963(7) 0.6439(11) 0.3699(5) 0.088 Uiso 1 calc R .
C15 C 0.3198(8) 0.5339(11) 0.3954(6) 0.080(3) Uani 1 d . .
H15A H 0.2734(8) 0.5885(11) 0.3836(6) 0.096 Uiso 1 calc R .
H15B H 0.2982(8) 0.4521(11) 0.3825(6) 0.096 Uiso 1 calc R .
C16 C 0.3725(9) 0.5389(13) 0.4742(6) 0.106(5) Uani 1 d . .
H16A H 0.3404(9) 0.5162(13) 0.4993(6) 0.158 Uiso 1 calc R .
H16B H 0.3931(9) 0.6201(13) 0.4876(6) 0.158 Uiso 1 calc R .
H16C H 0.4180(9) 0.4837(13) 0.4864(6) 0.158 Uiso 1 calc R .
C17 C 0.5414(7) 0.4893(10) 0.2599(6) 0.073(3) Uani 1 d . .
H17A H 0.4938(7) 0.4778(10) 0.2698(6) 0.087 Uiso 1 calc R .
H17B H 0.5740(7) 0.5547(10) 0.2904(6) 0.087 Uiso 1 calc R .
C18 C 0.5921(9) 0.3747(13) 0.2800(6) 0.103(4) Uani 1 d . .
H18A H 0.5622(9) 0.3116(13) 0.2460(6) 0.123 Uiso 1 calc R .
H18B H 0.6430(9) 0.3894(13) 0.2756(6) 0.123 Uiso 1 calc R .
C19 C 0.6130(10) 0.3288(17) 0.3542(7) 0.130(6) Uani 1 d . .
H19A H 0.6521(10) 0.3847(17) 0.3881(7) 0.156 Uiso 1 calc R .
H19B H 0.5633(10) 0.3310(17) 0.3617(7) 0.156 Uiso 1 calc R .
C20 C 0.6467(11) 0.2087(18) 0.3701(8) 0.166(8) Uani 1 d . .
H20A H 0.6578(11) 0.1883(18) 0.4186(8) 0.249 Uiso 1 calc R .
H20B H 0.6970(11) 0.2055(18) 0.3645(8) 0.249 Uiso 1 calc R .
H20C H 0.6080(11) 0.1516(18) 0.3380(8) 0.249 Uiso 1 calc R .
C21 C 0.5802(7) 0.5712(12) 0.1671(6) 0.080(3) Uani 1 d D 7
H21A H 0.5611(7) 0.5766(12) 0.1156(6) 0.096 Uiso 1 calc R 7
H21B H 0.6264(7) 0.5152(12) 0.1858(6) 0.096 Uiso 1 calc R 7
C22 C 0.6076(12) 0.7012(17) 0.2025(12) 0.102(6) Uiso 0.73(2) d PD 7
H22A H 0.5590(12) 0.7515(17) 0.1901(12) 0.122 Uiso 0.73(2) calc PR 7
H22B H 0.6339(12) 0.6923(17) 0.2541(12) 0.122 Uiso 0.73(2) calc PR 7
C23 C 0.6647(16) 0.7631(24) 0.1796(14) 0.160(10) Uiso 0.73(2) d PD 7
H23A H 0.6400(16) 0.7711(24) 0.1279(14) 0.191 Uiso 0.73(2) calc PR 7
H23B H 0.7152(16) 0.7166(24) 0.1942(14) 0.191 Uiso 0.73(2) calc PR 7
C24 C 0.6833(17) 0.8883(23) 0.2144(16) 0.164(11) Uiso 0.73(2) d PD 7
H24A H 0.7206(17) 0.9306(23) 0.2002(16) 0.246 Uiso 0.73(2) calc PR 7
H24B H 0.7080(17) 0.8795(23) 0.2655(16) 0.246 Uiso 0.73(2) calc PR 7
H24C H 0.6330(17) 0.9338(23) 0.1994(16) 0.246 Uiso 0.73(2) calc PR 7
C21X C 0.5802(7) 0.5712(12) 0.1671(6) 0.990 Uiso 0.00 d PD 8
C22X C 0.6500(24) 0.6569(30) 0.2178(25) 0.102(6) Uiso 0.27(2) d PD 8
H22C H 0.6688(24) 0.6295(30) 0.2669(25) 0.122 Uiso 0.27(2) calc PR 8
H22D H 0.6963(24) 0.6537(30) 0.2055(25) 0.122 Uiso 0.27(2) calc PR 8
C23X C 0.6197(31) 0.7848(36) 0.2116(40) 0.160(10) Uiso 0.27(2) d PD 8
H23C H 0.5753(31) 0.7907(36) 0.2262(40) 0.191 Uiso 0.27(2) calc PR 8
H23D H 0.6001(31) 0.8137(36) 0.1627(40) 0.191 Uiso 0.27(2) calc PR 8
C24X C 0.6952(39) 0.8585(46) 0.2622(39) 0.164(11) Uiso 0.27(2) d PD 8
H24D H 0.6803(39) 0.9426(46) 0.2610(39) 0.246 Uiso 0.27(2) calc PR 8
H24E H 0.7386(39) 0.8508(46) 0.2471(39) 0.246 Uiso 0.27(2) calc PR 8
H24F H 0.7139(39) 0.8280(46) 0.3101(39) 0.246 Uiso 0.27(2) calc PR 8
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -5.4734 5.5774 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N1 W1 W2 102.3(2) . . y
N1 W1 Cl1 98.2(2) . . y
W2 W1 Cl1 108.44(7) . . y
N1 W1 Cl2 143.7(2) . . y
W2 W1 Cl2 110.85(8) . . y
Cl1 W1 Cl2 85.21(11) . . y
N1 W1 P1X 87.6(2) . . y
W2 W1 P1X 93.29(7) . . y
Cl1 W1 P1X 155.55(10) . . y
Cl2 W1 P1X 76.44(11) . . y
N1 W1 P1 87.6(2) . . y
W2 W1 P1 93.29(7) . . y
Cl1 W1 P1 155.55(10) . . y
Cl2 W1 P1 76.44(11) . . y
N2 W2 W1 102.1(2) . . y
N2 W2 Cl4 98.0(3) . . y
W1 W2 Cl4 107.03(7) . . y
N2 W2 Cl3 143.1(2) . . y
W1 W2 Cl3 112.15(7) . . y
Cl4 W2 Cl3 85.15(10) . . y
N2 W2 P2X 88.3(3) . . y
W1 W2 P2X 93.47(6) . . y
Cl4 W2 P2X 156.61(9) . . y
Cl3 W2 P2X 76.58(10) . . y
N2 W2 P2 88.3(3) . . y
W1 W2 P2 93.47(6) . . y
Cl4 W2 P2 156.61(9) . . y
Cl3 W2 P2 76.58(10) . . y
C9 N1 C13 112.7(7) . . n
C9 N1 W1 136.0(6) . . n
C13 N1 W1 111.2(6) . . n
C17 N2 C21X 113.1(8) . . n
C17 N2 C21 113.1(8) . . n
C17 N2 W2 134.5(7) . . n
C21X N2 W2 112.2(6) . . n
C21 N2 W2 112.2(6) . . n
C1 P1 C3 106.6(7) . . n
C1 P1 W1 119.9(4) . . n
C3 P1 W1 105.5(5) . . n
C2 C1 P1 114.3(13) . . n
C4 C3 P1 115.3(13) . . n
C1X P1X C3X 107.9(12) . . n
C1X P1X W1 119.9(4) . . n
C3X P1X W1 118.5(15) . . n
C2X C1X P1X 113.4(13) . . n
C4X C3X P1X 113.7(22) . . n
C5 P2 C7 108.1(10) . . n
C5 P2 W2 120.1(4) . . n
C7 P2 W2 110.0(9) . . n
C6 C5 P2 118.8(11) . . n
C8 C7 P2 116.0(15) . . n
C5X P2X C7X 104.0(12) . . n
C5X P2X W2 120.1(4) . . n
C7X P2X W2 108.8(11) . . n
C6X C5X P2X 118.8(11) . . n
C8X C7X P2X 114.4(18) . . n
N1 C9 C10X 115.4(8) . . n
N1 C9 C10 115.4(8) . . n
C9 C10 C11 110.3(13) . . n
C12 C11 C10 113.0(18) . . n
C9 C10X C11X 118.3(14) . . n
C12X C11X C10X 110.9(20) . . n
N1 C13 C14 112.5(8) . . n
C15 C14 C13 110.7(9) . . n
C16 C15 C14 112.9(11) . . n
N2 C17 C18 115.2(9) . . n
C19 C18 C17 114.8(11) . . n
C20 C19 C18 116.2(14) . . n
N2 C21 C22 107.7(11) . . n
C23 C22 C21 113.0(17) . . n
C22 C23 C24 108.0(22) . . n
N2 C21X C22X 122.5(23) . . n
C23X C22X C21X 110.7(27) . . n
C22X C23X C24X 104.7(31) . . n
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
W1 N1 1.906(8) . y
W1 W2 2.3212(6) . y
W1 Cl1 2.394(3) . y
W1 Cl2 2.424(3) . y
W1 P1X 2.499(3) . y
W1 P1 2.499(3) . y
W2 N2 1.908(8) . y
W2 Cl4 2.387(3) . y
W2 Cl3 2.431(3) . y
W2 P2X 2.507(3) . y
W2 P2 2.507(3) . y
N1 C9 1.475(11) . n
N1 C13 1.488(10) . n
N2 C17 1.477(12) . n
N2 C21X 1.492(12) . n
N2 C21 1.492(12) . n
P1 C1 1.829(12) . n
P1 C3 1.861(15) . n
C1 C2 1.53(2) . n
C3 C4 1.53(2) . n
P1X C1X 1.829(12) . n
P1X C3X 1.84(2) . n
C1X C2X 1.55(2) . n
C3X C4X 1.55(3) . n
P2 C5 1.797(12) . n
P2 C7 1.81(2) . n
C5 C6 1.52(2) . n
C7 C8 1.53(2) . n
P2X C5X 1.797(12) . n
P2X C7X 1.84(2) . n
C5X C6X 1.52(2) . n
C7X C8X 1.55(2) . n
C9 C10X 1.514(13) . n
C9 C10 1.514(13) . n
C10 C11 1.53(2) . n
C11 C12 1.48(3) . n
C10X C11X 1.52(2) . n
C11X C12X 1.50(3) . n
C13 C14 1.535(13) . n
C14 C15 1.525(14) . n
C15 C16 1.49(2) . n
C17 C18 1.50(2) . n
C18 C19 1.50(2) . n
C19 C20 1.43(2) . n
C21 C22 1.58(2) . n
C22 C23 1.47(3) . n
C23 C24 1.52(3) . n
C21X C22X 1.56(3) . n
C22X C23X 1.49(3) . n
C23X C24X 1.54(4) . n
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
P1 W1 W2 P2 -134.07(10) . . . . y
P1 W1 W2 N2 136.9(3) . . . . y
P1 W1 W2 Cl3 -57.15(10) . . . . y
P1 W1 W2 Cl4 34.52(11) . . . . y
N1 W1 W2 P2 137.6(3) . . . . y
N1 W1 W2 N2 48.6(3) . . . . y
N1 W1 W2 Cl3 -145.4(3) . . . . y
N1 W1 W2 Cl4 -53.8(3) . . . . y
Cl1 W1 W2 P2 34.54(11) . . . . y
Cl1 W1 W2 N2 -54.5(3) . . . . y
Cl1 W1 W2 Cl3 111.46(10) . . . . y
Cl1 W1 W2 Cl4 -156.86(11) . . . . y
Cl2 W1 W2 P2 -57.33(11) . . . . y
Cl2 W1 W2 N2 -146.4(3) . . . . y
Cl2 W1 W2 Cl3 19.59(11) . . . . y
Cl2 W1 W2 Cl4 111.26(12) . . . . y
