#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:34:46 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179336 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/33/4323318.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_4323318
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         'C14 H38 Cl4 N2 P2 W2'
_chemical_formula_structural     W2Cl4(NEt2)2(PMe3)2
_chemical_formula_sum            'C14 H38 Cl4 N2 P2 W2'
_chemical_formula_weight         805.90
_chemical_melting_point          ?
_chemical_name_common
; 
 cis,cis-Tetrachloro-bis(diethylamido)-bis(trimethyl-
 phosphine) ditungsten(III)
;
_chemical_name_systematic
; 
 1,1,2,2-Tetrachloro-1,2-bis(diethylamido)-(cis,cis)-
 1,2-bis(trimethylphosphine) ditungsten(III) 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                111.82(3)
_cell_angle_beta                 103.11(2)
_cell_angle_gamma                90.72(3)
_cell_formula_units_Z            4
_cell_length_a                   9.568(2)
_cell_length_b                   17.294(7)
_cell_length_c                   17.418(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      8.3
_cell_measurement_theta_min      6.3
_cell_volume                     2590.9(15)
_computing_cell_refinement       'TEXSAN-TEXRAY (1992)'
_computing_data_collection       'TEXSAN-TEXRAY (1992)'
_computing_data_reduction        'TEXSAN-TEXRAY (1992)'
_computing_molecular_graphics    'SHELXTL V.5 (Siemens, 1994)'
_computing_publication_material  CIBTAB
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Rigaku AFC7R'
_diffrn_measurement_method       ω-2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0579
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            8125
_diffrn_reflns_theta_max         24.00
_diffrn_reflns_theta_min         2.14
_diffrn_standards_decay_%        9.22
_diffrn_standards_interval_count 250
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    9.411
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.4326
_exptl_absorpt_correction_type   'empirical via \y scans'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.066
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_description       plate
_exptl_crystal_F_000             1528
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.471
_refine_diff_density_min         -2.707
_refine_diff_density_rms         0.233
_refine_ls_extinction_coef       noref
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.957
_refine_ls_goodness_of_fit_obs   0.983
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     439
_refine_ls_number_reflns         8122
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.965
_refine_ls_restrained_S_obs      0.983
_refine_ls_R_factor_all          0.0974
_refine_ls_R_factor_obs          0.0447
_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)+(0.0919P)²+8.2295P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1543
_refine_ls_wR_factor_obs         0.1188
_reflns_number_observed          4770
_reflns_number_total             8125
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            ic9610694_3.cif
_cod_data_source_block           W2Cl4(NEt2)2(PMe3)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^)+(0.0919P)^2^+8.2295P] 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^)+(0.0919P)^2^+8.2295P] 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        2591(1)
_cod_database_code               4323318
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.46726(5) 0.02968(3) 0.18759(3) 0.0402(2) Uani 1 d . .
W2 W 0.43677(6) 0.02595(3) 0.31534(3) 0.0415(2) Uani 1 d . .
W3 W -0.03479(5) -0.47958(3) 0.31721(3) 0.0385(2) Uani 1 d . .
W4 W -0.03676(5) -0.47230(3) 0.18643(3) 0.0376(2) Uani 1 d . .
P1 P 0.6137(5) 0.1706(3) 0.2525(3) 0.0686(12) Uani 1 d . .
P2 P 0.5241(4) -0.1161(2) 0.2968(3) 0.0503(9) Uani 1 d . .
P3 P 0.2370(4) -0.4514(3) 0.3788(3) 0.0599(11) Uani 1 d . .
P4 P -0.1497(4) -0.6194(2) 0.0901(2) 0.0456(9) Uani 1 d . .
Cl1 Cl 0.3827(6) -0.1047(3) 0.0750(3) 0.0854(14) Uani 1 d . .
Cl2 Cl 0.7066(4) -0.0079(3) 0.1764(3) 0.0822(14) Uani 1 d . .
Cl3 Cl 0.6695(4) 0.0593(3) 0.4183(3) 0.0673(11) Uani 1 d . .
Cl4 Cl 0.3925(5) 0.1623(2) 0.4009(3) 0.0713(12) Uani 1 d . .
Cl5 Cl -0.2723(4) -0.5369(3) 0.3049(3) 0.0669(11) Uani 1 d . .
Cl6 Cl 0.0298(6) -0.6140(3) 0.3201(3) 0.0818(14) Uani 1 d . .
Cl7 Cl 0.1636(4) -0.5402(3) 0.1351(3) 0.0651(11) Uani 1 d . .
Cl8 Cl 0.1073(4) -0.3458(2) 0.2159(3) 0.0600(10) Uani 1 d . .
N1 N 0.3095(13) 0.0848(8) 0.1471(8) 0.062(3) Uani 1 d . .
N2 N 0.2415(12) -0.0255(7) 0.2868(8) 0.051(3) Uani 1 d . .
N3 N -0.0568(11) -0.3661(7) 0.3876(6) 0.041(3) Uani 1 d . .
N4 N -0.2199(11) -0.4317(7) 0.1565(7) 0.045(3) Uani 1 d . .
C1 C 0.6828(19) 0.1866(11) 0.1712(11) 0.082(5) Uani 1 d . .
H1A H 0.6049(19) 0.1775(11) 0.1220(11) 0.138(20) Uiso 1 calc R .
H1B H 0.7522(19) 0.1479(11) 0.1555(11) 0.138(20) Uiso 1 calc R .
H1C H 0.7282(19) 0.2429(11) 0.1927(11) 0.138(20) Uiso 1 calc R .
C2 C 0.5144(27) 0.2630(10) 0.2879(14) 0.119(9) Uani 1 d . .
H2A H 0.4262(27) 0.2559(10) 0.2454(14) 0.138(20) Uiso 1 calc R .
H2B H 0.5727(27) 0.3123(10) 0.2960(14) 0.138(20) Uiso 1 calc R .
H2C H 0.4925(27) 0.2688(10) 0.3408(14) 0.138(20) Uiso 1 calc R .
C3 C 0.7731(23) 0.1904(14) 0.3351(12) 0.130(10) Uani 1 d . .
H3A H 0.7498(23) 0.1836(14) 0.3832(12) 0.138(20) Uiso 1 calc R .
H3B H 0.8159(23) 0.2466(14) 0.3521(12) 0.138(20) Uiso 1 calc R .
H3C H 0.8401(23) 0.1516(14) 0.3149(12) 0.138(20) Uiso 1 calc R .
C4 C 0.7028(16) -0.1330(10) 0.2846(12) 0.078(5) Uani 1 d . .
H4A H 0.7693(16) -0.0870(10) 0.3269(12) 0.138(20) Uiso 1 calc R .
H4B H 0.7072(16) -0.1372(10) 0.2287(12) 0.138(20) Uiso 1 calc R .
H4C H 0.7279(16) -0.1840(10) 0.2915(12) 0.138(20) Uiso 1 calc R .
C5 C 0.4157(18) -0.2073(9) 0.2134(11) 0.082(6) Uani 1 d . .
H5A H 0.3162(18) -0.2038(9) 0.2148(11) 0.138(20) Uiso 1 calc R .
H5B H 0.4469(18) -0.2567(9) 0.2219(11) 0.138(20) Uiso 1 calc R .
H5C H 0.4263(18) -0.2100(9) 0.1590(11) 0.138(20) Uiso 1 calc R .
C6 C 0.5265(25) -0.1352(12) 0.3927(12) 0.108(8) Uani 1 d . .
H6A H 0.4337(25) -0.1277(12) 0.4053(12) 0.138(20) Uiso 1 calc R .
H6B H 0.5989(25) -0.0964(12) 0.4396(12) 0.138(20) Uiso 1 calc R .
H6C H 0.5480(25) -0.1914(12) 0.3840(12) 0.138(20) Uiso 1 calc R .
C7 C 0.3100(17) 0.0810(11) 0.0616(10) 0.066(5) Uani 1 d . .
H7A H 0.2300(17) 0.0413(11) 0.0207(10) 0.063(16) Uiso 1 calc R .
H7B H 0.3983(17) 0.0593(11) 0.0483(10) 0.063(16) Uiso 1 calc R .
C8 C 0.2985(21) 0.1664(12) 0.0491(12) 0.092(6) Uani 1 d . .
H8A H 0.2998(21) 0.1575(12) -0.0085(12) 0.163(27) Uiso 1 calc R .
H8B H 0.3788(21) 0.2060(12) 0.0879(12) 0.163(27) Uiso 1 calc R .
H8C H 0.2101(21) 0.1880(12) 0.0602(12) 0.163(27) Uiso 1 calc R .
C9 C 0.1860(16) 0.1242(10) 0.1795(12) 0.072(5) Uani 1 d . .
H9A H 0.1997(16) 0.1840(10) 0.1930(12) 0.063(16) Uiso 1 calc R .
H9B H 0.1860(16) 0.1167(10) 0.2320(12) 0.063(16) Uiso 1 calc R .
C10 C 0.0427(17) 0.0893(14) 0.1178(15) 0.117(9) Uani 1 d . .
H10A H -0.0320(17) 0.1173(14) 0.1425(15) 0.163(27) Uiso 1 calc R .
H10B H 0.0270(17) 0.0305(14) 0.1051(15) 0.163(27) Uiso 1 calc R .
H10C H 0.0408(17) 0.0978(14) 0.0662(15) 0.163(27) Uiso 1 calc R .
C11 C 0.1238(15) -0.0533(10) 0.2111(11) 0.066(4) Uani 1 d . .
H11A H 0.1613(15) -0.0535(10) 0.1638(11) 0.063(16) Uiso 1 calc R .
H11B H 0.0544(15) -0.0124(10) 0.2193(11) 0.063(16) Uiso 1 calc R .
C12 C 0.0424(18) -0.1409(11) 0.1852(13) 0.087(6) Uani 1 d . .
H12A H -0.0332(18) -0.1528(11) 0.1342(13) 0.163(27) Uiso 1 calc R .
H12B H 0.0013(18) -0.1414(11) 0.2304(13) 0.163(27) Uiso 1 calc R .
H12C H 0.1085(18) -0.1826(11) 0.1747(13) 0.163(27) Uiso 1 calc R .
C13 C 0.2044(18) -0.0289(10) 0.3620(11) 0.071(5) Uani 1 d . .
H13A H 0.2904(18) -0.0107(10) 0.4089(11) 0.063(16) Uiso 1 calc R .
H13B H 0.1749(18) -0.0868(10) 0.3506(11) 0.063(16) Uiso 1 calc R .
C14 C 0.0859(21) 0.0234(13) 0.3904(13) 0.109(8) Uani 1 d . .
H14A H 0.0690(21) 0.0172(13) 0.4402(13) 0.163(27) Uiso 1 calc R .
H14B H -0.0010(21) 0.0049(13) 0.3453(13) 0.163(27) Uiso 1 calc R .
H14C H 0.1148(21) 0.0812(13) 0.4037(13) 0.163(27) Uiso 1 calc R .
C15 C 0.2733(17) -0.4448(12) 0.4864(10) 0.080(5) Uani 1 d . .
H15A H 0.2273(17) -0.4938(12) 0.4877(10) 0.124(18) Uiso 1 calc R .
H15B H 0.2366(17) -0.3958(12) 0.5205(10) 0.124(18) Uiso 1 calc R .
H15C H 0.3757(17) -0.4412(12) 0.5088(10) 0.124(18) Uiso 1 calc R .
C16 C 0.3320(18) -0.3548(14) 0.3923(16) 0.128(10) Uani 1 d . .
H16A H 0.3204(18) -0.3509(14) 0.3377(16) 0.124(18) Uiso 1 calc R .
H16B H 0.4327(18) -0.3536(14) 0.4173(16) 0.124(18) Uiso 1 calc R .
H16C H 0.2936(18) -0.3083(14) 0.4290(16) 0.124(18) Uiso 1 calc R .
C17 C 0.3525(19) -0.5277(15) 0.3332(11) 0.127(10) Uani 1 d . .
H17A H 0.3411(19) -0.5361(15) 0.2744(11) 0.124(18) Uiso 1 calc R .
H17B H 0.3266(19) -0.5798(15) 0.3370(11) 0.124(18) Uiso 1 calc R .
H17C H 0.4511(19) -0.5080(15) 0.3640(11) 0.124(18) Uiso 1 calc R .
C18 C -0.1509(19) -0.6336(10) -0.0198(10) 0.074(5) Uani 1 d . .
H18A H -0.1960(19) -0.5892(10) -0.0328(10) 0.124(18) Uiso 1 calc R .
H18B H -0.2038(19) -0.6864(10) -0.0585(10) 0.124(18) Uiso 1 calc R .
H18C H -0.0535(19) -0.6326(10) -0.0256(10) 0.124(18) Uiso 1 calc R .
C19 C -0.3402(15) -0.6480(10) 0.0800(11) 0.071(5) Uani 1 d . .
H19A H -0.3956(15) -0.6036(10) 0.0744(11) 0.124(18) Uiso 1 calc R .
H19B H -0.3495(15) -0.6569(10) 0.1299(11) 0.124(18) Uiso 1 calc R .
H19C H -0.3753(15) -0.6985(10) 0.0304(11) 0.124(18) Uiso 1 calc R .
C20 C -0.0605(17) -0.7092(9) 0.0999(10) 0.067(5) Uani 1 d . .
H20A H 0.0409(17) -0.6993(9) 0.1054(10) 0.124(18) Uiso 1 calc R .
H20B H -0.1009(17) -0.7586(9) 0.0499(10) 0.124(18) Uiso 1 calc R .
H20C H -0.0748(17) -0.7170(9) 0.1494(10) 0.124(18) Uiso 1 calc R .
C21 C -0.0777(16) -0.2879(9) 0.3718(9) 0.056(4) Uani 1 d . .
H21A H -0.1754(16) -0.2746(9) 0.3735(9) 0.062(15) Uiso 1 calc R .
H21B H -0.0679(16) -0.2981(9) 0.3147(9) 0.062(15) Uiso 1 calc R .
C22 C 0.0250(21) -0.2136(10) 0.4338(13) 0.103(8) Uani 1 d . .
H22A H 0.0043(21) -0.1660(10) 0.4190(13) 0.124(21) Uiso 1 calc R .
H22B H 0.1221(21) -0.2254(10) 0.4316(13) 0.124(21) Uiso 1 calc R .
H22C H 0.0143(21) -0.2018(10) 0.4904(13) 0.124(21) Uiso 1 calc R .
C23 C -0.0681(17) -0.3597(10) 0.4714(9) 0.063(4) Uani 1 d . .
H23A H 0.0053(17) -0.3168(10) 0.5145(9) 0.062(15) Uiso 1 calc R .
H23B H -0.0486(17) -0.4125(10) 0.4771(9) 0.062(15) Uiso 1 calc R .
C24 C -0.2176(20) -0.3382(11) 0.4888(11) 0.083(6) Uani 1 d . .
H24A H -0.2178(20) -0.3350(11) 0.5450(11) 0.124(21) Uiso 1 calc R .
H24B H -0.2909(20) -0.3811(11) 0.4473(11) 0.124(21) Uiso 1 calc R .
H24C H -0.2369(20) -0.2853(11) 0.4848(11) 0.124(21) Uiso 1 calc R .
C25 C -0.3375(14) -0.4016(9) 0.1971(9) 0.050(4) Uani 1 d . .
H25A H -0.3341(14) -0.3415(9) 0.2125(9) 0.062(15) Uiso 1 calc R .
H25B H -0.3204(14) -0.4115(9) 0.2496(9) 0.062(15) Uiso 1 calc R .
C26 C -0.4878(15) -0.4409(11) 0.1440(12) 0.080(6) Uani 1 d . .
H26A H -0.5570(15) -0.4172(11) 0.1759(12) 0.124(21) Uiso 1 calc R .
H26B H -0.4939(15) -0.5003(11) 0.1297(12) 0.124(21) Uiso 1 calc R .
H26C H -0.5077(15) -0.4301(11) 0.0925(12) 0.124(21) Uiso 1 calc R .
C27 C -0.2325(15) -0.4191(9) 0.0770(9) 0.054(4) Uani 1 d . .
H27A H -0.3159(15) -0.4550(9) 0.0352(9) 0.062(15) Uiso 1 calc R .
H27B H -0.1481(15) -0.4379(9) 0.0561(9) 0.062(15) Uiso 1 calc R .
C28 C -0.2465(19) -0.3319(10) 0.0806(10) 0.070(5) Uani 1 d . .
H28A H -0.2541(19) -0.3314(10) 0.0248(10) 0.124(21) Uiso 1 calc R .
H28B H -0.1631(19) -0.2955(10) 0.1200(10) 0.124(21) Uiso 1 calc R .
H28C H -0.3315(19) -0.3127(10) 0.0991(10) 0.124(21) Uiso 1 calc R .
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'
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'
W W -0.8490 6.8722 '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 106.5(4) . . y
N1 W1 Cl1 94.5(4) . . y
W2 W1 Cl1 109.13(13) . . y
N1 W1 Cl2 144.0(4) . . y
W2 W1 Cl2 107.47(11) . . y
Cl1 W1 Cl2 85.6(2) . . y
N1 W1 P1 86.6(4) . . y
W2 W1 P1 96.48(11) . . y
Cl1 W1 P1 152.8(2) . . y
Cl2 W1 P1 78.0(2) . . y
N2 W2 W1 104.5(4) . . y
N2 W2 Cl4 96.0(3) . . y
W1 W2 Cl4 107.78(12) . . y
N2 W2 Cl3 144.4(4) . . y
W1 W2 Cl3 109.25(11) . . y
Cl4 W2 Cl3 84.5(2) . . y
N2 W2 P2 88.4(3) . . y
W1 W2 P2 97.49(10) . . y
Cl4 W2 P2 152.23(15) . . y
Cl3 W2 P2 76.30(14) . . y
N3 W3 W4 103.4(3) . . y
N3 W3 Cl5 95.5(3) . . y
W4 W3 Cl5 106.63(11) . . y
N3 W3 Cl6 144.0(3) . . y
W4 W3 Cl6 111.54(12) . . y
Cl5 W3 Cl6 82.9(2) . . y
N3 W3 P3 90.2(3) . . y
W4 W3 P3 97.06(10) . . y
Cl5 W3 P3 153.55(15) . . y
Cl6 W3 P3 77.5(2) . . y
N4 W4 W3 103.2(3) . . y
N4 W4 Cl8 95.6(3) . . y
W3 W4 Cl8 106.96(10) . . y
N4 W4 Cl7 145.9(3) . . y
W3 W4 Cl7 109.50(11) . . y
Cl8 W4 Cl7 84.17(15) . . y
N4 W4 P4 89.0(3) . . y
W3 W4 P4 98.66(10) . . y
Cl8 W4 P4 152.09(13) . . y
Cl7 W4 P4 76.89(13) . . y
C3 P1 C1 101.5(10) . . n
C3 P1 C2 105.6(12) . . n
C1 P1 C2 102.1(9) . . n
C3 P1 W1 120.3(8) . . n
C1 P1 W1 108.3(6) . . n
C2 P1 W1 116.6(7) . . n
C4 P2 C5 103.3(8) . . n
C4 P2 C6 102.6(9) . . n
C5 P2 C6 103.0(10) . . n
C4 P2 W2 119.2(5) . . n
C5 P2 W2 118.0(5) . . n
C6 P2 W2 108.6(6) . . n
C15 P3 C16 101.5(10) . . n
C15 P3 C17 102.6(9) . . n
C16 P3 C17 102.1(11) . . n
C15 P3 W3 107.8(6) . . n
C16 P3 W3 120.2(6) . . n
C17 P3 W3 119.9(7) . . n
C20 P4 C19 104.0(8) . . n
C20 P4 C18 101.6(8) . . n
C19 P4 C18 101.8(8) . . n
C20 P4 W4 120.0(5) . . n
C19 P4 W4 119.0(5) . . n
C18 P4 W4 107.7(6) . . n
C7 N1 C9 114.4(13) . . n
C7 N1 W1 110.2(9) . . n
C9 N1 W1 135.3(11) . . n
C11 N2 C13 114.5(12) . . n
C11 N2 W2 134.5(10) . . n
C13 N2 W2 110.8(10) . . n
C23 N3 C21 114.4(11) . . n
C23 N3 W3 111.2(9) . . n
C21 N3 W3 134.1(9) . . n
C27 N4 C25 113.5(11) . . n
C27 N4 W4 109.3(8) . . n
C25 N4 W4 136.6(9) . . n
N1 C7 C8 115.7(14) . . n
N1 C9 C10 113.7(15) . . n
N2 C11 C12 116.7(14) . . n
N2 C13 C14 115.4(15) . . n
N3 C21 C22 114.8(13) . . n
N3 C23 C24 113.8(12) . . n
N4 C25 C26 115.7(12) . . n
N4 C27 C28 117.1(12) . . 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 1.934(12) . y
W1 W2 2.3326(10) . y
W1 Cl1 2.397(4) . y
W1 Cl2 2.419(4) . y
W1 P1 2.516(5) . y
W2 N2 1.933(11) . y
W2 Cl4 2.379(4) . y
W2 Cl3 2.428(4) . y
W2 P2 2.534(4) . y
W3 N3 1.933(11) . y
W3 W4 2.3236(10) . y
W3 Cl5 2.399(4) . y
W3 Cl6 2.428(4) . y
W3 P3 2.543(4) . y
W4 N4 1.930(11) . y
W4 Cl8 2.391(4) . y
W4 Cl7 2.431(3) . y
W4 P4 2.527(4) . y
P1 C3 1.77(2) . n
P1 C1 1.80(2) . n
P1 C2 1.85(2) . n
P2 C4 1.79(2) . n
P2 C5 1.80(2) . n
P2 C6 1.81(2) . n
P3 C15 1.79(2) . n
P3 C16 1.80(2) . n
P3 C17 1.80(2) . n
P4 C20 1.826(14) . n
P4 C19 1.835(15) . n
P4 C18 1.83(2) . n
N1 C7 1.47(2) . n
N1 C9 1.49(2) . n
N2 C11 1.44(2) . n
N2 C13 1.45(2) . n
N3 C23 1.45(2) . n
N3 C21 1.48(2) . n
N4 C27 1.46(2) . n
N4 C25 1.46(2) . n
C7 C8 1.57(2) . n
C9 C10 1.49(2) . n
C11 C12 1.55(2) . n
C13 C14 1.51(2) . n
C21 C22 1.50(2) . n
C23 C24 1.55(2) . n
C25 C26 1.51(2) . n
C27 C28 1.50(2) . 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 127.91(15) . . . . y
P1 W1 W2 Cl3 49.9(2) . . . . y
P1 W1 W2 Cl4 -40.4(2) . . . . y
P1 W1 W2 N2 -141.8(4) . . . . y
Cl1 W1 W2 P2 -42.9(2) . . . . y
Cl1 W1 W2 Cl3 -120.9(2) . . . . y
Cl1 W1 W2 Cl4 148.8(2) . . . . y
Cl1 W1 W2 N2 47.4(4) . . . . y
Cl2 W1 W2 P2 48.5(2) . . . . y
Cl2 W1 W2 Cl3 -29.5(2) . . . . y
Cl2 W1 W2 Cl4 -119.8(2) . . . . y
Cl2 W1 W2 N2 138.8(4) . . . . y
N1 W1 W2 P2 -143.8(4) . . . . y
N1 W1 W2 Cl3 138.2(4) . . . . y
N1 W1 W2 Cl4 47.9(4) . . . . y
N1 W1 W2 N2 -53.5(5) . . . . y
P3 W3 W4 P4 119.14(13) . . . . y
P3 W3 W4 Cl8 -49.66(15) . . . . y
P3 W3 W4 Cl7 40.07(15) . . . . y
P3 W3 W4 N4 -149.9(3) . . . . y
Cl6 W3 W4 P4 39.9(2) . . . . y
Cl6 W3 W4 Cl8 -128.9(2) . . . . y
Cl6 W3 W4 Cl7 -39.2(2) . . . . y
Cl6 W3 W4 N4 130.9(4) . . . . y
Cl5 W3 W4 P4 -48.95(14) . . . . y
Cl5 W3 W4 Cl8 142.2(2) . . . . y
Cl5 W3 W4 Cl7 -128.0(2) . . . . y
Cl5 W3 W4 N4 42.0(4) . . . . y
N3 W3 W4 P4 -149.0(3) . . . . y
N3 W3 W4 Cl8 42.2(3) . . . . y
N3 W3 W4 Cl7 131.9(3) . . . . y
N3 W3 W4 N4 -58.0(4) . . . . y
