#------------------------------------------------------------------------------
#$Date: 2016-06-26 05:09:27 +0300 (Sun, 26 Jun 2016) $
#$Revision: 183951 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/35/1543534.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_1543534
loop_
_publ_author_name
'Höhne, Martha'
'Müller, Bernd H.'
'Spannenberg, Anke'
'Rosenthal, Uwe'
_publ_section_title
;
 Di-μ-chlorido-bis({4-[bis(trimethylsilyl)amino]-6-chloro-2,2,8,8-tetramethyl-5,7-bis(trimethylsilyl)-3,5,7-triaza-4,6-diphospha-2,8-disilanon-3-en-4-ido-κ²P,P'}palladium(II))
 diethyl ether disolvate
;
_journal_coeditor_code           IS4009
_journal_issue                   6
_journal_name_full               IUCrData
_journal_page_first              x160986
_journal_paper_doi               10.1107/S241431461600986X
_journal_volume                  1
_journal_year                    2016
_chemical_formula_iupac
'[Pd2 (C18 H54 Cl2 N4 P2 Si6)2 Cl2], 2C4 H10 O'
_chemical_formula_moiety         'C36 H108 Cl4 N8 P4 Pd2 Si12, 2(C4 H10 O)'
_chemical_formula_sum            'C44 H128 Cl4 N8 O2 P4 Pd2 Si12'
_chemical_formula_weight         1617.10
_chemical_name_systematic
;Di-μ-chlorido-bis({4-[bis(trimethylsilyl)amino]-6-chloro-2,2,8,8-tetramethyl-
5,7-bis(trimethylsilyl)-3,5,7-triaza-4,6-diphospha-2,8-disilanon-3-en-4-ido-κ²P,P'}palladium(II))
diethyl ether disolvate
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                104.1592(6)
_cell_angle_beta                 101.3576(6)
_cell_angle_gamma                112.6871(6)
_cell_formula_units_Z            1
_cell_length_a                   12.7331(3)
_cell_length_b                   12.9694(3)
_cell_length_c                   14.6354(3)
_cell_measurement_reflns_used    9897
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.99
_cell_measurement_theta_min      2.47
_cell_volume                     2044.33(8)
_computing_cell_refinement
;
SAINT (Bruker, 2013)
;
_computing_data_collection
;
APEX2 (Bruker, 2014)
;
_computing_data_reduction
;
SAINT (Bruker, 2013)
;
_computing_molecular_graphics
;
XP in SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0209
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            40794
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.000
_diffrn_reflns_theta_min         1.518
_exptl_absorpt_coefficient_mu    0.861
_exptl_absorpt_correction_T_max  0.86
_exptl_absorpt_correction_T_min  0.77
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2014)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.314
_exptl_crystal_description       prism
_exptl_crystal_F_000             852
_exptl_crystal_size_max          0.418
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.184
_refine_diff_density_max         0.950
_refine_diff_density_min         -0.915
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     367
_refine_ls_number_reflns         9871
_refine_ls_number_restraints     29
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0320
_refine_ls_R_factor_gt           0.0285
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0355P)²+2.0017P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0728
_refine_ls_wR_factor_ref         0.0755
_reflns_number_gt                8984
_reflns_number_total             9871
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            is4009sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        2044.32(8)
_cod_database_code               1543534
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.6444(3) 0.1775(4) 0.2536(4) 0.0864(14) Uani d 1 . .
H H1A 0.6442 0.1971 0.3226 0.130 Uiso calc 1 . .
H H1B 0.7235 0.1847 0.2523 0.130 Uiso calc 1 . .
H H1C 0.5825 0.0954 0.2142 0.130 Uiso calc 1 . .
C C2 0.6250(3) 0.2550(3) 0.0734(2) 0.0517(7) Uani d 1 . .
H H2A 0.5583 0.1781 0.0276 0.078 Uiso calc 1 . .
H H2B 0.7017 0.2535 0.0751 0.078 Uiso calc 1 . .
H H2C 0.6217 0.3190 0.0506 0.078 Uiso calc 1 . .
C C3 0.7322(2) 0.4325(3) 0.2872(2) 0.0539(7) Uani d 1 . .
H H3A 0.7625 0.4829 0.2489 0.081 Uiso calc 1 . .
H H3B 0.7983 0.4239 0.3262 0.081 Uiso calc 1 . .
H H3C 0.6988 0.4697 0.3323 0.081 Uiso calc 1 . .
C C4 0.1995(2) 0.0972(2) 0.1565(2) 0.0443(6) Uani d 1 . .
H H4A 0.1965 0.1676 0.1972 0.066 Uiso calc 1 . .
H H4B 0.1485 0.0265 0.1687 0.066 Uiso calc 1 . .
H H4C 0.1705 0.0858 0.0859 0.066 Uiso calc 1 . .
C C5 0.3946(2) 0.1077(2) 0.3154(2) 0.0433(6) Uani d 1 . .
H H5A 0.4650 0.0928 0.3264 0.065 Uiso calc 1 . .
H H5B 0.3262 0.0417 0.3191 0.065 Uiso calc 1 . .
H H5C 0.4128 0.1826 0.3666 0.065 Uiso calc 1 . .
C C6 0.3559(3) -0.0021(3) 0.0910(2) 0.0583(8) Uani d 1 . .
H H6A 0.3386 0.0099 0.0272 0.087 Uiso calc 1 . .
H H6B 0.2941 -0.0795 0.0855 0.087 Uiso calc 1 . .
H H6C 0.4351 -0.0006 0.1080 0.087 Uiso calc 1 . .
C C7 0.0637(2) 0.2099(2) -0.0030(2) 0.0447(6) Uani d 1 . .
H H7A 0.0499 0.1267 -0.0250 0.067 Uiso calc 1 . .
H H7B 0.0159 0.2226 -0.0564 0.067 Uiso calc 1 . .
H H7C 0.0397 0.2270 0.0564 0.067 Uiso calc 1 . .
C C8 0.2971(3) 0.2308(3) -0.04103(17) 0.0472(7) Uani d 1 . .
H H8A 0.3813 0.2862 -0.0280 0.071 Uiso calc 1 . .
H H8B 0.2536 0.1990 -0.1127 0.071 Uiso calc 1 . .
H H8C 0.2936 0.1648 -0.0183 0.071 Uiso calc 1 . .
C C9 0.2465(2) 0.4447(2) -0.00733(17) 0.0392(5) Uani d 1 . .
H H9A 0.2120 0.4890 0.0302 0.059 Uiso calc 1 . .
H H9B 0.2056 0.4191 -0.0789 0.059 Uiso calc 1 . .
H H9C 0.3325 0.4963 0.0085 0.059 Uiso calc 1 . .
C C10 -0.0606(2) 0.1388(2) 0.2237(2) 0.0481(6) Uani d 1 . .
H H10A -0.1082 0.1654 0.1831 0.072 Uiso calc 1 . .
H H10B -0.1109 0.0892 0.2544 0.072 Uiso calc 1 . .
H H10C -0.0320 0.0919 0.1815 0.072 Uiso calc 1 . .
C C11 0.0147(3) 0.3501(3) 0.4110(2) 0.0465(6) Uani d 1 . .
H H11A 0.0827 0.4211 0.4631 0.070 Uiso calc 1 . .
H H11B -0.0296 0.2958 0.4416 0.070 Uiso calc 1 . .
H H11C -0.0392 0.3741 0.3741 0.070 Uiso calc 1 . .
C C12 0.1624(3) 0.2200(3) 0.3995(2) 0.0469(6) Uani d 1 . .
H H12A 0.1869 0.1699 0.3557 0.070 Uiso calc 1 . .
H H12B 0.1138 0.1734 0.4327 0.070 Uiso calc 1 . .
H H12C 0.2342 0.2892 0.4497 0.070 Uiso calc 1 . .
C C13 0.4009(2) 0.8176(2) 0.39408(18) 0.0376(5) Uani d 1 . .
H H13A 0.3302 0.8261 0.3640 0.056 Uiso calc 1 . .
H H13B 0.4730 0.8947 0.4175 0.056 Uiso calc 1 . .
H H13C 0.3907 0.7914 0.4505 0.056 Uiso calc 1 . .
C C14 0.55987(19) 0.70951(19) 0.36919(19) 0.0343(5) Uani d 1 . .
H H14A 0.5512 0.6912 0.4292 0.051 Uiso calc 1 . .
H H14B 0.6264 0.7896 0.3883 0.051 Uiso calc 1 . .
H H14C 0.5768 0.6506 0.3269 0.051 Uiso calc 1 . .
C C15 0.4489(2) 0.7538(2) 0.1936(2) 0.0420(6) Uani d 1 . .
H H15A 0.4773 0.7035 0.1548 0.063 Uiso calc 1 . .
H H15B 0.5109 0.8373 0.2200 0.063 Uiso calc 1 . .
H H15C 0.3750 0.7466 0.1507 0.063 Uiso calc 1 . .
C C16 0.1596(2) 0.6979(2) 0.1776(2) 0.0449(6) Uani d 1 . .
H H16A 0.2305 0.7723 0.2221 0.067 Uiso calc 1 . .
H H16B 0.0875 0.7100 0.1711 0.067 Uiso calc 1 . .
H H16C 0.1687 0.6744 0.1119 0.067 Uiso calc 1 . .
C C17 0.1115(2) 0.6141(2) 0.3497(2) 0.0405(5) Uani d 1 . .
H H17A 0.1503 0.5863 0.3961 0.061 Uiso calc 1 . .
H H17B 0.0243 0.5749 0.3365 0.061 Uiso calc 1 . .
H H17C 0.1426 0.7009 0.3792 0.061 Uiso calc 1 . .
C C18 0.0096(2) 0.4459(2) 0.1325(2) 0.0436(6) Uani d 1 . .
H H18A 0.0295 0.4246 0.0715 0.065 Uiso calc 1 . .
H H18B -0.0568 0.4665 0.1189 0.065 Uiso calc 1 . .
H H18C -0.0145 0.3779 0.1554 0.065 Uiso calc 1 . .
Cl Cl1 0.39377(4) 0.54640(5) 0.51614(3) 0.02502(10) Uani d 1 . .
Cl Cl2 0.54536(5) 0.48760(5) 0.15850(4) 0.03183(11) Uani d 1 . .
N N1 0.46063(15) 0.26090(15) 0.19051(12) 0.0242(3) Uani d 1 . .
N N2 0.30091(14) 0.36004(14) 0.15804(12) 0.0208(3) Uani d 1 . .
N N3 0.14924(14) 0.36071(15) 0.26758(13) 0.0252(3) Uani d 1 . .
N N4 0.28301(14) 0.56547(14) 0.25223(12) 0.0210(3) Uani d 1 . .
P P1 0.43459(4) 0.37814(4) 0.21907(3) 0.01973(10) Uani d 1 . .
P P2 0.27309(4) 0.43630(4) 0.26184(3) 0.01800(9) Uani d 1 . .
Pd Pd1 0.43737(2) 0.45924(2) 0.37046(2) 0.01843(5) Uani d 1 . .
Si Si1 0.61214(6) 0.28225(6) 0.20011(5) 0.03514(14) Uani d 1 . .
Si Si2 0.35607(6) 0.11934(5) 0.19020(5) 0.03079(13) Uani d 1 . .
Si Si3 0.22635(6) 0.31142(5) 0.02732(4) 0.02928(13) Uani d 1 . .
Si Si4 0.07178(5) 0.27242(5) 0.32387(5) 0.02940(13) Uani d 1 . .
Si Si5 0.41760(5) 0.70410(5) 0.29902(4) 0.02496(11) Uani d 1 . .
Si Si6 0.14410(5) 0.57669(5) 0.23102(5) 0.02895(13) Uani d 1 . .
O O1A 0.9440(2) 0.1275(2) 0.5576(2) 0.0579(8) Uani d 0.788(5) A 1
C C19A 1.1344(4) 0.2281(5) 0.6796(4) 0.0839(14) Uiso d 0.788(5) A 1
H H19A 1.1836 0.2323 0.7423 0.126 Uiso calc 0.788(5) A 1
H H19B 1.1707 0.2137 0.6277 0.126 Uiso calc 0.788(5) A 1
H H19C 1.1303 0.3037 0.6889 0.126 Uiso calc 0.788(5) A 1
C C20A 1.0105(4) 0.1284(5) 0.6491(3) 0.0791(13) Uiso d 0.788(5) A 1
H H20A 1.0131 0.0513 0.6394 0.095 Uiso calc 0.788(5) A 1
H H20B 0.9726 0.1418 0.7008 0.095 Uiso calc 0.788(5) A 1
C C21A 0.8231(3) 0.0430(4) 0.5182(3) 0.0676(11) Uiso d 0.788(5) A 1
H H21A 0.7833 0.0527 0.5691 0.081 Uiso calc 0.788(5) A 1
H H21B 0.8173 -0.0383 0.5007 0.081 Uiso calc 0.788(5) A 1
C C22A 0.7602(5) 0.0556(5) 0.4282(3) 0.0604(11) Uiso d 0.788(5) A 1
H H22A 0.6756 -0.0048 0.4022 0.091 Uiso calc 0.788(5) A 1
H H22B 0.7647 0.1355 0.4456 0.091 Uiso calc 0.788(5) A 1
H H22C 0.7986 0.0446 0.3772 0.091 Uiso calc 0.788(5) A 1
O O1B 0.8894(7) 0.1045(8) 0.6139(6) 0.050(2) Uani d 0.212(5) A 2
C C19B 1.0964(9) 0.2188(16) 0.7046(13) 0.080(2) Uiso d 0.212(5) A 2
H H19D 1.1774 0.2298 0.7061 0.121 Uiso calc 0.212(5) A 2
H H19E 1.0905 0.2919 0.7045 0.121 Uiso calc 0.212(5) A 2
H H19F 1.0809 0.2016 0.7635 0.121 Uiso calc 0.212(5) A 2
C C20B 1.0053(8) 0.1165(16) 0.6123(12) 0.0791(18) Uiso d 0.212(5) A 2
H H20C 1.0200 0.1327 0.5521 0.095 Uiso calc 0.212(5) A 2
H H20D 1.0104 0.0420 0.6115 0.095 Uiso calc 0.212(5) A 2
C C21B 0.7957(10) 0.0114(9) 0.5278(9) 0.0730(17) Uiso d 0.212(5) A 2
H H21C 0.7248 -0.0318 0.5462 0.088 Uiso calc 0.212(5) A 2
H H21D 0.8233 -0.0463 0.4977 0.088 Uiso calc 0.212(5) A 2
C C22B 0.7628(16) 0.0660(17) 0.4551(9) 0.060(2) Uiso d 0.212(5) A 2
H H22D 0.6982 0.0030 0.3951 0.090 Uiso calc 0.212(5) A 2
H H22E 0.7352 0.1226 0.4854 0.090 Uiso calc 0.212(5) A 2
H H22F 0.8334 0.1081 0.4371 0.090 Uiso calc 0.212(5) A 2
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'
Si Si 0.0817 0.0704 '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'
Pd Pd -0.9988 1.0072 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
Si1 C1 H1A . 109.5
Si1 C1 H1B . 109.5
H1A C1 H1B . 109.5
Si1 C1 H1C . 109.5
H1A C1 H1C . 109.5
H1B C1 H1C . 109.5
Si1 C2 H2A . 109.5
Si1 C2 H2B . 109.5
H2A C2 H2B . 109.5
Si1 C2 H2C . 109.5
H2A C2 H2C . 109.5
H2B C2 H2C . 109.5
Si1 C3 H3A . 109.5
Si1 C3 H3B . 109.5
H3A C3 H3B . 109.5
Si1 C3 H3C . 109.5
H3A C3 H3C . 109.5
H3B C3 H3C . 109.5
Si2 C4 H4A . 109.5
Si2 C4 H4B . 109.5
H4A C4 H4B . 109.5
Si2 C4 H4C . 109.5
H4A C4 H4C . 109.5
H4B C4 H4C . 109.5
Si2 C5 H5A . 109.5
Si2 C5 H5B . 109.5
H5A C5 H5B . 109.5
Si2 C5 H5C . 109.5
H5A C5 H5C . 109.5
H5B C5 H5C . 109.5
Si2 C6 H6A . 109.5
Si2 C6 H6B . 109.5
H6A C6 H6B . 109.5
Si2 C6 H6C . 109.5
H6A C6 H6C . 109.5
H6B C6 H6C . 109.5
Si3 C7 H7A . 109.5
Si3 C7 H7B . 109.5
H7A C7 H7B . 109.5
Si3 C7 H7C . 109.5
H7A C7 H7C . 109.5
H7B C7 H7C . 109.5
Si3 C8 H8A . 109.5
Si3 C8 H8B . 109.5
H8A C8 H8B . 109.5
Si3 C8 H8C . 109.5
H8A C8 H8C . 109.5
H8B C8 H8C . 109.5
Si3 C9 H9A . 109.5
Si3 C9 H9B . 109.5
H9A C9 H9B . 109.5
Si3 C9 H9C . 109.5
H9A C9 H9C . 109.5
H9B C9 H9C . 109.5
Si4 C10 H10A . 109.5
Si4 C10 H10B . 109.5
H10A C10 H10B . 109.5
Si4 C10 H10C . 109.5
H10A C10 H10C . 109.5
H10B C10 H10C . 109.5
Si4 C11 H11A . 109.5
Si4 C11 H11B . 109.5
H11A C11 H11B . 109.5
Si4 C11 H11C . 109.5
H11A C11 H11C . 109.5
H11B C11 H11C . 109.5
Si4 C12 H12A . 109.5
Si4 C12 H12B . 109.5
H12A C12 H12B . 109.5
Si4 C12 H12C . 109.5
H12A C12 H12C . 109.5
H12B C12 H12C . 109.5
Si5 C13 H13A . 109.5
Si5 C13 H13B . 109.5
H13A C13 H13B . 109.5
Si5 C13 H13C . 109.5
H13A C13 H13C . 109.5
H13B C13 H13C . 109.5
Si5 C14 H14A . 109.5
Si5 C14 H14B . 109.5
H14A C14 H14B . 109.5
Si5 C14 H14C . 109.5
H14A C14 H14C . 109.5
H14B C14 H14C . 109.5
Si5 C15 H15A . 109.5
Si5 C15 H15B . 109.5
H15A C15 H15B . 109.5
Si5 C15 H15C . 109.5
H15A C15 H15C . 109.5
H15B C15 H15C . 109.5
Si6 C16 H16A . 109.5
Si6 C16 H16B . 109.5
H16A C16 H16B . 109.5
Si6 C16 H16C . 109.5
H16A C16 H16C . 109.5
H16B C16 H16C . 109.5
Si6 C17 H17A . 109.5
Si6 C17 H17B . 109.5
H17A C17 H17B . 109.5
Si6 C17 H17C . 109.5
H17A C17 H17C . 109.5
H17B C17 H17C . 109.5
Si6 C18 H18A . 109.5
Si6 C18 H18B . 109.5
H18A C18 H18B . 109.5
Si6 C18 H18C . 109.5
H18A C18 H18C . 109.5
H18B C18 H18C . 109.5
Pd1 Cl1 Pd1 2_666 91.589(15)
P1 N1 Si2 . 120.40(10)
P1 N1 Si1 . 119.78(10)
Si2 N1 Si1 . 116.70(9)
P1 N2 P2 . 97.45(8)
P1 N2 Si3 . 130.40(10)
P2 N2 Si3 . 130.69(9)
P2 N3 Si4 . 146.58(11)
P2 N4 Si5 . 125.76(9)
P2 N4 Si6 . 115.33(9)
Si5 N4 Si6 . 115.66(9)
N1 P1 N2 . 116.97(8)
N1 P1 Cl2 . 101.47(7)
N2 P1 Cl2 . 101.22(6)
N1 P1 Pd1 . 120.46(6)
N2 P1 Pd1 . 97.69(6)
Cl2 P1 Pd1 . 118.18(3)
N1 P1 P2 . 140.56(7)
Cl2 P1 P2 . 114.75(3)
Pd1 P1 P2 . 54.935(15)
N3 P2 N4 . 110.53(9)
N3 P2 N2 . 111.64(9)
N4 P2 N2 . 108.49(8)
N3 P2 Pd1 . 118.85(7)
N4 P2 Pd1 . 112.87(6)
N2 P2 Pd1 . 92.90(5)
N3 P2 P1 . 131.03(7)
N4 P2 P1 . 116.17(6)
Pd1 P2 P1 . 53.685(15)
P1 Pd1 P2 . 71.380(18)
P1 Pd1 Cl1 . 165.791(17)
P2 Pd1 Cl1 . 94.413(16)
P1 Pd1 Cl1 2_666 105.637(16)
P2 Pd1 Cl1 2_666 171.920(18)
Cl1 Pd1 Cl1 2_666 88.411(15)
N1 Si1 C2 . 108.05(12)
N1 Si1 C1 . 110.50(12)
C2 Si1 C1 . 110.16(18)
N1 Si1 C3 . 114.01(10)
C2 Si1 C3 . 110.42(14)
C1 Si1 C3 . 103.65(19)
N1 Si2 C4 . 112.48(10)
N1 Si2 C5 . 110.76(10)
C4 Si2 C5 . 107.33(13)
N1 Si2 C6 . 108.33(12)
C4 Si2 C6 . 105.24(15)
C5 Si2 C6 . 112.64(13)
N2 Si3 C9 . 108.72(10)
N2 Si3 C7 . 109.53(11)
C9 Si3 C7 . 110.83(12)
N2 Si3 C8 . 108.61(10)
C9 Si3 C8 . 109.09(13)
C7 Si3 C8 . 110.02(13)
N3 Si4 C11 . 112.26(11)
N3 Si4 C12 . 113.80(11)
C11 Si4 C12 . 105.73(14)
N3 Si4 C10 . 107.63(11)
C11 Si4 C10 . 108.40(13)
C12 Si4 C10 . 108.88(14)
N4 Si5 C14 . 118.23(9)
N4 Si5 C15 . 109.61(10)
C14 Si5 C15 . 105.73(12)
N4 Si5 C13 . 109.35(10)
C14 Si5 C13 . 101.96(11)
C15 Si5 C13 . 111.74(12)
N4 Si6 C17 . 110.54(10)
N4 Si6 C18 . 116.19(10)
C17 Si6 C18 . 110.40(13)
N4 Si6 C16 . 108.40(10)
C17 Si6 C16 . 109.50(12)
C18 Si6 C16 . 101.29(12)
C21A O1A C20A . 115.6(3)
C20A C19A H19A . 109.5
C20A C19A H19B . 109.5
H19A C19A H19B . 109.5
C20A C19A H19C . 109.5
H19A C19A H19C . 109.5
H19B C19A H19C . 109.5
O1A C20A C19A . 106.5(4)
O1A C20A H20A . 110.4
C19A C20A H20A . 110.4
O1A C20A H20B . 110.4
C19A C20A H20B . 110.4
H20A C20A H20B . 108.6
O1A C21A C22A . 111.4(4)
O1A C21A H21A . 109.4
C22A C21A H21A . 109.4
O1A C21A H21B . 109.4
C22A C21A H21B . 109.4
H21A C21A H21B . 108.0
C21A C22A H22A . 109.5
C21A C22A H22B . 109.5
H22A C22A H22B . 109.5
C21A C22A H22C . 109.5
H22A C22A H22C . 109.5
H22B C22A H22C . 109.5
C21B O1B C20B . 111.9(4)
C20B C19B H19D . 109.5
C20B C19B H19E . 109.5
H19D C19B H19E . 109.5
C20B C19B H19F . 109.5
H19D C19B H19F . 109.5
H19E C19B H19F . 109.5
O1B C20B C19B . 107.1(4)
O1B C20B H20C . 110.3
C19B C20B H20C . 110.3
O1B C20B H20D . 110.3
C19B C20B H20D . 110.3
H20C C20B H20D . 108.5
O1B C21B C22B . 108.3(4)
O1B C21B H21C . 110.0
C22B C21B H21C . 110.0
O1B C21B H21D . 110.0
C22B C21B H21D . 110.0
H21C C21B H21D . 108.4
C21B C22B H22D . 109.5
C21B C22B H22E . 109.5
H22D C22B H22E . 109.5
C21B C22B H22F . 109.5
H22D C22B H22F . 109.5
H22E C22B H22F . 109.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
C1 Si1 . 1.858(3)
C1 H1A . 0.9800
C1 H1B . 0.9800
C1 H1C . 0.9800
C2 Si1 . 1.853(3)
C2 H2A . 0.9800
C2 H2B . 0.9800
C2 H2C . 0.9800
C3 Si1 . 1.865(3)
C3 H3A . 0.9800
C3 H3B . 0.9800
C3 H3C . 0.9800
C4 Si2 . 1.844(3)
C4 H4A . 0.9800
C4 H4B . 0.9800
C4 H4C . 0.9800
C5 Si2 . 1.860(3)
C5 H5A . 0.9800
C5 H5B . 0.9800
C5 H5C . 0.9800
C6 Si2 . 1.862(3)
C6 H6A . 0.9800
C6 H6B . 0.9800
C6 H6C . 0.9800
C7 Si3 . 1.862(3)
C7 H7A . 0.9800
C7 H7B . 0.9800
C7 H7C . 0.9800
C8 Si3 . 1.864(3)
C8 H8A . 0.9800
C8 H8B . 0.9800
C8 H8C . 0.9800
C9 Si3 . 1.857(2)
C9 H9A . 0.9800
C9 H9B . 0.9800
C9 H9C . 0.9800
C10 Si4 . 1.877(3)
C10 H10A . 0.9800
C10 H10B . 0.9800
C10 H10C . 0.9800
C11 Si4 . 1.863(3)
C11 H11A . 0.9800
C11 H11B . 0.9800
C11 H11C . 0.9800
C12 Si4 . 1.868(3)
C12 H12A . 0.9800
C12 H12B . 0.9800
C12 H12C . 0.9800
C13 Si5 . 1.872(2)
C13 H13A . 0.9800
C13 H13B . 0.9800
C13 H13C . 0.9800
C14 Si5 . 1.864(2)
C14 H14A . 0.9800
C14 H14B . 0.9800
C14 H14C . 0.9800
C15 Si5 . 1.867(2)
C15 H15A . 0.9800
C15 H15B . 0.9800
C15 H15C . 0.9800
C16 Si6 . 1.882(3)
C16 H16A . 0.9800
C16 H16B . 0.9800
C16 H16C . 0.9800
C17 Si6 . 1.858(3)
C17 H17A . 0.9800
C17 H17B . 0.9800
C17 H17C . 0.9800
C18 Si6 . 1.865(3)
C18 H18A . 0.9800
C18 H18B . 0.9800
C18 H18C . 0.9800
Cl1 Pd1 . 2.4296(5)
Cl1 Pd1 2_666 2.4815(4)
Cl2 P1 . 2.0867(7)
N1 P1 . 1.6519(16)
N1 Si2 . 1.8032(19)
N1 Si1 . 1.8112(18)
N2 P1 . 1.6556(16)
N2 P2 . 1.7772(16)
N2 Si3 . 1.7865(17)
N3 P2 . 1.5346(17)
N3 Si4 . 1.6950(18)
N4 P2 . 1.6736(16)
N4 Si5 . 1.7881(17)
N4 Si6 . 1.8029(16)
P1 Pd1 . 2.1947(5)
P2 Pd1 . 2.2294(5)
Pd1 Cl1 2_666 2.4815(4)
O1A C21A . 1.394(3)
O1A C20A . 1.430(3)
C19A C20A . 1.492(4)
C19A H19A . 0.9800
C19A H19B . 0.9800
C19A H19C . 0.9800
C20A H20A . 0.9900
C20A H20B . 0.9900
C21A C22A . 1.482(3)
C21A H21A . 0.9900
C21A H21B . 0.9900
C22A H22A . 0.9800
C22A H22B . 0.9800
C22A H22C . 0.9800
O1B C21B . 1.422(4)
O1B C20B . 1.429(4)
C19B C20B . 1.500(4)
C19B H19D . 0.9800
C19B H19E . 0.9800
C19B H19F . 0.9800
C20B H20C . 0.9900
C20B H20D . 0.9900
C21B C22B . 1.494(4)
C21B H21C . 0.9900
C21B H21D . 0.9900
C22B H22D . 0.9800
C22B H22E . 0.9800
C22B H22F . 0.9800
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C3 H3C Cl1 2_666 0.98 2.72 3.564(3) 144
C14 H14C Cl2 . 0.98 2.67 3.585(2) 156
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
Si2 N1 P1 N2 -51.67(14)
Si1 N1 P1 N2 148.97(10)
Si2 N1 P1 Cl2 -160.70(9)
Si1 N1 P1 Cl2 39.95(11)
Si2 N1 P1 Pd1 66.59(12)
Si1 N1 P1 Pd1 -92.77(11)
Si2 N1 P1 P2 -3.89(17)
Si1 N1 P1 P2 -163.24(5)
P2 N2 P1 N1 136.44(8)
Si3 N2 P1 N1 -56.48(15)
P2 N2 P1 Cl2 -114.39(6)
Si3 N2 P1 Cl2 52.69(13)
P2 N2 P1 Pd1 6.45(7)
Si3 N2 P1 Pd1 173.53(11)
Si3 N2 P1 P2 167.07(18)
Si4 N3 P2 N4 -136.4(2)
Si4 N3 P2 N2 102.7(2)
Si4 N3 P2 Pd1 -3.6(3)
Si4 N3 P2 P1 61.8(3)
Si5 N4 P2 N3 149.26(11)
Si6 N4 P2 N3 -9.39(13)
Si5 N4 P2 N2 -88.03(12)
Si6 N4 P2 N2 113.32(10)
Si5 N4 P2 Pd1 13.45(13)
Si6 N4 P2 Pd1 -145.20(7)
Si5 N4 P2 P1 -45.96(13)
Si6 N4 P2 P1 155.39(7)
P1 N2 P2 N3 -128.98(9)
Si3 N2 P2 N3 64.00(15)
P1 N2 P2 N4 108.99(9)
Si3 N2 P2 N4 -58.03(14)
P1 N2 P2 Pd1 -6.30(7)
Si3 N2 P2 Pd1 -173.32(11)
Si3 N2 P2 P1 -167.02(18)
P1 N1 Si1 C2 -100.16(14)
Si2 N1 Si1 C2 99.74(14)
P1 N1 Si1 C1 139.3(2)
Si2 N1 Si1 C1 -20.8(2)
P1 N1 Si1 C3 23.00(17)
Si2 N1 Si1 C3 -137.10(13)
P1 N1 Si2 C4 30.84(16)
Si1 N1 Si2 C4 -169.18(13)
P1 N1 Si2 C5 -89.26(14)
Si1 N1 Si2 C5 70.71(14)
P1 N1 Si2 C6 146.73(14)
Si1 N1 Si2 C6 -53.29(15)
P1 N2 Si3 C9 -99.16(15)
P2 N2 Si3 C9 63.83(16)
P1 N2 Si3 C7 139.60(14)
P2 N2 Si3 C7 -57.41(16)
P1 N2 Si3 C8 19.42(18)
P2 N2 Si3 C8 -177.58(14)
P2 N3 Si4 C11 105.7(2)
P2 N3 Si4 C12 -14.4(3)
P2 N3 Si4 C10 -135.1(2)
P2 N4 Si5 C14 -2.46(17)
Si6 N4 Si5 C14 156.13(11)
P2 N4 Si5 C15 118.75(14)
Si6 N4 Si5 C15 -82.67(13)
P2 N4 Si5 C13 -118.43(13)
Si6 N4 Si5 C13 40.16(13)
P2 N4 Si6 C17 80.04(13)
Si5 N4 Si6 C17 -80.83(13)
P2 N4 Si6 C18 -46.76(15)
Si5 N4 Si6 C18 152.37(12)
P2 N4 Si6 C16 -159.94(12)
Si5 N4 Si6 C16 39.19(14)
C21A O1A C20A C19A -177.5(4)
C20A O1A C21A C22A 175.5(4)
C21B O1B C20B C19B 178.5(15)
C20B O1B C21B C22B -98.0(17)

_cod_database_fobs_code 1543534
