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-κ^2^<i>P</i>,<i>P</i>'}palladium(II)) diethyl ether disolvate
Höhne, Martha; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe; IUCrData 1 (2016) x160986–; doi:10.1107/S241431461600986X

data_1543534
_publ_section_title
;
 Di-\m-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-\k^2^<i>P</i>,<i>P</i>'}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-\m-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-\k^2^<i>P</i>,<i>P</i>'}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       '\f and \w 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/[\s^2^(Fo^2^)+(0.0355P)^2^+2.0017P] where P=(Fo^2^+2Fc^2^)/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 > 2\s(I)'
_cod_data_source_file            is4009sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        2044.32(8)
_cod_database_code               1543534
_shelx_hkl_checksum              16008
_shelx_res_checksum              76629
_cod_database_fobs_code 1543534