Antimony(i) →Pd(ii) complexes with the (μ-Sb)Pd<sub>2</sub> coordination framework.
Kořenková, Monika; Hejda, Martin; Jirásko, Robert; Block, Theresa; Uhlík, Filip; Jambor, Roman; RůŽička, Aleš; Pöttgen, Rainer; Dostál, Libor; Dalton transactions (Cambridge, England : 2003) 48 (2019) 11912–11920; doi:10.1039/c9dt02340b

data_7700417
_publ_section_title
;
 Antimony(i) \\rightarrow Pd(ii) complexes with the (\m-Sb)Pd<sub>2</sub>
 coordination framework.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11912
_journal_page_last               11920
_journal_paper_doi               10.1039/c9dt02340b
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C22 H33 Cl2 N2 Pd2 Sb, 2(C6 H6)'
_chemical_formula_sum            'C34 H45 Cl2 N2 Pd2 Sb'
_chemical_formula_weight         887.17
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           'APEX3 v2016.5-0'
_audit_update_record
;
2019-04-05 deposited with the CCDC.    2019-07-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 118.278(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.9651(10)
_cell_length_b                   22.9000(14)
_cell_length_c                   18.0049(13)
_cell_measurement_reflns_used    53544
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1
_cell_volume                     3618.4(6)
_computing_cell_refinement       'COLLECT and DENZO'
_computing_data_collection
'COLLECT (Hooft, 1998) and DENZO (Otwinowski & Minor, 1997)'
_computing_data_reduction        'COLLECT and DENZO'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker Nonius KappaCCD area detector'
_diffrn_measurement_method       '\f and \w scans to fill the Ewald sphere'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0434
_diffrn_reflns_av_unetI/netI     0.0217
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            53544
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_min         2.194
_exptl_absorpt_coefficient_mu    1.896
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_exptl_absorpt_correction_T_min  0.5794
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector
scaling and absorption correction
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.629
_exptl_crystal_description       block
_exptl_crystal_F_000             1760
_exptl_crystal_size_max          0.594
_exptl_crystal_size_mid          0.310
_exptl_crystal_size_min          0.262
_refine_diff_density_max         0.953
_refine_diff_density_min         -0.722
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.212
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         8104
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.222
_refine_ls_R_factor_all          0.0362
_refine_ls_R_factor_gt           0.0242
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0130P)^2^+5.6703P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0514
_refine_ls_wR_factor_ref         0.0590
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6890
_reflns_number_total             8104
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt02340b2.cif
_cod_data_source_block           ld181210Sb1
_cod_depositor_comments
'Adding full bibliography for 7700416--7700419.cif.'
_cod_original_cell_volume        3618.4(5)
_cod_database_code               7700417
_exptl_absorpt_special_details
;
The ratio of minimum to maximum
apparent transmission was 0.777
;
_shelxl_version_number           2013-4
_shelx_res_checksum              39180