A Z-type PGeP pincer germylene ligand in a T-shaped palladium(0) complex.
Cabeza, Javier A.; García-Álvarez, Pablo; Laglera-Gándara, Carlos J; Pérez-Carreño, Enrique; Chemical communications (Cambridge, England) 56 (2020) 14095–14097; doi:10.1039/d0cc06614a

data_7127422
_publ_section_title
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 A Z-type PGeP pincer germylene ligand in a T-shaped palladium(0) complex.
;
_journal_issue                   90
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              14095
_journal_page_last               14097
_journal_paper_doi               10.1039/d0cc06614a
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C25 H42 Cl2 Ge N2 P2 Pd'
_chemical_formula_sum            'C25 H42 Cl2 Ge N2 P2 Pd'
_chemical_formula_weight         682.43
_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'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2020-10-02 deposited with the CCDC.	2020-10-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.665(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.4960(2)
_cell_length_b                   18.4130(3)
_cell_length_c                   14.6710(3)
_cell_measurement_reflns_used    11320
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      69.4910
_cell_measurement_theta_min      3.9980
_cell_volume                     2975.06(10)
_computing_cell_refinement
'CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)'
_computing_data_collection
'CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)'
_computing_data_reduction
'CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)'
_computing_molecular_graphics
'MERCURY (Cambridge Crystallographic Data Centre: Cambridge, UK, 2020)'
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SIR-97 (Giacovazzo, 1999)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Xcalibur, Onyx, Nova'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0433
_diffrn_reflns_av_unetI/netI     0.0368
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            16009
_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_full        67.680
_diffrn_reflns_theta_max         69.641
_diffrn_reflns_theta_min         3.957
_exptl_absorpt_coefficient_mu    8.908
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.23726
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1392
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.080
_refine_diff_density_min         -0.849
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     308
_refine_ls_number_reflns         5525
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0392
_refine_ls_R_factor_gt           0.0363
_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^)+(0.0612P)^2^+1.1646P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0957
_refine_ls_wR_factor_ref         0.0998
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5074
_reflns_number_total             5525
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc06614a2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7127422--7127423.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7127422
_shelxl_version_number           2014-3
_shelx_res_checksum              79412