Bite-angle bending as a key for understanding group-10 metal reactivity of d10-[M(NHC)2] complexes with sterically modest NHC ligands
Hering, Florian; Nitsch, Jörn; Paul, Ursula; Steffen, Andreas; Bickelhaupt, F. Matthias; Radius, Udo; Chem. Sci. 6 (2015) 1426–; doi:10.1039/C4SC02998D

data_1518359
_publ_section_title
;
 Bite-angle bending as a key for understanding group-10 metal reactivity
 of d10-[M(NHC)2] complexes with sterically modest NHC ligands
;
_journal_issue                   2
_journal_name_full               'Chem. Sci.'
_journal_page_first              1426
_journal_paper_doi               10.1039/C4SC02998D
_journal_volume                  6
_journal_year                    2015
_chemical_formula_sum            'C28 H50 Cl4 N6 Pd'
_chemical_formula_weight         718.94
_chemical_name_systematic
;
 ?
;
_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
_audit_update_record
;
2014-09-19 deposited with the CCDC.
2014-12-03 downloaded from the CCDC.
;
_cell_angle_alpha                81.229(2)
_cell_angle_beta                 83.044(2)
_cell_angle_gamma                81.137(2)
_cell_formula_units_Z            2
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.06
_cell_measurement_theta_min      2.46
_cell_volume                     1731.26(19)
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_computing_data_collection       'APEX2 ver. 2014.1 (Bruker AXS)'
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_computing_publication_material  'XP in ShelxTL-97'
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_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker X8-APEX II'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_max 0.992
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_diffrn_reflns_limit_h_min       -11
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_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
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_diffrn_reflns_point_group_measured_fraction_full 0.995
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_exptl_crystal_size_min          0.170
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_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0302P)^2^+1.2271P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             6825
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 1518358--1518359.cif.'
_cod_database_code               1518359
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