Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.
Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr; Dalton transactions (Cambridge, England : 2003) 49 (2020) 1011–1021; doi:10.1039/c9dt04521j

data_7703189
_publ_section_title
;
 Synthesis and characterisation of Pd(ii) and Au(i) complexes with
 mesoionic carbene ligands bearing phosphinoferrocene substituents and
 isomeric carbene moieites.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1011
_journal_page_last               1021
_journal_paper_doi               10.1039/c9dt04521j
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C64 H58 Cl2 Fe2 N6 P2 Pd, 2(B F4)'
_chemical_formula_sum            'C64 H58 B2 Cl2 F8 Fe2 N6 P2 Pd'
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_space_group_name_Hall           '-P 1'
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_audit_update_record
;
2019-11-22 deposited with the CCDC.	2020-01-02 downloaded from the CCDC.
;
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_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 VENTURE Kappa Duo PHOTON 100 CMOS'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'Quazar Mo multilayer optic'
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_exptl_crystal_colour            orange
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         5502
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0578
_refine_ls_R_factor_gt           0.0449
_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^)+(0.0690P)^2^+1.5584P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1186
_refine_ls_wR_factor_ref         0.1262
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_reflns_number_gt                4489
_reflns_number_total             5502
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7703178--7703193.cif.'
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_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.163
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