Comparing the reactivity of isomeric phosphinoferrocene nitrile and isocyanide in Pd(ii) complexes: synthesis of simple coordination compounds vs. preparation of P-chelated insertion products and Fischer-type carbenes.
Škoch, Karel; Císařová, Ivana; Uhlík, Filip; Štěpnička, Petr; Dalton transactions (Cambridge, England : 2003) 47 (2018) 16082–16101; doi:10.1039/c8dt03564d

data_7047635
_publ_section_title
;
 Comparing the reactivity of isomeric phosphinoferrocene nitrile and
 isocyanide in Pd(ii) complexes: synthesis of simple coordination
 compounds vs. preparation of P-chelated insertion products and
 Fischer-type carbenes.
;
_journal_issue                   45
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16082
_journal_page_last               16101
_journal_paper_doi               10.1039/c8dt03564d
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C33 H33 Cl Fe N2 P Pd, B F4, 3(C H Cl3)'
_chemical_formula_sum            'C36 H36 B Cl10 F4 Fe N2 P Pd'
_chemical_formula_weight         1131.20
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_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_H-M   'P -1'
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_audit_update_record
;
2018-07-23 deposited with the CCDC.
2018-09-21 downloaded from the CCDC.
;
_cell_angle_alpha                94.486(2)
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_cell_angle_gamma                97.209(2)
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_cell_length_c                   17.2042(8)
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_cell_measurement_temperature    150(2)
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_cell_measurement_theta_min      2.39
_cell_volume                     2205.82(18)
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_computing_molecular_graphics    'PLATON (Spek, 2016)'
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_computing_structure_solution    'XT, VERSION 2014/5'
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_diffrn_measured_fraction_theta_max 0.996
_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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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
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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^)+(0.0328P)^2^+4.4814P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0800
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_reflns_number_gt                9679
_reflns_number_total             10120
_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 7047627--7047638.cif.'
_cod_database_code               7047635
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.674
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_shelx_res_checksum              78857