Modular functionalized polyphosphines for supported materials: previously unobserved 31P-NMR 'through-space' ABCD spin systems and heterogeneous palladium-catalysed C-C and C-H arylation
Matthieu Beauperin; Radomyr Smaliy; Helene Cattey; Philippe Meunier; Jun Ou; Patrick H. Toy; Jean-Cyrille Hierso; Chem.Commun. 50 (2014) 9505–; doi:10.1039/C4cc04307C

data_7115474
_publ_section_title
;
 Modular functionalized polyphosphines for supported materials: previously
 unobserved 31P-NMR 'through-space' ABCD spin systems and heterogeneous
 palladium-catalysed C-C and C-H arylation
;
_journal_name_full               Chem.Commun.
_journal_page_first              9505
_journal_paper_doi               10.1039/C4cc04307C
_journal_volume                  50
_journal_year                    2014
_chemical_formula_moiety         'C70 H66 Fe P4'
_chemical_formula_sum            'C70 H66 Fe P4'
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
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_cell_angle_beta                 106.8270(10)
_cell_angle_gamma                90
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_cell_length_b                   26.8418(3)
_cell_length_c                   19.2035(2)
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_cell_measurement_temperature    293(2)
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_cell_measurement_theta_min      1
_cell_volume                     5992.67(11)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'KappaCCD Server Software (Nonius,1997)'
_computing_data_reduction        'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEPIII (Burnett, 1996)'
_computing_publication_material  'SHELXL97 and WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.995
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0453
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_diffrn_reflns_Laue_measured_fraction_full 0.997
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_exptl_absorpt_coefficient_mu    0.399
_exptl_absorpt_correction_type   none
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_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0501P)^2^+1.3077P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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