Two Organometallic Fragments Inclusioned in a 1,3-Alternate Calix[4]arene Tetraphosphane: Evidence for Transition Metal-Arene Interaction through the Cavity
Sanghoon Kim; Jong Seung Kim; Sung Kuk Kim; Il-Hwan Suh; Sang Ook Kang; Jaejung Ko; Inorganic Chemistry 44 (2005) 1846–1851; doi:10.1021/ic048402l

data_4300813
_publ_contact_author_name        'Jaejung Ko'
_publ_section_title
;

Two Organometallic Fragments Inclusioned in a 1,3-Alternate Calix[4]arene

Tetraphosphane: Evidence for Transition Metal-Arene Interaction through

the Cavity

;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1846
_journal_page_last               1851
_journal_paper_doi               10.1021/ic048402l
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C86 H80 Ag2 B2 Cl4 F8 O4 P4'
_chemical_formula_weight         1832.54
_chemical_name_systematic
;

?

;
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_symmetry_space_group_name_Hall  '-C 2yc'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 97.9780(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
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_cell_length_b                   13.7204(10)
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_cell_measurement_theta_max      23.108
_cell_measurement_theta_min      2.192
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_computing_cell_refinement       'SMART (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
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_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD diffractometer'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_h_max       25
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_diffrn_reflns_limit_k_min       -17
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_diffrn_reflns_limit_l_min       -43
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_exptl_absorpt_correction_T_min  0.604
_exptl_absorpt_correction_type   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colorless
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_exptl_crystal_size_max          0.254
_exptl_crystal_size_mid          0.218
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_refine_ls_extinction_coef       0.00016(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.883
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     498
_refine_ls_number_reflns         10374
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.883
_refine_ls_R_factor_all          0.1388
_refine_ls_R_factor_gt           0.0555
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0815P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     >2sigma(I)
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_cod_data_source_block           kor235bm
_cod_original_cell_volume        8336.9(11)
_cod_database_code               4300813