Porphyrin Pincer Complexes: Peripherally Cyclometalated Porphyrins and Their Catalytic Activities Controlled by Central Metals
Shigeru Yamaguchi; Taisuke Katoh; Hiroshi Shinokubo; Atsuhiro Osuka; Journal of the American Chemical Society 129 (2007) 6392–6393; doi:10.1021/ja072218s

data_4109436
_publ_section_title
;
 Porphyrin Pincer Complexes: Peripherally Cyclometalated Porphyrins and
 Their Catalytic Activities Controlled by Central Metals
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6392
_journal_page_last               6393
_journal_paper_doi               10.1021/ja072218s
_journal_volume                  129
_journal_year                    2007
_chemical_formula_moiety         'C73 H82 N6 O Zn, C2 H4 Cl2, C H4 O'
_chemical_formula_sum            'C76 H90 Cl2 N6 O2 Zn'
_chemical_formula_weight         1255.81
_chemical_name_systematic
; 
 ? 
;
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_symmetry_space_group_name_Hall  '-P 1'
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_cell_angle_beta                 93.323(2)
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_cell_length_b                   16.4724(15)
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_cell_measurement_temperature    90(2)
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_cell_measurement_theta_min      2.23
_cell_volume                     3372.1(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.877
_diffrn_measured_fraction_theta_max 0.877
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_h_min       -11
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_diffrn_reflns_theta_full        28.23
_diffrn_reflns_theta_max         28.23
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_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0570
_refine_ls_R_factor_gt           0.0473
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0709P)^2^+1.9753P] 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_original_cell_volume        3372.2(6)
_cod_database_code               4109436