Trans Doubly N-Confused Porphyrins: Cu(III) Complexation and Formation of Rodlike Hydrogen-Bonding Networks
Hiromitsu Maeda; Atsuhiro Osuka; Hiroyuki Furuta; Journal of the American Chemical Society 125 (2003) 15690–15691; doi:10.1021/ja038519t

data_4114544
_publ_section_title
;
 Trans Doubly N-Confused Porphyrins: Cu(III) Complexation and Formation of
 Rodlike Hydrogen-Bonding Networks
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15690
_journal_page_last               15691
_journal_paper_doi               10.1021/ja038519t
_journal_volume                  125
_journal_year                    2003
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_chemical_name_systematic
; 
 ? 
;
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_cell_volume                     4193.6(5)
_computing_cell_refinement       'Bruker SMART'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_min       -12
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_diffrn_reflns_theta_min         1.51
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  750
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_exptl_absorpt_coefficient_mu    0.166
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_exptl_absorpt_correction_T_min  0.9367
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_exptl_crystal_colour            purple
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         7155
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_refine_ls_R_factor_all          0.1373
_refine_ls_R_factor_gt           0.0985
_refine_ls_shift/su_max          9.557
_refine_ls_shift/su_mean         0.113
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            ja038519tsi20030915_115056_1.cif
_cod_data_source_block           trans-N2CP(4b)
_cod_original_formula_sum        'C49.50 H18.50 F20 N4 O1.50'
_cod_database_code               4114544