First example of a hexadentate bicyclic phthalocyanine analogue containing a divalent metal center.
Fukuda, Takamitsu; Shigeyoshi, Natsuko; Fuyuhiro, Akira; Ishikawa, Naoto; Dalton transactions (Cambridge, England : 2003) 42 (2013) 16486–16489; doi:10.1039/c3dt52170b

data_7023969
_publ_section_title
;
 First example of a hexadentate bicyclic phthalocyanine analogue
 containing a divalent metal center.
;
_journal_issue                   47
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16486
_journal_page_last               16489
_journal_paper_doi               10.1039/c3dt52170b
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C48.5 H28 Cd Cl N13 O'
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_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
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_diffrn_detector_area_resol_mean 10.000
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID 191R'
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_diffrn_reflns_Laue_measured_fraction_full 0.997
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.413
_exptl_crystal_description       column
_exptl_crystal_F_000             1932
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_refine_ls_extinction_method     none
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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^)+(0.0707P)^2^+7.7810P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1498
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                16462
_reflns_number_total             20569
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c3dt52170b.txt
_cod_data_source_block           cd_002_sq_s
_cod_original_cell_volume        4497.5(5)
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_shelx_estimated_absorpt_t_min   0.890
_shelx_estimated_absorpt_t_max   0.982
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