New porphyrinoids: vanadyl(IV) complexes of meso-aryl-substituted corrphycene and 10-oxocorrole ligands.
Bröring, Martin; Hell, Christian; Brégier, Frédérique; Burghaus, Olaf; Tejero, Esther Cónsul; Inorganic chemistry 46 (2007) 5477–5479; doi:10.1021/ic700844p

data_4333378
_publ_section_title
;
 New porphyrinoids: vanadyl(IV) complexes of meso-aryl-substituted
 corrphycene and 10-oxocorrole ligands.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5477
_journal_page_last               5479
_journal_paper_doi               10.1021/ic700844p
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C49 H54 N4 O2 V'
_chemical_formula_weight         781.90
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_atom_sites_solution_primary     direct
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_cell_length_b                   14.043(2)
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_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      25.95
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_computing_cell_refinement       'STOE Wincell (X-Area)'
_computing_data_collection       'STOE WinXpose (X-Area)'
_computing_data_reduction        'STOE WinIntegrate (X-Area)'
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_computing_structure_solution    SIR-2002
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.941
_diffrn_measured_fraction_theta_max 0.941
_diffrn_measurement_device_type  'IPDS-I (STOE)'
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_k_min       -16
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_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.283
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_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^)+(0.1082P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1530
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic700844psup2.cif
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_cod_depositor_comments
'Adding full bibliography for 4333377--4333378.cif.'
_cod_original_cell_volume        2023.7(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4333378