Neutral π-radicals of lithium porphyrins: synthesis and characterization
Gebauer, Andreas; Dawson, Denisha Y.; Arnold, John; Journal of the Chemical Society, Dalton Transactions  (2000) 111–; doi:10.1039/a908956j

data_7009145
_publ_contact_author
;
 John Arnold 
 Department of Chemistry, University of California, Berkeley, CA 94720
;
_publ_section_title
;
 Neutral \p-radicals of lithium porphyrins: synthesis and
 characterization
;
_journal_issue                   2
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              111
_journal_paper_doi               10.1039/a908956j
_journal_year                    2000
_chemical_formula_moiety         'C44 H28 Li N4 '
_chemical_formula_sum            'C44 H28 Li N4'
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_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
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_audit_creation_date             'Tue Sep  7 14:50:08 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                95.305(2)
_cell_angle_beta                 99.351(2)
_cell_angle_gamma                101.149(2)
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_cell_length_b                   10.3539(4)
_cell_length_c                   12.3020(4)
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_cell_measurement_temperature    273.2
_cell_measurement_theta_max      0.0
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_cell_volume                     786.38(4)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    'sir 92'
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_diffrn_measurement_device       SMART
_diffrn_measurement_method       'omega scans with profile analysis'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_h_min       0
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_diffrn_reflns_limit_k_min       -11
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_diffrn_reflns_number            3152
_diffrn_reflns_theta_max         23.25
_diffrn_standards_decay_%        0.00
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_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.077
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'bright purple'
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
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_reflns_number_observed          1719
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_reflns_observed_criterion       '3.00 sigma'
_cod_data_source_file            a908956j.txt
_cod_data_source_block           LiTPP
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 39 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C44 H28 Li N4 '
_cod_database_code               7009145