Oligopyridine bis(nitronyl nitroxides): synthesis, structures, electrochemical, magnetic and electronic properties
Ziessel, Raymond; Ulrich, Gilles; Lawson, Raphael C.; Echegoyen, Luis; Journal of Materials Chemistry 9 (1999) 1435–; doi:10.1039/a810044f

data_7213007
_publ_section_title
;
 Oligopyridine bis(nitronyl nitroxides): synthesis, structures,
 electrochemical, magnetic and electronic properties
;
_journal_issue                   7
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1435
_journal_paper_doi               10.1039/a810044f
_journal_volume                  9
_journal_year                    1999
_chemical_formula_moiety         'C19 H27 N5 O4'
_chemical_formula_sum            'C19 H27 N5 O4'
_chemical_formula_weight         389.46
_chemical_name_systematic        ' ?'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.74(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
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_cell_length_b                   11.794(3)
_cell_length_c                   13.513(4)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    173
_cell_measurement_theta_max      20.5
_cell_measurement_theta_min      19.5
_cell_volume                     984.7(5)
_computing_cell_refinement       CAD4_(Enraf-Nonius,_1994)
_computing_data_collection       'Philips/PW1100/16 software 1976'
_computing_data_reduction        'pwredu, local program'
_computing_publication_material  BTABLE_PTABLE_CIF_IN_MolEN_(Fair,_1990)
_computing_structure_refinement  LSFM_MolEN_(Fair,_1990)
_computing_structure_solution    Direct_methods_(SIR,_Burla_et_al.,_1989)
_diffrn_ambient_temperature      173
_diffrn_measurement_device_type  Philips_PW1100
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  graphite
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_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.773
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_exptl_absorpt_correction_T_min  0.7237
_exptl_absorpt_correction_type   refdelf_(Walker_&_Stuart,_1983)
_exptl_crystal_colour            violet
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_refine_ls_abs_structure_details ' ?'
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_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4Fo^2^/(\s^2^(Fo^2^)+0.0016 Fo^4^)+4.0'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.078
_refine_ls_wR_factor_ref         0.078
_reflns_number_gt                966
_reflns_number_total             1188
_reflns_threshold_expression     >3.0\s(I)
_cod_data_source_file            810044fsup1.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '4Fo^2^/(\s^2^(Fo^2^)+0.0016
Fo^4^)+4.0' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 4Fo^2^/(\s^2^(Fo^2^)+0.0016 Fo^4^)+4.0'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        984.7(9)
_cod_database_code               7213007