Intramolecular exchange interactions in non-aromatic bis-nitronyl-nitroxides
Christophe Stroh; Raymond Ziessel; Gabriele Raudaschl-Sieber; Frank H. Köhler; Philippe Turek; Journal of Materials Chemistry 15 (2005) 850–; doi:10.1039/b414284e

data_7203689
_publ_section_title
;
 Intramolecular exchange interactions in non-aromatic
 bis-nitronyl-nitroxides
;
_journal_issue                   8
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              850
_journal_paper_doi               10.1039/b414284e
_journal_volume                  15
_journal_year                    2005
_chemical_formula_moiety         C22H34N4O4
_chemical_formula_sum            'C22 H34 N4 O4'
_chemical_formula_weight         418.54
_chemical_name_systematic        ' ?'
_space_group_IT_number           14
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_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.244(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.0087(4)
_cell_length_b                   16.270(1)
_cell_length_c                   10.3874(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294
_cell_measurement_theta_max      20.5
_cell_measurement_theta_min      18.2
_cell_volume                     1169.11(11)
_computing_cell_refinement       CAD4_(Enraf-Nonius,_1994)
_computing_data_collection       CAD4_(Enraf-Nonius,_1994)
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_diffrn_measurement_method       \q/2\q
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_exptl_absorpt_coefficient_mu    0.077
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_exptl_absorpt_correction_T_min  0.9841
_exptl_absorpt_correction_type   psi_scans_(North,_Phillips,_Mathews,_1968)
_exptl_crystal_colour            'dark blue'
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
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_refine_ls_wR_factor_ref         0.076
_reflns_number_gt                1566
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_cod_data_source_file            b414284e.txt
_cod_data_source_block           ST035
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_adp_type' tag value 'Uij' was replaced with 'Uani' value
15 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        1169.1(2)
_cod_original_formula_sum        C22H34N4O4
_cod_database_code               7203689