Ferromagnetic Nanoscale Electron Correlation Promoted by Organic Spin-Dependent Delocalization
Martin L. Kirk; David A. Shultz; Robert D. Schmidt; Diana Habel-Rodriguez; Hyoyoung Lee; Junghyun Lee; Journal of the American Chemical Society 131 (2009) 18304–18313; doi:10.1021/ja904648r

data_4105489
_publ_section_title
;
 Ferromagnetic Nanoscale Electron Correlation Promoted by Organic
 Spin-Dependent Delocalization
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              18304
_journal_page_last               18313
_journal_paper_doi               10.1021/ja904648r
_journal_volume                  131
_journal_year                    2009
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_cell_formula_units_Z            2
_cell_length_a                   12.674(3)
_cell_length_b                   13.515(3)
_cell_length_c                   16.916(4)
_cell_measurement_reflns_used    548
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_computing_cell_refinement       SAINT
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_computing_molecular_graphics    NRCVAX
_computing_publication_material  cif2tables.py
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_computing_structure_solution    SIR92
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_diffrn_measured_fraction_theta_full 0.878
_diffrn_measured_fraction_theta_max 0.878
_diffrn_measurement_device_type  'Bruker Apex2'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           CuK\a
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_diffrn_reflns_av_sigmaI/netI    0.4871
_diffrn_reflns_limit_h_max       12
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_diffrn_reflns_limit_l_min       -20
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_diffrn_reflns_theta_max         69.43
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_exptl_absorpt_correction_T_max  0.9123
_exptl_absorpt_correction_T_min  0.5473
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_description       prism
_exptl_crystal_F_000             1002
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
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_refine_diff_density_rms         0.073
_refine_ls_extinction_coef       0.0044(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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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^)+(0.0771P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1661
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_cod_data_source_file            ja904648r_si_001.cif
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