Disorder-Order Transformation and Significant Dislocation Motion Cooperating with a Surprisingly Large Hysteretic Magnetic Transition in a Nickel-Bisdithiolene Spin System
Hai-Bao Duan; Xuan-Rong Chen; Hao Yang; Xiao-Ming Ren; Fang Xuan; Shi-Ming Zhou; Inorganic Chemistry 52 (2013) 3870–3877; doi:10.1021/ic302571p

data_4334312
_publ_section_title
;
 Disorder-Order Transformation and Significant Dislocation Motion
 Cooperating with a Surprisingly Large Hysteretic Magnetic Transition in a
 Nickel-Bisdithiolene Spin System
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3870
_journal_page_last               3877
_journal_paper_doi               10.1021/ic302571p
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C21 H11 F3 N5 Ni S4'
_chemical_formula_weight         577.30
_chemical_name_systematic
; 
 ? 
;
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_cell_length_a                   8.5682(8)
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_cell_measurement_temperature    131(2)
_cell_volume                     2352.0(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
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_diffrn_ambient_temperature      131(2)
_diffrn_measured_fraction_theta_full 0.700
_diffrn_measured_fraction_theta_max 0.700
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_h_max       10
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_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            11114
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         3.27
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         6132
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_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.1688
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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^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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