Effect of Spin-Ladder Topology on 2D Charge Ordering: Toward New Spin-Antiferroelectric Transitions
Bangbo Yan; Marilyn M. Olmstead; Paul A. Maggard; Journal of the American Chemical Society 129 (2007) 12646–12647; doi:10.1021/ja0754709

data_4110069
_publ_section_title
;
 Effect of Spin-Ladder Topology on 2D Charge Ordering: Toward New
 Spin-Antiferroelectric Transitions
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12646
_journal_page_last               12647
_journal_paper_doi               10.1021/ja0754709
_journal_volume                  129
_journal_year                    2007
_chemical_formula_moiety         'C4 H4 N2 O10 V4 Zn'
_chemical_formula_sum            'C4 H4 N2 O10 V4 Zn'
_chemical_formula_weight         509.22
_chemical_name_systematic
; 
 ? 
;
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_cell_angle_gamma                90.00
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_cell_length_b                   6.9788(5)
_cell_length_c                   11.4743(8)
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_cell_measurement_temperature    10(2)
_cell_measurement_theta_max      33.2
_cell_measurement_theta_min      3.24
_cell_volume                     1156.15(14)
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_computing_publication_material  SHELXL-97
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      10(2)
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_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'Brucker SMART ApexII'
_diffrn_measurement_method       \w
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_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5618
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_diffrn_reflns_theta_min         3.24
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_exptl_absorpt_correction_T_max  0.9029
_exptl_absorpt_correction_T_min  0.2780
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2.10 (Sheldrick, 2003)'
_exptl_crystal_colour            black
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_exptl_crystal_description       plate
_exptl_crystal_F_000             976
_exptl_crystal_size_max          0.33
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_refine_diff_density_max         0.788
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.48(3)
_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0378
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0289P)^2^+3.3689P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0944
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0754709si20070722_101954.cif
_cod_data_source_block           ZnpyzV4O10
_cod_database_code               4110069