Turn Helical Motifs from Pair to Single Entangled Double Helixes in a Cobalt-Vanadate System via Introduction of a V-Shaped Ligand.
Li, Shaobin; Sun, Wenlong; Wang, Kun; Ma, Huiyuan; Pang, Haijun; Liu, Heng; Zhang, Jianxin; Inorganic chemistry 53 (2014) 4541–4547; doi:10.1021/ic500224m

data_4338127
_publ_section_title
;
 Turn Helical Motifs from Pair to Single Entangled Double Helixes in a
 Cobalt-Vanadate System via Introduction of a V-Shaped Ligand.
;
_journal_issue                   9
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4541
_journal_page_last               4547
_journal_paper_doi               10.1021/ic500224m
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C12 H10 Co N4 O6 V2'
_chemical_formula_sum            'C12 H10 Co N4 O6 V2'
_chemical_formula_weight         467.05
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                104.092(5)
_cell_angle_beta                 97.985(5)
_cell_angle_gamma                102.840(5)
_cell_formula_units_Z            2
_cell_length_a                   7.981(5)
_cell_length_b                   8.672(5)
_cell_length_c                   11.828(5)
_cell_measurement_temperature    293(2)
_cell_volume                     757.8(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0175
_diffrn_reflns_av_sigmaI/netI    0.0322
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6116
_diffrn_reflns_theta_full        28.38
_diffrn_reflns_theta_max         28.38
_diffrn_reflns_theta_min         2.51
_exptl_absorpt_coefficient_mu    2.330
_exptl_absorpt_correction_T_max  0.628
_exptl_absorpt_correction_T_min  0.577
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_density_diffrn    2.047
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             462
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.555
_refine_diff_density_min         -0.467
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         3664
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0437
_refine_ls_R_factor_gt           0.0333
_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^)+(0.0324P)^2^+0.9262P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0736
_refine_ls_wR_factor_ref         0.0791
_reflns_number_gt                3103
_reflns_number_total             3805
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic500224m_si_003.cif
_cod_data_source_block           compound2
_cod_depositor_comments
'Adding full bibliography for 4338126--4338127.cif.'
_cod_original_sg_symbol_H-M      'p -1'
_cod_original_formula_sum        'C12 H10 Co N4 O6 V2 '
_cod_database_code               4338127