Highly Stable Hexacoordinated Nonoxidovanadium(IV) Complexes of Sterically Constrained Ligands: Syntheses, Structure, and Study of Antiproliferative and Insulin Mimetic Activity
Subhashree P. Dash; Sagarika Pasayat; Saswati Bhakat; Satabdi Roy; Rupam Dinda; Edward R. T. Tiekink; Subhadip Mukhopadhyay; Sujit K. Bhutia; Manasi R. Hardikar; Bimba N. Joshi; Yogesh P. Patil; M. Nethaji; Inorganic Chemistry 52 (2013) 14096–14107; doi:10.1021/ic401866x

data_4336994
_publ_contact_author_address
;
Department of Chemistry,
University of Malaya,
Kuala Lumpur 50603, Malaysia
;
_publ_contact_author_email
;
Edward.Tiekink@gmail.com
;
_publ_contact_author_fax         ' +60 3 7967 4193 '
_publ_contact_author_name        ' Edward RT Tiekink '
_publ_contact_author_phone       ' +60 3 7967 6775 '
_publ_section_title
;
 Highly Stable Hexacoordinated Nonoxidovanadium(IV) Complexes of
 Sterically Constrained Ligands: Syntheses, Structure, and Study of
 Antiproliferative and Insulin Mimetic Activity
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              14096
_journal_page_last               14107
_journal_paper_doi               10.1021/ic401866x
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C38 H28 N4 O4 V'
_chemical_formula_sum            'C38 H28 N4 O4 V'
_chemical_formula_weight         655.58
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.571(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.807(7)
_cell_length_b                   23.851(12)
_cell_length_c                   10.249(5)
_cell_measurement_reflns_used    1010
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      17.07
_cell_measurement_theta_min      2.24
_cell_volume                     3235(3)
_computing_cell_refinement       'SMART (Bruker, 1996)'
_computing_data_collection       'SMART (Bruker, 1996)'
_computing_data_reduction        'SAINT (Bruker, 1996)'
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 1997) and DIAMOND (Brandenburg, 2006)
;
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0.3
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1335
_diffrn_reflns_av_sigmaI/netI    0.1717
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            26859
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.54
_exptl_absorpt_coefficient_mu    0.354
_exptl_absorpt_correction_T_max  0.9825
_exptl_absorpt_correction_T_min  0.9136
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.346
_exptl_crystal_description       hexagonal
_exptl_crystal_F_000             1356
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.295
_refine_diff_density_min         -0.384
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.970
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     426
_refine_ls_number_reflns         7320
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.970
_refine_ls_R_factor_all          0.2240
_refine_ls_R_factor_gt           0.0743
_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^)+(0.0641P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1332
_refine_ls_wR_factor_ref         0.1964
_reflns_number_gt                2745
_reflns_number_total             7320
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ic401866x_si_004.cif
_cod_data_source_block           3
_cod_original_sg_symbol_Hall     '-P 2ybc '
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4336994