Tuning the intermolecular dative interactions by altering the ligand planarity and counter cations in vanadyl(IV) complexes.
Kim, Kwan Mook; Lee, Dongwon; Seo, Mi Sook; Park, Hyunjung; Song, Rita; Jun, Moo-Jin; Nam, Wonwoo; Dalton transactions (Cambridge, England : 2003)  (2005) 1567–1569; doi:10.1039/b501350j

data_7008309
_publ_section_title
;
 Tuning the intermolecular dative interactions by altering the ligand
 planarity and counter cations in vanadyl(IV) complexes.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1567
_journal_page_last               1569
_journal_paper_doi               10.1039/b501350j
_journal_year                    2005
_chemical_formula_sum            'C28 H52 N2 O11 S4 V'
_chemical_formula_weight         771.90
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_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                85.200(16)
_cell_angle_beta                 88.630(15)
_cell_angle_gamma                72.880(18)
_cell_formula_units_Z            2
_cell_length_a                   10.134(2)
_cell_length_b                   13.179(3)
_cell_length_c                   14.581(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1854.6(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.422
_diffrn_measured_fraction_theta_max 0.422
_diffrn_measurement_device_type  CAD4
_diffrn_measurement_method       omega/2theta
_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  0.0470
_diffrn_reflns_av_sigmaI/netI    0.0459
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            3093
_diffrn_reflns_theta_full        25.65
_diffrn_reflns_theta_max         25.65
_diffrn_reflns_theta_min         1.40
_diffrn_standards_decay_%        <3%
_exptl_absorpt_coefficient_mu    0.548
_exptl_absorpt_correction_T_max  0.9223
_exptl_absorpt_correction_T_min  0.8314
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Psi scan'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.382
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             818
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.789
_refine_diff_density_min         -0.450
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.128
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         2957
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      1.138
_refine_ls_R_factor_all          0.1020
_refine_ls_R_factor_gt           0.0920
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1397P)^2^+5.8798P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2370
_refine_ls_wR_factor_ref         0.2475
_reflns_number_gt                2641
_reflns_number_total             2957
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b501350j.txt
_cod_data_source_block           v
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7008309