Another step toward DNA selective targeting: Ni(II) and Cu(II) complexes of a Schiff base ligand able to bind gene promoter G-quadruplexes.
Terenzi, Alessio; Lötsch, Daniela; van Schoonhoven, Sushilla; Roller, Alexander; Kowol, Christian R.; Berger, Walter; Keppler, Bernhard K.; Barone, Giampaolo; Dalton transactions (Cambridge, England : 2003) 45 (2016) 7758–7767; doi:10.1039/c6dt00648e

data_7038966
_publ_section_title
;
 Another step toward DNA selective targeting: Ni(II) and Cu(II) complexes
 of a Schiff base ligand able to bind gene promoter G-quadruplexes.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7758
_journal_page_last               7767
_journal_paper_doi               10.1039/c6dt00648e
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         '2(Cl O4), C30 H48 N4 O2'
_chemical_formula_sum            'C30 H48 Cl2 N4 O10'
_chemical_formula_weight         695.62
_chemical_name_systematic
;
[N,N'-bis(5-triethylammoniummethylsalicylidene)-1,2-ethylenediamine](ClO4)2 
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2016-03-14
_audit_creation_method
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_audit_update_record
;
2016-03-23 deposited with the CCDC.
2016-04-01 downloaded from the CCDC.
;
_cell_angle_alpha                75.82(2)
_cell_angle_beta                 81.71(2)
_cell_angle_gamma                80.21(4)
_cell_formula_units_Z            1
_cell_length_a                   7.779(6)
_cell_length_b                   8.339(6)
_cell_length_c                   14.025(12)
_cell_measurement_reflns_used    258
_cell_measurement_temperature    130.0
_cell_measurement_theta_max      22.193
_cell_measurement_theta_min      2.549
_cell_volume                     864.2(12)
_computing_cell_refinement       'APEX2 v2013.6-2'
_computing_data_collection       'APEX2 v2013.6-2'
_computing_data_reduction        'APEX2 v2013.6-2'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_temperature      130.0
_diffrn_measured_fraction_theta_full 0.721
_diffrn_measured_fraction_theta_max 0.718
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.1570
_diffrn_reflns_Laue_measured_fraction_full 0.721
_diffrn_reflns_Laue_measured_fraction_max 0.718
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1942
_diffrn_reflns_point_group_measured_fraction_full 0.721
_diffrn_reflns_point_group_measured_fraction_max 0.718
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.350
_diffrn_reflns_theta_min         2.544
_diffrn_source                   'INCOATEC microfocus sealed tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.247
_exptl_absorpt_correction_T_max  0.745987
_exptl_absorpt_correction_T_min  0.530345
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.
 
For component 1:
 wR2(int) was 0.0843 before and 0.0242 after correction.
 The Ratio of minimum to maximum transmission not present.
 The \l/2 correction factor is Not present
 
For component 2:
 wR2(int) was 0.0708 before and 0.0192 after correction.
 The Ratio of minimum to maximum transmission is 0.71.
 The \l/2 correction factor is Not present

HKLF 5 dataset constructed from all observations involving domain 1
    4830 Corrected reflections written to file Trn_L1_T5.hkl
 Reflections merged according to point-group -1    
 Single reflections that also occur in composites omitted
 Minimum and maximum apparent transmission:  0.530345  0.745987
 Additional spherical absorption correction applied with mu*r =  0.2000
;
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.337
_exptl_crystal_description       plate
_exptl_crystal_F_000             370
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.209
_refine_diff_density_min         -0.430
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     200
_refine_ls_number_reflns         1942
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      0.956
_refine_ls_R_factor_all          0.1333
_refine_ls_R_factor_gt           0.0928
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1269P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2098
_refine_ls_wR_factor_ref         0.2268
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1099
_reflns_number_total             1942
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt00648e2.cif
_cod_data_source_block           tr
_cod_depositor_comments
'Adding full bibliography for 7038964--7038966.cif.'
_cod_database_code               7038966
_shelxl_version_number           2013-3
_shelx_estimated_absorpt_t_max   0.998
_shelx_estimated_absorpt_t_min   0.952
_shelx_res_checksum              81745