Schiff base tailed silatranes for the fabrication of functionalized silica based magnetic nano-cores possessing active sites for the adsorption of copper ions
Mutneja, Ruchi; Singh, Raghubir; Kaur, Varinder; Wagler, Jörg; Fels, Sabine; Kroke, Edwin; New J. Chem. 40 (2016) 1640–; doi:10.1039/C5NJ02287H

data_7055220
_publ_section_title
;
 Schiff base tailed silatranes for the fabrication of functionalized
 silica based magnetic nano-cores possessing active sites for the
 adsorption of copper ions
;
_journal_issue                   2
_journal_name_full               'New J. Chem.'
_journal_page_first              1640
_journal_paper_doi               10.1039/C5NJ02287H
_journal_volume                  40
_journal_year                    2016
_chemical_formula_moiety         'C23 H33 N O5 Si'
_chemical_formula_sum            'C23 H33 N O5 Si'
_chemical_formula_weight         431.59
_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   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-11-13 deposited with the CCDC.
2015-12-10 downloaded from the CCDC.
;
_cell_angle_alpha                87.035(6)
_cell_angle_beta                 83.056(5)
_cell_angle_gamma                73.204(5)
_cell_formula_units_Z            4
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_cell_length_b                   13.588(2)
_cell_length_c                   22.433(3)
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_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      24.69
_cell_measurement_theta_min      2.39
_cell_volume                     2305.5(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP32 (Farugia)'
_computing_publication_material  'Ciftab (Sheldrick)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      93(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'APEX2 CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1183
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_diffrn_reflns_Laue_measured_fraction_full 0.982
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_diffrn_reflns_limit_h_min       -9
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_diffrn_reflns_point_group_measured_fraction_full 0.982
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_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         0.915
_exptl_absorpt_coefficient_mu    0.135
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.243
_exptl_crystal_description       needle
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_refine_ls_R_factor_all          0.2606
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0637P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1412
_refine_ls_wR_factor_ref         0.2150
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2635
_reflns_number_total             7979
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5nj02287h1.cif
_cod_data_source_block           sf0101
_cod_depositor_comments
'Adding full bibliography for 7055220--7055222.cif.'
_cod_original_cell_volume        2305.4(6)
_cod_database_code               7055220
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.967
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_shelx_res_checksum              29392