Thermodynamic properties of selenoether-functionalized ionic liquids and their use for the synthesis of zinc selenide nanoparticles.
Klauke, Karsten; Zaitsau, Dzmitry H.; Bülow, Mark; He, Li; Klopotowski, Maximilian; Knedel, Tim-Oliver; Barthel, Juri; Held, Christoph; Verevkin, Sergey P.; Janiak, Christoph; Dalton transactions (Cambridge, England : 2003) 47 (2018) 5083–5097; doi:10.1039/C8DT00233A

data_7045839
_publ_section_title
;
 Thermodynamic properties of selenoether-functionalized ionic liquids and
 their use for the synthesis of zinc selenide nanoparticles.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5083
_journal_page_last               5097
_journal_paper_doi               10.1039/C8DT00233A
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C24 H20 B, C14 H19 N2 Se'
_chemical_formula_sum            'C38 H39 B N2 Se'
_chemical_formula_weight         613.48
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2017-12-06 deposited with the CCDC.
2018-03-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.247(5)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.8147(10)
_cell_length_b                   38.702(4)
_cell_length_c                   17.1287(18)
_cell_measurement_reflns_used    9710
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      23.124
_cell_measurement_theta_min      2.3055
_cell_volume                     6479.0(12)
_computing_cell_refinement       'SAINT (Bruker, 2015)'
_computing_data_collection       'APEX2 (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2015)'
_computing_molecular_graphics    'DIAMOND 4.2.2 (Crystal Impact, 2016)'
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_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2015)'
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_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Kappa APEX-II CCD area detector'
_diffrn_measurement_method       '\w scans, \f scans'
_diffrn_radiation_monochromator  'multilayer mirror'
_diffrn_radiation_source         'microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0973
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_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       46
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_diffrn_reflns_limit_l_max       20
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_diffrn_reflns_number            86945
_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_max         25.400
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_exptl_absorpt_coefficient_mu    1.187
_exptl_absorpt_correction_T_max  1.0000
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_exptl_absorpt_process_details   '(<i>SADABS</i>; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.258
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cubic
_exptl_crystal_F_000             2560
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: methylene dichloride'
_exptl_crystal_size_max          0.200
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_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.350
_refine_diff_density_min         -0.716
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0912
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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^)+(0.0435P)^2^+3.1672P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1004
_refine_ls_wR_factor_ref         0.1128
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7896
_reflns_number_total             11922
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7045837--7045839.cif.'
_cod_database_code               7045839
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.797
_shelx_estimated_absorpt_t_max   0.890
_shelx_res_checksum              33312