Li<sub>2</sub>(Se<sub>2</sub>O<sub>5</sub>)(H<sub>2</sub>O)<sub>1.5</sub>·CuCl<sub>2</sub>, a salt-inclusion diselenite structurally based on tetranuclear Li<sub>4</sub> complexes.
Markovski, Mishel R.; Siidra, Oleg I.; Charkin, Dmitri O.; Vladimirova, Victoria A.; Tsirlin, Alexander A.; Grishaev, Vasili Yu; Dalton transactions (Cambridge, England : 2003) 49 (2020) 7790–7795; doi:10.1039/d0dt01260b

data_7704362
_publ_section_title
;
 Li<sub>2</sub>(Se<sub>2</sub>O<sub>5</sub>)(H<sub>2</sub>O)<sub>1.5</sub>&#x00B7;CuCl<sub>2</sub>,
 a salt-inclusion diselenite structurally based on tetranuclear
 Li<sub>4</sub> complexes.
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7790
_journal_page_last               7795
_journal_paper_doi               10.1039/d0dt01260b
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'Cl0.67 Cu0.33 H Li0.67 O2.17 Se0.67'
_chemical_formula_weight         137.75
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-04-05 deposited with the CCDC.	2020-05-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.93(3)
_cell_angle_gamma                90
_cell_formula_units_Z            24
_cell_length_a                   13.075(14)
_cell_length_b                   7.672(8)
_cell_length_c                   17.79(2)
_cell_measurement_reflns_used    891
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.045
_cell_measurement_theta_min      2.317
_cell_volume                     1763(3)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX 2 Duo'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1138
_diffrn_reflns_av_unetI/netI     0.0633
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            9531
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.046
_diffrn_reflns_theta_max         24.045
_diffrn_reflns_theta_min         2.317
_exptl_absorpt_coefficient_mu    11.332
_exptl_crystal_density_diffrn    3.114
_exptl_crystal_description       prism
_exptl_crystal_F_000             1536
_refine_diff_density_max         0.695
_refine_diff_density_min         -0.705
_refine_diff_density_rms         0.173
_refine_ls_extinction_coef       0.00039(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     139
_refine_ls_number_reflns         1396
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0527
_refine_ls_R_factor_gt           0.0329
_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^)+(0.0183P)^2^+5.9458P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0655
_refine_ls_wR_factor_ref         0.0733
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1096
_reflns_number_total             1396
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt01260b1.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7704362.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'Cl0.67 H Cu0.33 Li0.67 O2.17 Se0.67'
_cod_database_code               7704362
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              58606