Synthesising a series of promising ultraviolet nonlinear optical materials with the aid of the flexibility of isolated [B<sub>5</sub>O<sub>10</sub>] groups.
Song, Yixin; Yu, Hongwei; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Dalton transactions (Cambridge, England : 2003) 54 (2025) 16356–16362; doi:10.1039/d5dt01944c

data_7719732
_publ_section_title
;
 Synthesising a series of promising ultraviolet nonlinear optical
 materials with the aid of the flexibility of isolated
 [B<sub>5</sub>O<sub>10</sub>] groups.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16356
_journal_page_last               16362
_journal_paper_doi               10.1039/d5dt01944c
_journal_volume                  54
_journal_year                    2025
_chemical_formula_sum            'B15 K6 Na1.82 O29.67 Y2.18'
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_space_group_name_Hall           'R 3 2"'
_space_group_name_H-M_alt        'R 3 2 :H'
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_audit_update_record
;
2025-07-23 deposited with the CCDC.	2025-10-07 downloaded from the CCDC.
;
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_diffrn_reflns_theta_full        25.242
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_diffrn_reflns_theta_min         2.240
_exptl_absorpt_coefficient_mu    5.142
_exptl_crystal_colour            white
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_exptl_crystal_description       lumpy
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.27(4)
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         978
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_refine_ls_R_factor_all          0.0887
_refine_ls_R_factor_gt           0.0580
_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^)+(0.0745P)^2^+30.5334P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1342
_refine_ls_wR_factor_ref         0.1596
_reflns_Friedel_coverage         0.762
_reflns_Friedel_fraction_full    0.997
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                766
_reflns_number_total             978
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt01944c2.cif
_cod_data_source_block           2_a
_cod_depositor_comments
'Adding full bibliography for 7719727--7719734.cif.'
_cod_original_cell_volume        2257.9(6)
_cod_database_code               7719732
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_shelx_res_checksum              79828
_shelx_hkl_checksum              37002