A turn-on AIE sensor for nanomolar detection of perrhenate in aqueous media
Li, Yan-ni; Du, Yan-xin; Liu, Hao; Zhu, Yi-jie; Deng, Fan; Xu, Qin-feng; RSC Advances 16 (2026) 16759–16766; doi:10.1039/D6RA01192F

data_7251827
_publ_section_title
;
 A turn-on AIE sensor for nanomolar detection of perrhenate in aqueous
 media
;
_journal_issue                   19
_journal_name_full               'RSC Advances'
_journal_page_first              16759
_journal_page_last               16766
_journal_paper_doi               10.1039/D6RA01192F
_journal_volume                  16
_journal_year                    2026
_chemical_formula_moiety         '3(C68 H46 N8 Ru), 6(O4 Re)'
_chemical_formula_sum            'C204 H138 N24 O24 Re6 Ru3'
_chemical_formula_weight         4729.79
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2024-03-13
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_audit_update_record
;
2025-11-07 deposited with the CCDC.	2026-03-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.554(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   31.456(17)
_cell_length_b                   24.499(13)
_cell_length_c                   29.263(16)
_cell_measurement_reflns_used    9437
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      21.44
_cell_measurement_theta_min      2.25
_cell_volume                     21617(2)
_computing_cell_refinement       'SAINT V8.40B (Bruker, 2019)'
_computing_data_collection       'APEX5 V2023.9-2 (Bruker, 2023)'
_computing_data_reduction        'SAINT V8.40B (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      193.00
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON II'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE TXS PHOTON II'
_diffrn_measurement_method       '\w and \f shutterless scans'
_diffrn_measurement_specimen_support 'nylon loop'
_diffrn_radiation_monochromator  'Helios Multi-layer Optic'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1040
_diffrn_reflns_av_unetI/netI     0.1129
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            216903
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.712
_diffrn_reflns_theta_max         24.712
_diffrn_reflns_theta_min         1.953
_diffrn_source                   TXS
_diffrn_source_current           1.6
_diffrn_source_power             0.08
_diffrn_source_type              'Rotaing Anode'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.612
_exptl_absorpt_correction_T_max  0.4908
_exptl_absorpt_correction_T_min  0.2777
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1544 before and 0.1104 after correction.
The Ratio of minimum to maximum transmission is 0.5658.
The \l/2 correction factor is Not present.
;
_exptl_crystal_density_diffrn    1.453
_exptl_crystal_description       block
_exptl_crystal_F_000             9216
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.762
_refine_diff_density_min         -1.706
_refine_diff_density_rms         0.189
_refine_ls_extinction_coef       0.00083(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.230
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2418
_refine_ls_number_reflns         36814
_refine_ls_number_restraints     4513
_refine_ls_restrained_S_all      1.205
_refine_ls_R_factor_all          0.1774
_refine_ls_R_factor_gt           0.1494
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0100P)^2^+400.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3459
_refine_ls_wR_factor_ref         0.3604
_reflns_Friedel_coverage         0.000
_reflns_number_gt                25080
_reflns_number_total             36814
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d6ra01192f2.cif
_cod_data_source_block           mo_240306zh_zhcz017823_2_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 
;
_cod_original_cell_volume        21616(20)
_cod_database_code               7251827
_shelx_shelxl_version_number     2019/3
_shelx_estimated_absorpt_t_max   0.737
_shelx_estimated_absorpt_t_min   0.671
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Re1_1-O4_1 = Re1_1-O3_1 = Re1_1-O2_1 = Re1_1-O1_1
 Re1_2-O4_2 = Re1_2-O3_2 = Re1_2-O2_2 = Re1_2-O1_2
 Re1_3-O4_3 = Re1_3-O3_3 = Re1_3-O2_3 = Re1_3-O1_3
 Re1_6-O4_6 = Re1_6-O3_6 = Re1_6-O2_6 = Re1_6-O1_6
 Re1_7-O4_7 = Re1_7-O3_7 = Re1_7-O2_7 = Re1_7-O1_7
 Re1_8-O4_8 = Re1_8-O3_8 = Re1_8-O2_8 = Re1_8-O1_8
 Re1_9-O4_9 = Re1_9-O3_9 = Re1_9-O2_9 = Re1_9-O1_9
 Re1_10-O4_10 = Re1_10-O3_10 = Re1_10-O2_10 = Re1_10-O1_10
 Re1_11-O4_11 = Re1_11-O3_11 = Re1_11-O2_11 = Re1_11-O1_11
 Re1_12-O4_12 = Re1_12-O3_12 = Re1_12-O2_12 = Re1_12-O1_12
 Re1_13-O4_13 = Re1_13-O3_13 = Re1_13-O2_13 = Re1_13-O1_13
 1.7 with sigma of 0.01
 C111-C110
 1.5 with sigma of 0.01
 C164-C163
 1.5 with sigma of 0.01
 C4-C3
 1.5 with sigma of 0.01
 C179-C178
 1.5 with sigma of 0.01
 O4_1-O1_1 \\sim O4_1-O2_1 \\sim O4_1-O3_1 \\sim O3_1-O2_1 \\sim O2_1-O1_1
\\sim O3_1-O1_1
 O4_2-O1_2 \\sim O4_2-O2_2 \\sim O4_2-O3_2 \\sim O3_2-O2_2 \\sim O2_2-O1_2
\\sim O3_2-O1_2
 O4_3-O1_3 \\sim O4_3-O2_3 \\sim O4_3-O3_3 \\sim O3_3-O2_3 \\sim O2_3-O1_3
\\sim O3_3-O1_3
 O4_6-O1_6 \\sim O4_6-O2_6 \\sim O4_6-O3_6 \\sim O3_6-O2_6 \\sim O2_6-O1_6
\\sim O3_6-O1_6
 O4_7-O1_7 \\sim O4_7-O2_7 \\sim O4_7-O3_7 \\sim O3_7-O2_7 \\sim O2_7-O1_7
\\sim O3_7-O1_7
 O4_8-O1_8 \\sim O4_8-O2_8 \\sim O4_8-O3_8 \\sim O3_8-O2_8 \\sim O2_8-O1_8
\\sim O3_8-O1_8
 O4_9-O1_9 \\sim O4_9-O2_9 \\sim O4_9-O3_9 \\sim O3_9-O2_9 \\sim O2_9-O1_9
\\sim O3_9-O1_9
 O4_10-O1_10 \\sim O4_10-O2_10 \\sim O4_10-O3_10 \\sim O3_10-O2_10 \\sim
O2_10-O1_10 \\sim O3_10-
 O1_10
 O4_11-O1_11 \\sim O4_11-O2_11 \\sim O4_11-O3_11 \\sim O3_11-O2_11 \\sim
O2_11-O1_11 \\sim O3_11-
 O1_11
 O4_12-O1_12 \\sim O4_12-O2_12 \\sim O4_12-O3_12 \\sim O3_12-O2_12 \\sim
O2_12-O1_12 \\sim O3_12-
 O1_12
 O4_13-O1_13 \\sim O4_13-O2_13 \\sim O4_13-O3_13 \\sim O3_13-O2_13 \\sim
O2_13-O1_13 \\sim O3_13-
 O1_13
 with sigma of 0.02
 C116-C110 \\sim C112-C110
 with sigma of 0.02
 C164-C162 \\sim C170-C164
 with sigma of 0.02
 C169-C163 \\sim C165-C163
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C15 \\sim C10 \\sim C3 \\sim C2 \\sim C1 \\sim C37 \\sim C120 \\sim C57 \\sim
C38 \\sim C124 \\sim C118 \\sim C53 \\sim C146 \\sim C148 \\sim C125 \\sim C155
\\sim C160 \\sim C159 \\sim C158 \\sim C157 \\sim C156 \\sim C151 \\sim C54
\\sim C193 \\sim C121 \\sim C56 \\sim C55 \\sim C40 \\sim C129 \\sim C34 \\sim
C134 \\sim C154 \\sim C35 \\sim C14 \\sim C11 \\sim C61 \\sim C86 \\sim C122
\\sim C43 \\sim C133 \\sim C39 \\sim C126 \\sim C153 \\sim C191 \\sim C59 \\sim
C190 \\sim C130 \\sim C119 \\sim C41 \\sim C198 \\sim C5 \\sim C6 \\sim C7
\\sim C8 \\sim C9 \\sim C4 \\sim C93 \\sim C123 \\sim C192 \\sim C152 \\sim
C147 \\sim C13 \\sim C81 \\sim C189 \\sim C52 \\sim C79 \\sim C107 \\sim C188
\\sim C42 \\sim C83 \\sim C202 \\sim C65 \\sim C18 \\sim C94 \\sim C25 \\sim
C95 \\sim C150 \\sim C51 \\sim C161 \\sim C162 \\sim C163 \\sim C170 \\sim C175
\\sim C72 \\sim C73 \\sim C74 \\sim C75 \\sim C76 \\sim C77 \\sim C48 \\sim
C185 \\sim C36 \\sim C136 \\sim C44 \\sim C62 \\sim C135 \\sim C12 \\sim C19
\\sim C24 \\sim C23 \\sim C22 \\sim C21 \\sim C20 \\sim C58 \\sim C49 \\sim
C102 \\sim C131 \\sim C60 \\sim C127 \\sim C187 \\sim C82 \\sim C78 \\sim C66
\\sim C70 \\sim C197 \\sim C186 \\sim C16 \\sim C132 \\sim C203 \\sim C199
\\sim C103 \\sim C47 \\sim C26 \\sim C128 \\sim C149 \\sim C17 \\sim C67 \\sim
C50 \\sim C200 \\sim C71 \\sim C108 \\sim C69 \\sim C106 \\sim C139 \\sim C80
\\sim C194 \\sim C63 \\sim C117 \\sim C174 \\sim C173 \\sim C178 \\sim C177
\\sim C176 \\sim C96 \\sim C101 \\sim C100 \\sim C99 \\sim C98 \\sim C97 \\sim
C196 \\sim C45 \\sim C68 \\sim C84 \\sim C85 \\sim C142 \\sim C141 \\sim C140
\\sim C145 \\sim C144 \\sim C143 \\sim C27 \\sim C172 \\sim C195 \\sim C104
\\sim C89 \\sim C90 \\sim C91 \\sim C92 \\sim C87 \\sim C88 \\sim C33 \\sim C32
\\sim C31 \\sim C30 \\sim C29 \\sim C28 \\sim C109 \\sim C180 \\sim C179 \\sim
C184 \\sim C183 \\sim C182 \\sim C181 \\sim C204 \\sim C201 \\sim C46 \\sim
C164 \\sim C169 \\sim C168 \\sim C167 \\sim C166 \\sim C165 \\sim C105 \\sim
C110 \\sim C137 \\sim C64 \\sim C138 \\sim C111 \\sim C116 \\sim C115 \\sim
C114 \\sim C113 \\sim C112 \\sim C171 \\sim N24 \\sim N21 \\sim N6 \\sim N1
\\sim N15 \\sim N4 \\sim N3 \\sim N7 \\sim N22 \\sim N10 \\sim N2 \\sim N11
\\sim N20 \\sim N5 \\sim N8 \\sim N16 \\sim N17 \\sim N23 \\sim N18 \\sim N12
\\sim N19 \\sim N9 \\sim N13 \\sim N14: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
Re1_1 \\sim O2_1 \\sim O1_1 \\sim O3_1 \\sim O4_1 \\sim Re1_2 \\sim O2_2 \\sim
O1_2 \\sim O3_2 \\sim O4_2 \\sim Re1_3 \\sim O2_3 \\sim O1_3 \\sim O3_3 \\sim
O4_3 \\sim Re1_6 \\sim O2_6 \\sim O1_6 \\sim O3_6 \\sim O4_6 \\sim Re1_7 \\sim
O2_7 \\sim O1_7 \\sim O3_7 \\sim O4_7 \\sim Re1_8 \\sim O2_8 \\sim O1_8 \\sim
O3_8 \\sim O4_8 \\sim Re1_9 \\sim O2_9 \\sim O1_9 \\sim O3_9 \\sim O4_9 \\sim
Re1_10 \\sim O2_10 \\sim O1_10 \\sim O3_10 \\sim O4_10 \\sim Re1_11 \\sim O2_11
\\sim O1_11 \\sim O3_11 \\sim O4_11 \\sim Re1_12 \\sim O2_12 \\sim O1_12 \\sim
O3_12 \\sim O4_12 \\sim Re1_13 \\sim O2_13 \\sim O1_13 \\sim O3_13 \\sim O4_13:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
Re1_13 \\sim O4_13 \\sim O1_13 \\sim O3_13 \\sim O2_13 \\sim Re1_6 \\sim O3_6
\\sim O2_6 \\sim O1_6 \\sim O4_6: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 2A
Re1_1 \\sim O2_1 \\sim O1_1 \\sim O3_1 \\sim O4_1 \\sim O1_12 \\sim Re1_12
\\sim O3_12 \\sim O4_12 \\sim O2_12: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 2A
Uanis(Re1_1) \\sim Ueq, Uanis(O2_1) \\sim Ueq, Uanis(O1_1) \\sim Ueq,
Uanis(O3_1) \\sim Ueq, Uanis(O4_1) \\sim Ueq, Uanis(Re1_2) \\sim Ueq,
Uanis(O2_2) \\sim Ueq, Uanis(O1_2) \\sim Ueq, Uanis(O3_2) \\sim Ueq,
Uanis(O4_2) \\sim Ueq, Uanis(Re1_3) \\sim Ueq, Uanis(O2_3) \\sim Ueq,
Uanis(O1_3) \\sim Ueq, Uanis(O3_3) \\sim Ueq, Uanis(O4_3) \\sim Ueq,
Uanis(Re1_6) \\sim Ueq, Uanis(O2_6) \\sim Ueq, Uanis(O1_6) \\sim Ueq,
Uanis(O3_6) \\sim Ueq, Uanis(O4_6) \\sim Ueq, Uanis(Re1_7) \\sim Ueq,
Uanis(O2_7) \\sim Ueq, Uanis(O1_7) \\sim Ueq, Uanis(O3_7) \\sim Ueq,
Uanis(O4_7) \\sim Ueq, Uanis(Re1_8) \\sim Ueq, Uanis(O2_8) \\sim Ueq,
Uanis(O1_8) \\sim Ueq, Uanis(O3_8) \\sim Ueq, Uanis(O4_8) \\sim Ueq,
Uanis(Re1_9) \\sim Ueq, Uanis(O2_9) \\sim Ueq, Uanis(O1_9) \\sim Ueq,
Uanis(O3_9) \\sim Ueq, Uanis(O4_9) \\sim Ueq, Uanis(Re1_10) \\sim Ueq,
Uanis(O2_10) \\sim Ueq, Uanis(O1_10) \\sim Ueq, Uanis(O3_10) \\sim Ueq,
Uanis(O4_10) \\sim Ueq, Uanis(Re1_11) \\sim Ueq, Uanis(O2_11) \\sim Ueq,
Uanis(O1_11) \\sim Ueq, Uanis(O3_11) \\sim Ueq, Uanis(O4_11) \\sim Ueq,
Uanis(Re1_12) \\sim Ueq, Uanis(O2_12) \\sim Ueq, Uanis(O1_12) \\sim Ueq,
Uanis(O3_12) \\sim Ueq, Uanis(O4_12) \\sim Ueq, Uanis(Re1_13) \\sim Ueq,
Uanis(O2_13) \\sim Ueq, Uanis(O1_13) \\sim Ueq, Uanis(O3_13) \\sim Ueq,
Uanis(O4_13) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 1*[Sof(O1)+Sof(Re1)+Sof(O4)+Sof(O2)+Sof(O3)]+1*[Sof(Re1)+Sof(O1)+Sof(O4)+
 Sof(O2)+Sof(O3)]+1*[Sof(O2)+Sof(Re1)+Sof(O4)+Sof(O3)+Sof(O1)]=1 with esd of 0
 Sof(Re1)=Sof(O2)=Sof(O4)=Sof(O3)=Sof(O1)=1-FVAR(1)
 Sof(Re1)=Sof(O3)=Sof(O2)=Sof(O4)=Sof(O1)=FVAR(1)
 Sof(O1)=Sof(Re1)=Sof(O4)=Sof(O2)=Sof(O3)=FVAR(2)
 Sof(Re1)=Sof(O1)=Sof(O4)=Sof(O2)=Sof(O3)=FVAR(3)
 Sof(O2)=Sof(Re1)=Sof(O4)=Sof(O3)=Sof(O1)=FVAR(4)
 Sof(Re1)=Sof(O3)=Sof(O1)=Sof(O4)=Sof(O2)=1-FVAR(5)
 Sof(Re1)=Sof(O2)=Sof(O1)=Sof(O3)=Sof(O4)=FVAR(5)
 Sof(Re1)=Sof(O4)=Sof(O1)=Sof(O3)=Sof(O2)=1-FVAR(6)
 Sof(Re1)=Sof(O3)=Sof(O2)=Sof(O1)=Sof(O4)=FVAR(6)
 Fixed X: O1(0.539569)
5.a Riding coordinates:
 C135(H13D,H13E,H13F)
5.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C1(H1), C118(H118), C148(H148), C160(H160), C159(H159), C158(H158),
 C157(H157), C156(H156), C40(H40), C134(H134), C35(H35), C11(H11), C126(H126),
 C153(H153), C59(H59), C119(H119), C41(H41), C5(H5), C6(H6), C7(H7), C8(H8),
 C9(H9), C93(H93), C152(H152), C147(H147), C79(H79), C94(H94), C25(H25),
 C51(H51), C161(H161), C162(H162), C73(H73), C74(H74), C75(H75), C76(H76),
 C77(H77), C48(H48), C185(H185), C36(H36), C44(H44), C62(H62), C12(H12),
 C24(H24), C23(H23), C22(H22), C21(H21), C20(H20), C58(H58), C49(H49),
 C131(H131), C60(H60), C127(H127), C187(H187), C66(H66), C70(H70), C186(H186),
 C16(H16), C203(H203), C199(H199), C103(H103), C47(H47), C26(H26), C128(H128),
 C17(H17), C50(H50), C108(H108), C69(H69), C80(H80), C194(H194), C117(H117),
 C177(H177), C176(H176), C101(H101), C100(H100), C99(H99), C98(H98), C97(H97),
 C196(H196), C45(H45), C84(H84), C85(H85), C142(H142), C141(H141), C145(H145),
 C144(H144), C143(H143), C172(H172), C195(H195), C104(H104), C89(H89), C90(H90),
  C91(H91), C92(H92), C88(H88), C33(H33), C32(H32), C31(H31), C30(H30),
 C29(H29), C109(H109), C180(H180), C184(H184), C183(H183), C182(H182),
 C181(H181), C46(H46), C169(H169), C168(H168), C167(H167), C166(H166),
 C165(H165), C137(H137), C138(H138), C116(H116), C115(H115), C114(H114),
 C113(H113), C112(H112), C171(H171)
5.c Fitted hexagon refined as free rotating group:
 N1(C15,C10,C3,C2,C1), C155(C160,C159,C158,C157,C156), C5(C6,C7,C8,C9,C4),
 N13(C161,C162,C163,C170,C175), C72(C73,C74,C75,C76,C77), C19(C24,C23,C22,C21,
 C20), N14(C174,C173,C178,C177,C176), C96(C101,C100,C99,C98,C97), C142(C141,
 C140,C145,C144,C143), C89(C90,C91,C92,C87,C88), C33(C32,C31,C30,C29,C28),
 C180(C179,C184,C183,C182,C181), C164(C169,C168,C167,C166,C165), C111(C116,C115,
 C114,C113,C112)
5.d Idealised Me refined as rotating group:
 C136(H13A,H13B,H13C), C68(H68A,H68B,H68C), C204(H20A,H20B,H20C), C201(H20D,
 H20E,H20F), C64(H64A,H64B,H64C)
;
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_shelx_res_checksum              42229
_shelx_fab_checksum              1061
_olex2_submission_special_instructions 'No special instructions were received'
_site                            XU