Efficient synthesis of Au<sub>36</sub>(SR)<sub>24</sub> nanoclusters <i>via</i> the cluster-from-cluster approach.
Lin, Yan-Yan; Nan, Zi-Ang; Lei, Zhen; Wang, Quan-Ming; Nanoscale 17 (2025) 8724–8730; doi:10.1039/d5nr00203f

data_1574029
_publ_section_title
;
 Efficient synthesis of Au<sub>36</sub>(SR)<sub>24</sub> nanoclusters
 <i>via</i> the cluster-from-cluster approach.
;
_journal_issue                   14
_journal_name_full               Nanoscale
_journal_page_first              8724
_journal_page_last               8730
_journal_paper_doi               10.1039/d5nr00203f
_journal_volume                  17
_journal_year                    2025
_chemical_formula_moiety         'C168 H165 Au36 S24'
_chemical_formula_sum            'C168 H168 Au36 S24'
_chemical_formula_weight         10047.25
_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   geom
_audit_creation_date             2021-05-14
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_audit_update_record
;
2025-01-15 deposited with the CCDC.	2025-02-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.89(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   64.631(16)
_cell_length_b                   22.2308(18)
_cell_length_c                   32.333(4)
_cell_measurement_reflns_used    5850
_cell_measurement_temperature    173.00(10)
_cell_measurement_theta_max      56.4570
_cell_measurement_theta_min      3.6920
_cell_volume                     44452(14)
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_diffrn_ambient_temperature      173.00(10)
_diffrn_detector_area_resol_mean 10.4273
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1085
_diffrn_reflns_av_unetI/netI     0.1515
_diffrn_reflns_Laue_measured_fraction_full 0.955
_diffrn_reflns_Laue_measured_fraction_max 0.955
_diffrn_reflns_limit_h_max       76
_diffrn_reflns_limit_h_min       -71
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            75699
_diffrn_reflns_point_group_measured_fraction_full 0.955
_diffrn_reflns_point_group_measured_fraction_max 0.955
_diffrn_reflns_theta_full        65.958
_diffrn_reflns_theta_max         65.958
_diffrn_reflns_theta_min         3.517
_exptl_absorpt_coefficient_mu    45.763
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.28926
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.7e (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    3.002
_exptl_crystal_description       block
_exptl_crystal_F_000             35232
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.915
_refine_diff_density_min         -2.545
_refine_diff_density_rms         0.337
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.940
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1998
_refine_ls_number_reflns         36976
_refine_ls_number_restraints     1651
_refine_ls_restrained_S_all      0.920
_refine_ls_R_factor_all          0.1636
_refine_ls_R_factor_gt           0.0819
_refine_ls_shift/su_max          0.085
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1194P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2032
_refine_ls_wR_factor_ref         0.2675
_reflns_Friedel_coverage         0.000
_reflns_number_gt                16761
_reflns_number_total             36976
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5nr00203f2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 1574029--1574035.cif.'
_cod_original_cell_volume        44453(14)
_cod_database_code               1574029
_shelx_shelxl_version_number     2018/3
_olex2_refinement_description
;
1. Others
 Fixed Sof: Au35(0.5) Au36(0.5) Au37(0.5) Au38(0.5) S11(0.5) S12(0.5)
 C114(0.5) C113(0.5) H113(0.5) C112(0.5) H112(0.5) C111(0.5) C116(0.5)
 H116(0.5) C115(0.5) H115(0.5) C117(0.5) C121(0.5) C126(0.5) H126(0.5)
 C125(0.5) H125(0.5) C124(0.5) C123(0.5) H123(0.5) C122(0.5) H122(0.5) C127(0.5)
 Fixed Uiso: H12(0.101) H13(0.101) H15(0.101) H16(0.101) H17A(0.127)
 H17B(0.127) H17C(0.127) H22(0.107) H23(0.107) H25(0.107) H26(0.107)
 H27A(0.134) H27B(0.134) H27C(0.134) H32(0.112) H33(0.112) H35(0.112)
 H36(0.112) H37A(0.141) H37B(0.141) H37C(0.141) H45(0.089) H46(0.088)
 H42(0.088) H43(0.089) H47A(0.113) H47B(0.113) H47C(0.113) H52(0.102)
 H53(0.102) H55(0.102) H56(0.102) H57A(0.128) H57B(0.128) H57C(0.128)
 H66(0.105) H65(0.105) H63(0.105) H62(0.105) H67A(0.133) H67B(0.133)
 H67C(0.133) H73(0.101) H75(0.101) H76(0.101) H72(0.101) H77A(0.129)
 H77B(0.129) H77C(0.129) H82(0.122) H83(0.122) H85(0.122) H86(0.122)
 H87A(0.153) H87B(0.153) H87C(0.153) H92(0.102) H93(0.102) H95(0.102)
 H96(0.102) H97A(0.128) H97B(0.128) H97C(0.128) H106(0.176) H105(0.177)
 H103(0.177) H102(0.176) H10A(0.222) H10B(0.222) H10C(0.222) H113(0.259)
 H112(0.259) H116(0.259) H115(0.259) H126(0.259) H125(0.259) H123(0.259)
 H122(0.259) H136(0.172) H132(0.172) H133(0.172) H135(0.172) H13A(0.216)
 H13B(0.216) H13C(0.216) H142(0.1) H143(0.1) H145(0.1) H146(0.1) H14A(0.126)
 H14B(0.126) H14C(0.126) H152(0.085) H153(0.085) H155(0.085) H156(0.084)
 H15A(0.107) H15B(0.107) H15C(0.107) H163(0.139) H165(0.139) H166(0.139)
 H162(0.139) H16A(0.175) H16B(0.175) H16C(0.175) H172(0.102) H173(0.102)
 H175(0.102) H176(0.102) H17D(0.129) H17E(0.129) H17F(0.129) H183(0.096)
 H182(0.095) H186(0.095) H185(0.095) H18A(0.121) H18B(0.121) H18C(0.121)
 H192(0.118) H193(0.118) H195(0.118) H196(0.118) H19A(0.149) H19B(0.149)
 H19C(0.149) H202(0.105) H206(0.105) H205(0.105) H203(0.105) H20A(0.133)
 H20B(0.133) H20C(0.133) H216(0.102) H215(0.102) H213(0.102) H212(0.102)
 H21A(0.13) H21B(0.13) H21C(0.13) H222(0.117) H223(0.118) H225(0.117)
 H226(0.117) H22A(0.148) H22B(0.148) H22C(0.148) H236(0.122) H235(0.122)
 H233(0.122) H232(0.122) H23A(0.154) H23B(0.154) H23C(0.154) H246(0.127)
 H242(0.127) H243(0.127) H245(0.127) H24A(0.16) H24B(0.16) H24C(0.16)
 H252(0.12) H253(0.12) H255(0.12) H256(0.12) H25A(0.15) H25B(0.15) H25C(0.15)
 Fixed X: H12(0.215263) H13(0.224162) H15(0.164654) H16(0.152988)
 H17A(0.203867) H17B(0.19159) H17C(0.216103) H22(0.247885) H23(0.280445)
 H25(0.301066) H26(0.270168) H27A(0.314415) H27B(0.326146) H27C(0.322608)
 H32(0.248181) H33(0.273739) H35(0.265394) H36(0.23666) H37A(0.284792)
 H37B(0.288566) H37C(0.302213) H45(0.120562) H46(0.128158) H42(0.065867)
 H43(0.05827) H47A(0.083272) H47B(0.075776) H47C(0.100436) H52(0.026119)
 H53(0.000928) H55(-0.011077) H56(0.014779) H57A(-0.020488) H57B(-0.03824)
 H57C(-0.032221) H66(0.049222) H65(0.02559) H63(-0.007605) H62(0.016026) H67A(-
 0.011403) H67B(-0.020396) H67C(0.000427) H73(0.171053) H75(0.145983)
 H76(0.169618) H72(0.194689) H77A(0.141435) H77B(0.127838) H77C(0.148481)
 H82(0.193306) H83(0.170062) H85(0.141508) H86(0.166762) H87A(0.12374)
 H87B(0.135493) H87C(0.142313) H92(0.154913) H93(0.131688) H95(0.136314)
 H96(0.160473) H97A(0.103579) H97B(0.112956) H97C(0.124265) H106(0.094026)
 H105(0.115608) H103(0.108178) H102(0.086595) H10A(0.119297) H10B(0.133554)
 H10C(0.139824) H113(0.063519) H112(0.049393) H116(0.099528) H115(0.113655)
 H126(0.114152) H125(0.137119) H123(0.114625) H122(0.091657) H136(0.123857)
 H132(0.128155) H133(0.151386) H135(0.147088) H13A(0.18085) H13B(0.171362)
 H13C(0.161675) H142(0.158609) H143(0.17742) H145(0.232767) H146(0.214104)
 H14A(0.210219) H14B(0.232164) H14C(0.223558) H152(0.118464) H153(0.088555)
 H155(0.06175) H156(0.087734) H15A(0.049373) H15B(0.040714) H15C(0.057162)
 H163(0.053498) H165(0.113959) H166(0.127574) H162(0.067113) H16A(0.068016)
 H16B(0.084683) H16C(0.061818) H172(0.043614) H173(0.018137) H175(0.001374)
 H176(0.030946) H17D(-0.007682) H17E(-0.021217) H17F(-0.020735) H183(0.120596)
 H182(0.141829) H186(0.091746) H185(0.070513) H18A(0.072391) H18B(0.067305)
 H18C(0.086979) H192(0.092529) H193(0.071389) H195(0.054525) H196(0.075665)
 H19A(0.033182) H19B(0.051927) H19C(0.05255) H202(0.038269) H206(0.050772)
 H205(0.029231) H203(0.016727) H20A(0.001766) H20B(-0.007287) H20C(0.012782)
 H216(0.22444) H215(0.251497) H213(0.283963) H212(0.256906) H21A(0.291018)
 H21B(0.303086) H21C(0.288475) H222(0.231347) H223(0.249518) H225(0.249182)
 H226(0.232394) H22A(0.251636) H22B(0.262854) H22C(0.274216) H236(0.149772)
 H235(0.174406) H233(0.211773) H232(0.187139) H23A(0.224476) H23B(0.218933)
 H23C(0.206815) H246(0.18556) H242(0.129722) H243(0.145031) H245(0.200869)
 H24A(0.195869) H24B(0.194728) H24C(0.176029) H252(0.189953) H253(0.215003)
 H255(0.235537) H256(0.207018) H25A(0.244158) H25B(0.259217) H25C(0.244667)
 Fixed Y: H12(0.178387) H13(0.098573) H15(0.080544) H16(0.164358)
 H17A(0.052998) H17B(0.00706) H17C(0.020823) H22(0.239051) H23(0.186177)
 H25(0.291874) H26(0.340857) H27A(0.158523) H27B(0.218188) H27C(0.203223)
 H32(0.278238) H33(0.220084) H35(0.331214) H36(0.378362) H37A(0.191722)
 H37B(0.248903) H37C(0.239394) H45(0.111257) H46(0.070763) H42(0.090416)
 H43(0.13091) H47A(0.197607) H47B(0.136602) H47C(0.152744) H52(0.000395)
 H53(0.062305) H55(0.125755) H56(0.072063) H57A(0.180363) H57B(0.147586)
 H57C(0.123478) H66(0.090046) H65(0.163163) H63(0.154328) H62(0.081211)
 H67A(0.200761) H67B(0.220689) H67C(0.251214) H73(-0.194679) H75(-0.213263)
 H76(-0.140571) H72(-0.121985) H77A(-0.258268) H77B(-0.260099) H77C(-0.300501)
 H82(-0.183411) H83(-0.258479) H85(-0.156085) H86(-0.082378) H87A(-0.257892)
 H87B(-0.274424) H87C(-0.305883) H92(0.025532) H93(0.023896) H95(0.202947)
 H96(0.199016) H97A(0.085817) H97B(0.147324) H97C(0.086887) H106(0.490334)
 H105(0.554716) H103(0.448167) H102(0.383784) H10A(0.585107) H10B(0.531093)
 H10C(0.566068) H113(0.62879) H112(0.53664) H116(0.512854) H115(0.605003)
 H126(0.506788) H125(0.589294) H123(0.639827) H122(0.557321) H136(0.265402)
 H132(0.430657) H133(0.459514) H135(0.29426) H13A(0.413071) H13B(0.363444)
 H13C(0.428603) H142(-0.060994) H143(-0.128159) H145(-0.045705) H146(0.013918)
 H14A(-0.169529) H14B(-0.152412) H14C(-0.11434) H152(-0.112405) H153(-0.162891)
 H155(-0.15054) H156(-0.097496) H15A(-0.184383) H15B(-0.19367) H15C(-0.239682)
 H163(0.302058) H165(0.34437) H166(0.293598) H162(0.251286) H16A(0.331017)
 H16B(0.383341) H16C(0.386849) H172(0.272629) H173(0.342027) H175(0.228881)
 H176(0.165097) H17D(0.365956) H17E(0.308016) H17F(0.334155) H183(-0.207149)
 H182(-0.121978) H186(-0.036337) H185(-0.121507) H18A(-0.229753) H18B(-0.22627)
 H18C(-0.264394) H192(0.031859) H193(-0.003394) H195(0.166291) H196(0.201546)
 H19A(0.061416) H19B(0.088062) H19C(0.020365) H202(0.329387) H206(0.259703)
 H205(0.332907) H203(0.402593) H20A(0.399235) H20B(0.424609) H20C(0.455051)
 H216(0.041621) H215(-0.000616) H213(0.155926) H212(0.198164) H21A(0.06161)
 H21B(0.055401) H21C(0.002776) H222(0.042967) H223(-0.011899) H225(0.138635)
 H226(0.188385) H22A(-0.013158) H22B(0.046597) H22C(0.004827) H236(0.385574)
 H235(0.427292) H233(0.478471) H232(0.436754) H23A(0.454449) H23B(0.519384)
 H23C(0.492686) H246(0.462827) H242(0.478403) H243(0.552446) H245(0.536872)
 H24A(0.576961) H24B(0.624769) H24C(0.620641) H252(0.415364) H253(0.466756)
 H255(0.308681) H256(0.257981) H25A(0.463867) H25B(0.407896) H25C(0.412541)
 Fixed Z: H12(0.494362) H13(0.458683) H15(0.384286) H16(0.42021)
 H17A(0.363076) H17B(0.384262) H17C(0.406425) H22(0.536416) H23(0.557235)
 H25(0.660304) H26(0.642491) H27A(0.626853) H27B(0.64649) H27C(0.597541)
 H32(0.699288) H33(0.74959) H35(0.840484) H36(0.79196) H37A(0.832402)
 H37B(0.862034) H37C(0.829627) H45(0.348168) H46(0.417093) H42(0.413592)
 H43(0.344666) H47A(0.29737) H47B(0.273372) H47C(0.289403) H52(0.415111)
 H53(0.371963) H55(0.475661) H56(0.519555) H57A(0.38542) H57B(0.401382)
 H57C(0.360791) H66(0.717737) H65(0.728059) H63(0.602122) H62(0.591798)
 H67A(0.704159) H67B(0.655726) H67C(0.685818) H73(0.507595) H75(0.60698)
 H76(0.645335) H72(0.54595) H77A(0.497264) H77B(0.530269) H77C(0.537769)
 H82(0.729073) H83(0.729633) H85(0.799959) H86(0.803078) H87A(0.744458)
 H87B(0.79271) H87C(0.755284) H92(0.821436) H93(0.867127) H95(0.878648)
 H96(0.835518) H97A(0.893096) H97B(0.914055) H97C(0.93312) H106(0.526478)
 H105(0.500476) H103(0.39678) H102(0.422782) H10A(0.414452) H10B(0.407629)
 H10C(0.451627) H113(0.541494) H112(0.553397) H116(0.65985) H115(0.647948)
 H126(0.704602) H125(0.718663) H123(0.594305) H122(0.580243) H136(0.805234)
 H132(0.758051) H133(0.824269) H135(0.871453) H13A(0.892749) H13B(0.916518)
 H13C(0.911474) H142(0.45496) H143(0.427038) H145(0.491131) H146(0.524691)
 H14A(0.421687) H14B(0.455651) H14C(0.41331) H152(0.503613) H153(0.461357)
 H155(0.555692) H156(0.59632) H15A(0.447672) H15B(0.487763) H15C(0.478334)
 H163(0.323158) H165(0.323259) H166(0.388188) H162(0.388088) H16A(0.250435)
 H16B(0.26646) H16C(0.273978) H172(0.460172) H173(0.475654) H175(0.552293)
 H176(0.557679) H17D(0.527644) H17E(0.529461) H17F(0.484719) H183(0.660248)
 H182(0.680935) H186(0.704783) H185(0.684097) H18A(0.626835) H18B(0.671321)
 H18C(0.667006) H192(0.780584) H193(0.822402) H195(0.840778) H196(0.79896)
 H19A(0.854134) H19B(0.89203) H19C(0.878866) H202(0.591364) H206(0.710775)
 H205(0.728557) H203(0.609145) H20A(0.709735) H20B(0.662686) H20C(0.695296)
 H216(0.629908) H215(0.685952) H213(0.702619) H212(0.646575) H21A(0.761778)
 H21B(0.726362) H21C(0.734017) H222(0.741538) H223(0.806155) H225(0.873781)
 H226(0.809294) H22A(0.889581) H22B(0.910321) H22C(0.884456) H236(0.451823)
 H235(0.420239) H233(0.537323) H232(0.568907) H23A(0.459904) H23B(0.472342)
 H23C(0.426879) H246(0.68611) H242(0.591047) H243(0.558713) H245(0.653775)
 H24A(0.569078) H24B(0.60399) H24C(0.56052) H252(0.790236) H253(0.845478)
 H255(0.902026) H256(0.849435) H25A(0.90684) H25B(0.909244) H25C(0.940369)
;
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_shelx_res_checksum              30560
_shelx_hkl_checksum              56733
_shelx_fab_checksum              72740
_olex2_submission_special_instructions 'No special instructions were received'