Dual metal centers within a water-stable Co/Ni bimetallic metal-triazolate framework contribute to durable photocatalysis for water treatment.
Zheng, Minling; Liu, Yubo; Zhang, Qifu; Li, Wenjing; Zhang, Yong; Feng, Guangxue; Hu, Yating; Huang, Shaoming; Nanoscale 16 (2024) 20082–20088; doi:10.1039/d4nr03940h

data_1572856
_publ_section_title
;
 Dual metal centers within a water-stable Co/Ni bimetallic
 metal-triazolate framework contribute to durable photocatalysis for water
 treatment.
;
_journal_issue                   43
_journal_name_full               Nanoscale
_journal_page_first              20082
_journal_page_last               20088
_journal_paper_doi               10.1039/d4nr03940h
_journal_volume                  16
_journal_year                    2024
_chemical_formula_sum            'C24 H24 N36 Ni3'
_chemical_formula_weight         992.81
_chemical_name_common            Ni-MET
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_symmetry_cell_setting           cubic
_audit_update_record
;
2024-08-24 deposited with the CCDC.	2024-10-10 downloaded from the CCDC.
;
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            8
_cell_length_a                   17.165300
_cell_length_b                   17.165300
_cell_length_c                   17.165300
_cell_measurement_temperature    300
_cell_volume                     5057.713
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type  'SmartLabTM 9kW'
_diffrn_radiation_polarisn_ratio 0.7000
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.02000
_pd_meas_2theta_range_max        79.98000
_pd_meas_2theta_range_min        5.00000
_pd_proc_2theta_range_inc        0.02000
_pd_proc_2theta_range_max        80.11782
_pd_proc_2theta_range_min        5.13782
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
;
Background function: "chebyschev-1" function with 36 terms:
    13149(24), 90(27), -754(28), 846(13), -777(10), 180(15), 
    65(18), -184(18), 32(17), 182(14), -249(9), 26(9), 126(12), 
    -185(13), 107(15), -55(14), 27(11), 32(9), -38(8), -41(10), 
    16(11), 99(11), -72(10), 48(8), 4(8), 6(9), 34(8), -68(9), 
    26(8), 12(8), -8(7), 3(9), 31(6), -3(8), -7(8), -0(7), 
;
_pd_proc_ls_pref_orient_corr
;
Simple spherical harmonic correction Order = 34
    Coefficients:  0:0:C(4,1) = 2.7(5); 0:0:C(6,1) = -1.1(5); 
    0:0:C(8,1) = -4.9(15); 0:0:C(10,1) = 3.2(7); 0:0:C(12,1) = -12.9(15); 
    0:0:C(12,2) = 10.7(12); 0:0:C(14,1) = 6.9(8); 0:0:C(16,1) = -13.4(17); 
    0:0:C(16,2) = 10.3(6); 0:0:C(18,1) = -13.2(22); 0:0:C(18,2) = 11.2(24); 
    0:0:C(20,1) = 1.3(18); 0:0:C(20,2) = -3.6(5); 0:0:C(22,1) = -1.3(25); 
    0:0:C(22,2) = -11.5(9); 0:0:C(24,1) = 21(4); 0:0:C(24,2) = 4.4(10); 
    0:0:C(24,3) = -9(3); 0:0:C(26,1) = -7(5); 0:0:C(26,2) = 0.6(10); 
    0:0:C(28,1) = -17(3); 0:0:C(28,2) = 15.2(13); 0:0:C(28,3) = 9.2(22); 
    0:0:C(30,1) = -2.4(28); 0:0:C(30,2) = 10.1(7); 0:0:C(30,3) = 2(4); 
    0:0:C(32,1) = 4(4); 0:0:C(32,2) = 8(3); 0:0:C(32,3) = 2.3(15); 
    0:0:C(34,1) = -3(3); 0:0:C(34,2) = 0.3(7); 0:0:C(34,3) = 6(9); 
;
_pd_proc_ls_profile_function
;
Finger-Cox-Jephcoat function parameters U, V, W, X, Y, SH/L:
  peak variance(Gauss) = Utan(Th)^2^+Vtan(Th)+W:
  peak HW(Lorentz) = X/cos(Th)+Ytan(Th); SH/L = S/L+H/L
  U, V, W in (centideg)^2^, X & Y in centideg
    -7.859(12)e4, 2.64(24)e3, 1.5(4)e2, 80.4(17), 457(30), 0.00305(22), 

;
_pd_proc_ls_prof_R_factor        0.00889
_pd_proc_ls_prof_wR_expected     0.00838
_pd_proc_ls_prof_wR_factor       0.01144
_pd_proc_number_of_points        3750
_pd_spec_mounting                ' ?'
_refine_ls_R_Fsqd_factor         0.31951
_reflns_d_resolution_high        1.202
_reflns_d_resolution_low         9.910
_reflns_limit_h_max              14
_reflns_limit_h_min              1
_reflns_limit_k_max              10
_reflns_limit_k_min              0
_reflns_limit_l_max              8
_reflns_limit_l_min              0
_reflns_number_total             98
_cod_data_source_file            d4nr03940h2.cif
_cod_data_source_block           Ni-MET
_cod_depositor_comments
'Adding full bibliography for 1572855--1572856.cif.'
_cod_original_cell_volume        5057.713472
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               1572856
_refine_ls_r_f_factor            0.09699
_gsas_proc_ls_prof_r_b_factor    0.01001
_gsas_proc_ls_prof_wr_b_factor   0.01235