POMOF/SWNT Nanocomposites with Prominent Peroxidase-Mimicking Activity for l-Cysteine "On-Off Switch" Colorimetric Biosensing.
Li, Xiao; Yang, Xi-Ya; Sha, Jing-Quan; Han, Tao; Du, Chun-Jiang; Sun, Yuan-Jie; Lan, Ya-Qian; ACS applied materials & interfaces 11 (2019) 16896–16904; doi:10.1021/acsami.9b00872

data_4514565
_publ_section_title
;
 POMOF/SWNT Nanocomposites with Prominent Peroxidase-Mimicking Activity
 for l-Cysteine &quot;On-Off Switch&quot; Colorimetric Biosensing.
;
_journal_issue                   18
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              16896
_journal_page_last               16904
_journal_paper_doi               10.1021/acsami.9b00872
_journal_volume                  11
_journal_year                    2019
_chemical_formula_moiety         'C24 H24 Cl3 Cu18 N36 O42 P W12'
_chemical_formula_sum            'C24 H24 Cl3 Cu18 N36 O42 P W12'
_chemical_formula_weight         4976.09
_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'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 113.8110(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.8861(13)
_cell_length_b                   20.5655(13)
_cell_length_c                   20.6780(14)
_cell_measurement_reflns_used    20365
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.998&#x00A1;&#x00E3;
_cell_measurement_theta_min      1.532&#x00A1;&#x00E3;
_cell_volume                     8125.9(9)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0636
_diffrn_reflns_av_unetI/netI     0.0790
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            20365
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         1.532
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    21.720
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (SHELDRICK,1996)'
_exptl_crystal_density_diffrn    4.068
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             8928.0
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   0.013
_exptl_transmission_factor_min   0.000
_refine_diff_density_max         4.912
_refine_diff_density_min         -3.297
_refine_diff_density_rms         0.421
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     624
_refine_ls_number_reflns         7173
_refine_ls_number_restraints     547
_refine_ls_restrained_S_all      0.992
_refine_ls_R_factor_all          0.1057
_refine_ls_R_factor_gt           0.0609
_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^)+(0.0884P)^2^+428.3702P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1504
_refine_ls_wR_factor_ref         0.1768
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4624
_reflns_number_total             7176
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            am9b00872_si_003.cif
_cod_data_source_block           shelx
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_database_code               4514565
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              49144
_shelx_hkl_checksum              68610