Kinetic and spectroscopic responses of pH-sensitive nanoparticles: influence of the silica matrix
Clasen, Anne; Wenderoth, Sarah; Tavernaro, Isabella; Fleddermann, Jana; Kraegeloh, Annette; Jung, Gregor; RSC Advances 9 (2019) 35695–; doi:10.1039/C9RA06047B

data_7234974
_publ_section_title
;
 Kinetic and spectroscopic responses of pH-sensitive nanoparticles:
 influence of the silica matrix
;
_journal_issue                   61
_journal_name_full               'RSC Advances'
_journal_page_first              35695
_journal_paper_doi               10.1039/C9RA06047B
_journal_volume                  9
_journal_year                    2019
_chemical_formula_moiety         'C23 H15 Br F6 O7 S2'
_chemical_formula_sum            'C23 H15 Br F6 O7 S2'
_chemical_formula_weight         661.38
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2019-03-21 deposited with the CCDC.	2019-10-07 downloaded from the CCDC.
;
_cell_angle_alpha                87.330(4)
_cell_angle_beta                 87.521(4)
_cell_angle_gamma                83.123(4)
_cell_formula_units_Z            2
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_cell_length_b                   13.1343(7)
_cell_length_c                   17.3655(10)
_cell_measurement_reflns_used    3538
_cell_measurement_temperature    142(2)
_cell_measurement_theta_max      25.36
_cell_measurement_theta_min      2.35
_cell_volume                     1223.38(12)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      142(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0566
_diffrn_reflns_av_unetI/netI     0.0618
_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            22922
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.994
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_diffrn_reflns_theta_max         28.019
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_exptl_absorpt_coefficient_mu    1.941
_exptl_absorpt_correction_T_max  0.8621
_exptl_absorpt_correction_T_min  0.7768
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., 
 J. Appl. Cryst. 48 (2015) 3-10 
;
_exptl_crystal_colour            colourless
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_refine_ls_R_factor_gt           0.0488
_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^)+(0.0589P)^2^+1.0998P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1280
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_reflns_number_gt                4312
_reflns_number_total             5875
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9ra06047b2.cif
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_shelx_estimated_absorpt_t_min   0.652
_shelx_estimated_absorpt_t_max   0.911
_shelxl_version_number           2014/6
_shelx_res_checksum              82059