Three selective and sensitive “off‒on” probes based on rhodamine for Fe3+ imaging in living cells
Yang, Meipan; Xu, Chengchao; Li, Shaoni; Cheng, Zhao; Zhou, Jia; Yang, Bingqin; RSC Advances 4 (2014) 14248–; doi:10.1039/c4ra00396a

data_7239592
_publ_section_title
;
 Three selective and sensitive &#x201C;off--on&#x201D; probes based on
 rhodamine for Fe3+ imaging in living cells
;
_journal_issue                   27
_journal_name_full               'RSC Advances'
_journal_page_first              14248
_journal_paper_doi               10.1039/c4ra00396a
_journal_volume                  4
_journal_year                    2014
_chemical_formula_sum            'C H N O S'
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_space_group_name_Hall           '-P 2yn'
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_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
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_cell_angle_gamma                90.00
_cell_formula_units_Z            40
_cell_length_a                   16.334(3)
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_cell_length_c                   16.574(3)
_cell_measurement_reflns_used    2436
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_cell_measurement_theta_min      2.27
_cell_volume                     3076.8(9)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         2.13
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0755P)^2^+0.4744P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1402
_refine_ls_wR_factor_ref         0.1607
_reflns_number_gt                3640
_reflns_number_total             5473
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ra00396a1.txt
_cod_data_source_block           xb6440
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/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 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        3076.9(10)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7239592