A dual functional probe for "turn-on" fluorescence response of Pb(2+) and colorimetric detection of Cu(2+) based on a rhodamine derivative in aqueous media.
Li, Min; Jiang, Xiu-Juan; Wu, Hui-Hui; Lu, Hong-Lin; Li, Hai-Yang; Xu, Hong; Zang, Shuang-Quan; Mak, Thomas C. W.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 17326–17334; doi:10.1039/c5dt02731d

data_7036347
_publ_section_title
;
 A dual functional probe for &quot;turn-on&quot; fluorescence response of
 Pb(2+) and colorimetric detection of Cu(2+) based on a rhodamine
 derivative in aqueous media.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17326
_journal_page_last               17334
_journal_paper_doi               10.1039/c5dt02731d
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C82 H94 N12 O20 Pb2, 2(N O3), 8(H2 O)'
_chemical_formula_sum            'C82 H110 N14 O34 Pb2'
_chemical_formula_weight         2250.24
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-05-09 deposited with the CCDC.
2015-09-01 downloaded from the CCDC.
;
_cell_angle_alpha                63.766(5)
_cell_angle_beta                 77.410(3)
_cell_angle_gamma                78.245(4)
_cell_formula_units_Z            1
_cell_length_a                   12.1829(4)
_cell_length_b                   14.0906(8)
_cell_length_c                   14.9798(6)
_cell_measurement_reflns_used    5971
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.0900
_cell_measurement_theta_min      3.2820
_cell_volume                     2234.2(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0589
_diffrn_reflns_av_sigmaI/netI    0.0872
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17572
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.94
_exptl_absorpt_coefficient_mu    3.858
_exptl_absorpt_correction_T_max  0.519
_exptl_absorpt_correction_T_min  0.467
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.673
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1136
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.17
_refine_diff_density_max         2.260
_refine_diff_density_min         -6.952
_refine_diff_density_rms         0.229
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     588
_refine_ls_number_reflns         8302
_refine_ls_number_restraints     3733
_refine_ls_restrained_S_all      0.863
_refine_ls_R_factor_all          0.0819
_refine_ls_R_factor_gt           0.0680
_refine_ls_shift/su_max          0.037
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1005P)^2^+21.5900P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1700
_refine_ls_wR_factor_ref         0.1824
_reflns_number_gt                7034
_reflns_number_total             8315
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt02731d2.cif
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value ' triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7036347.cif.
;
_cod_original_cell_volume        2234.16(17)
_cod_database_code               7036347