A fast and selective probe for monitoring Pd(2+) in aqueous medium via the dual-optical readout.
Kumar, Anup; Chhatwal, Megha; Singh, Alok Kumar; Singh, Vikram; Trivedi, Manoj; Chemical communications (Cambridge, England) 50 (2014) 8488–8490; doi:10.1039/c4cc03891f

data_7124572
_publ_section_title
;
 A fast and selective probe for monitoring Pd(2+) in aqueous medium via
 the dual-optical readout.
;
_journal_issue                   62
_journal_name_full
'Chemical communications (Cambridge, England)'
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_journal_page_last               8490
_journal_paper_doi               10.1039/c4cc03891f
_journal_volume                  50
_journal_year                    2014
_chemical_formula_moiety         'C28 H22 Cl2 F12 N8 P2 Pd Ru'
_chemical_formula_sum            'C28 H22 Cl2 F12 N8 P2 Pd Ru'
_chemical_formula_weight         1038.84
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_diffrn_reflns_theta_min         2.993
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.130
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_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Brown
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_exptl_crystal_description       Dot
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_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     369
_refine_ls_number_reflns         13789
_refine_ls_number_restraints     80
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          0.4060
_refine_ls_R_factor_gt           0.2242
_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^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4353
_refine_ls_wR_factor_ref         0.5349
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4235
_reflns_number_total             13789
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4cc03891f2.cif
_cod_data_source_block           1+Pd
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7124572
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_shelx_res_checksum              90474
_shelx_hkl_checksum              25284