Solvent viscosity tuned highly selective NIR and ratiometric fluorescent sensing of Fe(3+) by a symmetric chalcone analogue.
Diwan, Uzra; Kumar, Ajit; Kumar, Virendra; Upadhyay, K. K.; Dalton transactions (Cambridge, England : 2003) 42 (2013) 13889–13896; doi:10.1039/c3dt50733e

data_7021872
_publ_section_title
;
 Solvent viscosity tuned highly selective NIR and ratiometric fluorescent
 sensing of Fe(3+) by a symmetric chalcone analogue.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13889
_journal_page_last               13896
_journal_paper_doi               10.1039/c3dt50733e
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C31 H35 N3 O2'
_chemical_formula_sum            'C31 H35 N3 O2'
_chemical_formula_weight         481.64
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.58(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.913(4)
_cell_length_b                   16.712(11)
_cell_length_c                   15.741(9)
_cell_volume                     2599(3)
_diffrn_measured_fraction_theta_full 0.828357
_diffrn_measured_fraction_theta_max 0.828357
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0277
_diffrn_reflns_av_unetI/netI     0.0604
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            11418
_diffrn_reflns_theta_full        29.436889
_diffrn_reflns_theta_max         29.44
_diffrn_reflns_theta_min         3.19
_exptl_absorpt_coefficient_mu    0.077
_exptl_crystal_density_diffrn    1.2305
_exptl_crystal_F_000             1032.4256
_refine_diff_density_max         0.734976
_refine_diff_density_min         -0.615854
_refine_diff_density_rms         0.074099
_refine_ls_d_res_high            0.723073
_refine_ls_d_res_low             6.380589
_refine_ls_goodness_of_fit_ref   1.036501
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    58
_refine_ls_number_parameters     333
_refine_ls_number_reflns         5965
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036501
_refine_ls_R_factor_all          0.149676
_refine_ls_R_factor_gt           0.078151
_refine_ls_shift/su_max          0.0003
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0778P)^2^+0.9043P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.228468
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              12
_reflns_limit_h_min              -13
_reflns_limit_k_max              21
_reflns_limit_k_min              0
_reflns_limit_l_max              19
_reflns_limit_l_min              0
_reflns_number_gt                3000
_reflns_number_total             5965
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            c3dt50733e.txt
_cod_data_source_block           nnb-zn1
_cod_original_cell_volume        2600(2)
_cod_database_code               7021872