A pellet-type optical nanomaterial of silica-based naphthalimide-DPA-Cu(II) complexes: recyclable fluorescence detection of pyrophosphate with high sensitivity
Jun feng Zhang; Minsung Park; WenXiu Ren; Youngmee Kim; Sung-Jin Kim; Jong Hwa Jung; Jong Seung Kim; Chem.Commun. 47 (2011) 3568–; doi:10.1039/c1cc00021g

data_7106119
_publ_section_title
;
 A pellet-type optical nanomaterial of silica-based
 naphthalimide-DPA-Cu(II) complexes: recyclable fluorescence detection of
 pyrophosphate with high sensitivity
;
_journal_name_full               Chem.Commun.
_journal_page_first              3568
_journal_paper_doi               10.1039/c1cc00021g
_journal_volume                  47
_journal_year                    2011
_chemical_formula_sum            'C30 H29 Cl2 Cu N5 O10'
_chemical_formula_weight         754.02
_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
_cell_angle_alpha                71.39(3)
_cell_angle_beta                 88.55(3)
_cell_angle_gamma                88.32(3)
_cell_formula_units_Z            6
_cell_length_a                   8.4570(17)
_cell_length_b                   23.015(5)
_cell_length_c                   26.227(5)
_cell_measurement_reflns_used    877
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      19.02
_cell_measurement_theta_min      2.22
_cell_volume                     4835.1(19)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.949
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.1960
_diffrn_reflns_av_sigmaI/netI    0.8643
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            26100
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.06
_exptl_absorpt_coefficient_mu    0.909
_exptl_absorpt_correction_T_max  0.991
_exptl_absorpt_correction_T_min  0.849
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1997)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.554
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2322
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.838
_refine_diff_density_min         -0.944
_refine_diff_density_rms         0.124
_refine_ls_extinction_coef       0.0021(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.635
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1191
_refine_ls_number_reflns         18050
_refine_ls_number_restraints     679
_refine_ls_restrained_S_all      0.623
_refine_ls_R_factor_all          0.4893
_refine_ls_R_factor_gt           0.1256
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1368P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2695
_refine_ls_wR_factor_ref         0.3846
_reflns_number_gt                7809
_reflns_number_total             18050
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1cc00021g.txt
_cod_data_source_block           ym503sadp-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        4835.1(17)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7106119