A silver-alkynyl cluster encapsulating a fluorescent polyoxometalate core: enhanced emission and fluorescence modulation.
Song, Chao-Yu; Chai, Dong-Feng; Zhang, Rui-Ren; Liu, Hong; Qiu, Yun-Feng; Guo, Hua-Dong; Gao, Guang-Gang; Dalton transactions (Cambridge, England : 2003) 44 (2015) 3997–4002; doi:10.1039/c4dt03826f

data_7033547
_publ_section_title
;
 A silver-alkynyl cluster encapsulating a fluorescent polyoxometalate
 core: enhanced emission and fluorescence modulation.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3997
_journal_page_last               4002
_journal_paper_doi               10.1039/c4dt03826f
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         '0.4(C167 H248 Ag42 Cl4 Eu O36 W10), 0.8(O)'
_chemical_formula_sum            'C168 H255 Ag42 Cl4 Eu O38 W10'
_chemical_formula_weight         9545.49
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_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
_audit_update_record
;
2014-12-12 deposited with the CCDC.
2015-01-07 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 99.209(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.7850(5)
_cell_length_b                   27.3331(5)
_cell_length_c                   39.2083(10)
_cell_measurement_reflns_used    34663
_cell_measurement_temperature    122.97(13)
_cell_measurement_theta_max      29.1410
_cell_measurement_theta_min      3.7130
_cell_volume                     24103.6(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      122.97(13)
_diffrn_detector_area_resol_mean 16.1280
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'New Gemini, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       '\w scan'
_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  0.0399
_diffrn_reflns_av_sigmaI/netI    0.0658
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       48
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            111811
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.37
_exptl_absorpt_coefficient_mu    8.419
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.60832
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.630
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bipyramid
_exptl_crystal_F_000             30737
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         5.528
_refine_diff_density_min         -3.631
_refine_diff_density_rms         0.300
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     2181
_refine_ls_number_reflns         47137
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0903
_refine_ls_R_factor_gt           0.0575
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0455P)^2^+609.9987P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1256
_refine_ls_wR_factor_ref         0.1457
_reflns_number_gt                34363
_reflns_number_total             47137
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt03826f2.cif
_cod_data_source_block           ageuw10
_cod_depositor_comments          'Adding full bibliography for 7033547.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7033547