A temperature-sensitive luminescent Ag20 nanocluster templated by carbonate in situ generated from atmospheric CO2 fixation
Yuan, Shuai; Deng, Yong-Kai; Wang, Xing-Po; Sun, Di; New Journal of Chemistry 37 (2013) 2973–; doi:10.1039/c3nj00645j

data_7053092
_publ_section_title
;
 A temperature-sensitive luminescent Ag20 nanocluster templated by
 carbonate in situ generated from atmospheric CO2 fixation
;
_journal_issue                   10
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              2973
_journal_paper_doi               10.1039/c3nj00645j
_journal_volume                  37
_journal_year                    2013
_chemical_formula_sum            'C59 H132 Ag20 N14 O33 S10'
_chemical_formula_weight         4043.79
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 92.474(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.9534(18)
_cell_length_b                   12.6293(13)
_cell_length_c                   26.729(3)
_cell_measurement_reflns_used    2900
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      38.014
_cell_measurement_theta_min      4.803
_cell_volume                     5717.6(11)
_computing_cell_refinement       'SAINT+ ver. (Bruker, 2001)'
_computing_data_collection       'APEX2  (Bruker, 2008)'
_computing_data_reduction        'SAINT+ ver. (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD area detector'
_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  0.0815
_diffrn_reflns_av_sigmaI/netI    0.1086
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            27333
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    3.590
_exptl_absorpt_correction_T_max  0.7622
_exptl_absorpt_correction_T_min  0.6726
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.349
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3896
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.214
_refine_diff_density_min         -1.560
_refine_diff_density_rms         0.206
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     692
_refine_ls_number_reflns         10019
_refine_ls_number_restraints     195
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.1661
_refine_ls_R_factor_gt           0.0888
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0748P)^2^+155.9455P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1933
_refine_ls_wR_factor_ref         0.2309
_reflns_number_gt                5322
_reflns_number_total             10019
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3nj00645j.txt
_cod_data_source_block           p
_cod_original_cell_volume        5717.5(10)
_cod_database_code               7053092