Near-IR Two Photon Microscopy Imaging of Silica Nanoparticles Functionalized with Isolated Sensitized Yb(III) Centers
Lapadula, Giuseppe; Bourdolle, Adrien; Allouche, Florian; Conley, Matthew P.; del Rosal, Iker; Maron, Laurent; Lukens, Wayne W.; Guyot, Yannick; Andraud, Chantal; Brasselet, Sophie; Copéret, Christophe; Maury, Olivier; Andersen, Richard A.; Chemistry of Materials 26 (2014) 1062–; doi:10.1021/cm404140q

data_4001874
_publ_section_title
;
 Near-IR Two Photon Microscopy Imaging of Silica Nanoparticles
 Functionalized with Isolated Sensitized Yb(III) Centers
;
_journal_issue                   2
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1062
_journal_paper_doi               10.1021/cm404140q
_journal_volume                  26
_journal_year                    2014
_chemical_formula_moiety         'C48 H93 N2 O12 Si3 Yb'
_chemical_formula_sum            'C48 H93 N2 O12 Si3 Yb'
_chemical_formula_weight         1147.55
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2013-09-17
_audit_creation_method
;
  Olex2 1.1
  (compiled Nov  1 2011 20:42:30, GUI svn.r3906)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 106.4669(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.120(2)
_cell_length_b                   13.9438(17)
_cell_length_c                   23.307(3)
_cell_measurement_reflns_used    9752
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      30.159
_cell_measurement_theta_min      2.336
_cell_volume                     5958.9(12)
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
XS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.946
_diffrn_measured_fraction_theta_max 0.946
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'MO K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0354
_diffrn_reflns_av_unetI/netI     0.0296
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            89465
_diffrn_reflns_theta_full        31.08
_diffrn_reflns_theta_max         31.08
_diffrn_reflns_theta_min         0.91
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.683
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.6476
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
R(int) was 0.0601 before and 0.0411 after correction.
The Ratio of minimum to maximum transmission is 0.8679.
The \l/2 correction factor is 0.0015.
;
_exptl_crystal_density_diffrn    1.279
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2412
_refine_diff_density_max         7.237
_refine_diff_density_min         -3.365
_refine_diff_density_rms         0.155
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.308
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     655
_refine_ls_number_reflns         18110
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.312
_refine_ls_R_factor_all          0.0779
_refine_ls_R_factor_gt           0.0705
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0169P)^2^+50.9052P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1515
_refine_ls_wR_factor_ref         0.1544
_reflns_number_gt                16238
_reflns_number_total             18110
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm404140q_si_003.cif
_cod_data_source_block           fa12_0m
_cod_original_cell_volume        5958.9(13)
_cod_database_code               4001874