Solvent driven formation of silver embedded resorcinarene nanorods
Salorinne, Kirsi; Lopez-Acevedo, Olga; Nauha, Elisa; Häkkinen, Hannu; Nissinen, Maija; CrystEngComm 14 (2012) 347–; doi:10.1039/c1ce05737e

data_7206968
_publ_section_title
;
 Solvent driven formation of silver embedded resorcinarene nanorods
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              347
_journal_paper_doi               10.1039/c1ce05737e
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C60.5 H96 Ag F6 O20 P'
_chemical_formula_weight         1396.21
_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                69.649(2)
_cell_angle_beta                 76.099(2)
_cell_angle_gamma                73.507(2)
_cell_formula_units_Z            2
_cell_length_a                   10.8013(3)
_cell_length_b                   17.5560(5)
_cell_length_c                   20.4806(5)
_cell_measurement_temperature    173(2)
_cell_volume                     3447.92(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0586
_diffrn_reflns_av_sigmaI/netI    0.0616
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            17974
_diffrn_reflns_theta_full        66.93
_diffrn_reflns_theta_max         66.93
_diffrn_reflns_theta_min         2.33
_exptl_absorpt_coefficient_mu    3.286
_exptl_absorpt_correction_T_max  0.8529
_exptl_absorpt_correction_T_min  0.6385
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Denzo (Otwinowski, Borek, Majewski & Minor, 2003)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1470
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.767
_refine_diff_density_min         -0.601
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     868
_refine_ls_number_reflns         11823
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0949
_refine_ls_R_factor_gt           0.0623
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0781P)^2^+6.3663P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1548
_refine_ls_wR_factor_ref         0.1762
_reflns_number_gt                8495
_reflns_number_total             11823
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05737e.txt
_cod_data_source_block           ksaI
_cod_original_cell_volume        3447.92(16)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C60.50 H96 Ag F6 O20 P'
_cod_database_code               7206968