Water Dispersible and Biocompatible Porphyrin-Based Nanospheres for Biophotonics Applications: A Novel Surfactant and Polyelectrolyte-Based Fabrication Strategy for Modifying Hydrophobic Porphyrins.
Sheng, Ning; Zong, Shenfei; Cao, Wei; Jiang, Jianzhuang; Wang, Zhuyuan; Cui, Yiping; ACS applied materials & interfaces 7 (2015) 19718–19725; doi:10.1021/acsami.5b05256

data_4513653
_publ_section_title
;
 Water Dispersible and Biocompatible Porphyrin-Based Nanospheres for
 Biophotonics Applications: A Novel Surfactant and Polyelectrolyte-Based
 Fabrication Strategy for Modifying Hydrophobic Porphyrins.
;
_journal_issue                   35
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              19718
_journal_page_last               19725
_journal_paper_doi               10.1021/acsami.5b05256
_journal_volume                  7
_journal_year                    2015
_chemical_formula_sum            'C60 H38 N4'
_chemical_formula_weight         814.94
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.4131(8)
_cell_length_b                   13.4131(8)
_cell_length_c                   12.342(3)
_cell_measurement_temperature    150(2)
_cell_volume                     2220.5(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_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  0.0218
_diffrn_reflns_av_sigmaI/netI    0.0232
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            3048
_diffrn_reflns_theta_full        65.99
_diffrn_reflns_theta_max         65.99
_diffrn_reflns_theta_min         4.66
_exptl_absorpt_coefficient_mu    0.550
_exptl_absorpt_correction_T_max  0.9369
_exptl_absorpt_correction_T_min  0.8979
_exptl_crystal_density_diffrn    1.219
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             852
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.222
_refine_diff_density_min         -0.239
_refine_diff_density_rms         0.039
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     143
_refine_ls_number_reflns         986
_refine_ls_number_restraints     507
_refine_ls_restrained_S_all      1.219
_refine_ls_R_factor_all          0.0981
_refine_ls_R_factor_gt           0.0705
_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^)+(0.1043P)^2^+1.6211P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2002
_refine_ls_wR_factor_ref         0.2201
_reflns_number_gt                655
_reflns_number_total             986
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            am5b05256_si_003.cif
_cod_data_source_block           140524e
_cod_original_cell_volume        2220.6(6)
_cod_database_code               4513653