Light-triggered NO release from a nanofibrous non-woven
Bohlender, Carmen; Wolfram, Martin; Goerls, Helmar; Imhof, Wolfgang; Menzel, Roberto; Baumgaertel, Anja; Schubert, Ulrich S.; Mueller, Ulrike; Frigge, Martina; Schnabelrauch, Matthias; Wyrwa, Ralf; Schiller, Alexander; Journal of Materials Chemistry 22 (2012) 8785–; doi:10.1039/c2jm15410b

data_7207903
_publ_section_title
;
 Light-triggered NO release from a nanofibrous non-woven
;
_journal_issue                   18
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              8785
_journal_paper_doi               10.1039/c2jm15410b
_journal_volume                  22
_journal_year                    2012
_chemical_formula_moiety         'C16 H16 N6 O2'
_chemical_formula_sum            'C16 H16 N6 O2'
_chemical_formula_weight         324.35
_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                81.797(4)
_cell_angle_beta                 73.957(5)
_cell_angle_gamma                75.363(5)
_cell_formula_units_Z            4
_cell_length_a                   11.4171(7)
_cell_length_b                   11.8541(9)
_cell_length_c                   12.1504(9)
_cell_measurement_reflns_used    10391
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      1.75
_cell_volume                     1524.40(19)
_computing_cell_refinement       DENZO
_computing_data_collection       COLLECT
_computing_data_reduction        DENZO
_computing_molecular_graphics    SHELXTL/PC
_computing_publication_material  SHELXTL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi- + omega-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  0.0416
_diffrn_reflns_av_sigmaI/netI    0.1055
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10391
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    0.099
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.413
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             680
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.246
_refine_diff_density_min         -0.242
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.957
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     453
_refine_ls_number_reflns         6870
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.957
_refine_ls_R_factor_all          0.1230
_refine_ls_R_factor_gt           0.0538
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0589P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1061
_refine_ls_wR_factor_ref         0.1295
_reflns_number_gt                3950
_reflns_number_total             6870
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2jm15410b.txt
_cod_data_source_block           FO3997
_cod_database_code               7207903