A supramolecular array assembled via the complementary binding properties of ruthenium(II) and tin(IV) porphyrins
Maiya, Bhaskar G.; Bampos, Nick; Asok Kumar, A.; Feeder, Neil; Sanders, Jeremy K. M.; New Journal of Chemistry 25 (2001) 797–; doi:10.1039/b010148f

data_7051099
_publ_section_title
;
 A supramolecular array assembled via the complementary binding
 properties of ruthenium(II) and tin(IV) porphyrins
;
_journal_issue                   6
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              797
_journal_paper_doi               10.1039/b010148f
_journal_volume                  25
_journal_year                    2001
_chemical_formula_sum            'C89 H111 N5 O3 Ru'
_chemical_formula_weight         1399.90
_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                80.02(1)
_cell_angle_beta                 77.70(1)
_cell_angle_gamma                69.65(1)
_cell_formula_units_Z            2
_cell_length_a                   13.342(2)
_cell_length_b                   16.113(2)
_cell_length_c                   25.563(2)
_cell_measurement_temperature    180(2)
_cell_volume                     5004.6(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'Thin-slice /w and /f scans'
_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  0.0508
_diffrn_reflns_av_sigmaI/netI    0.0813
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_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            40502
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         3.52
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.197
_exptl_absorpt_correction_T_max  0.9806
_exptl_absorpt_correction_T_min  0.9617
_exptl_crystal_density_diffrn    0.929
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1496
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.562
_refine_diff_density_min         -0.739
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     922
_refine_ls_number_reflns         22773
_refine_ls_number_restraints     72
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.1153
_refine_ls_R_factor_gt           0.0779
_refine_ls_shift/su_max          0.039
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1545P)^2^+4.7911P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2352
_refine_ls_wR_factor_ref         0.2640
_reflns_number_gt                15643
_reflns_number_total             22773
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b010148f.txt
_cod_data_source_block           js9929
_cod_original_cell_volume        5004.6(10)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7051099