STM Observation of Alkyl-Chain-Assisted Self-Assembled Monolayers of Pyridine-Coordinated Porphyrin Rhodium Chlorides
Ikeda, Taichi; Asakawa, Masumi; Goto, Midori; Miyake, Koji; Ishida, Takao; Shimizu, Toshimi; Langmuir 20 (2004) 5454–; doi:10.1021/la049577a

data_1506848
_publ_contact_author
;   
  Midori Goto 
  National Institute of Advanced Industtial Science and Technology 
       Tsukuba Central 5 1-1-1 Higashi Tsukuba
        Ibaraki
        Japan  305-8565
;
_publ_section_title
;
 STM Observation of Alkyl-Chain-Assisted Self-Assembled Monolayers of
 Pyridine-Coordinated Porphyrin Rhodium Chlorides
;
_journal_issue                   13
_journal_name_full               Langmuir
_journal_page_first              5454
_journal_paper_doi               10.1021/la049577a
_journal_volume                  20
_journal_year                    2004
_chemical_formula_moiety         'C49 H33 Cl1 N5 Rh1, C H Cl3'
_chemical_formula_sum            'C50 H34 Cl4 N5 Rh'
_chemical_formula_weight         949.57
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.547(2)
_cell_length_b                   25.181(2)
_cell_length_c                   9.817(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    193.2
_cell_measurement_theta_max      12.4
_cell_measurement_theta_min      10.2
_cell_volume                     4337.7(7)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SAPI91
_diffrn_measured_fraction_theta_full 0.9980
_diffrn_measured_fraction_theta_max 0.9980
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -1
_diffrn_reflns_number            6329
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        1.81
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.681
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.454
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1928.0
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.71
_refine_diff_density_min         -2.48
_refine_ls_abs_structure_details Flack
_refine_ls_abs_structure_Flack   0.01(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.197
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     537
_refine_ls_number_reflns         5534
_refine_ls_R_factor_gt           0.0560
_refine_ls_shift/su_max          0.0092
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1549
_reflns_number_gt                3809
_reflns_number_total             5534
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            la049577asi20040218_061136.cif
_cod_data_source_block           Rh(TPP)(Cl)(Py)
_cod_original_cell_volume        4337.7(8)
_cod_original_sg_symbol_H-M      'P 21 21 21   '
_cod_original_formula_sum        'C50 H34 Cl4 N5 Rh '
_cod_database_code               1506848