Synthesis and assembling properties of bioorganometallic cyclometalated Au(iii) alkynyls bearing guanosine moieties.
Meng, Xiangtai; Moriuchi, Toshiyuki; Tohnai, Norimitsu; Miyata, Mikiji; Kawahata, Masatoshi; Yamaguchi, Kentaro; Hirao, Toshikazu; Organic & biomolecular chemistry 9 (2011) 5633–5636; doi:10.1039/c1ob05842h

data_7151967
_publ_section_title
;
 Synthesis and assembling properties of bioorganometallic
 cyclometalated Au(iii) alkynyls bearing guanosine moieties.
;
_journal_issue                   16
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              5633
_journal_page_last               5636
_journal_paper_doi               10.1039/c1ob05842h
_journal_volume                  9
_journal_year                    2011
_chemical_absolute_configuration rm
_chemical_formula_moiety         'C37 H69 N5 O6 Si4 '
_chemical_formula_sum            'C37 H69 N5 O6 Si4'
_chemical_formula_weight         792.32
_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                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   9.84534(19)
_cell_length_b                   13.7667(3)
_cell_length_c                   35.6430(7)
_cell_measurement_reflns_used    29315
_cell_measurement_temperature    203.1
_cell_measurement_theta_max      68.1
_cell_measurement_theta_min      3.2
_cell_volume                     4830.98(17)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR2004
_diffrn_ambient_temperature      203
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.108
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            49071
_diffrn_reflns_theta_full        68.22
_diffrn_reflns_theta_max         68.22
_exptl_absorpt_coefficient_mu    1.487
_exptl_absorpt_correction_T_max  0.862
_exptl_absorpt_correction_T_min  0.634
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.089
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1720.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.27
_refine_diff_density_min         -0.21
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881. 3810 Friedel Pairs'
_refine_ls_abs_structure_Flack   -0.03(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.913
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     478
_refine_ls_number_reflns         8755
_refine_ls_R_factor_gt           0.0718
_refine_ls_shift/su_max          0.0090
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0892P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1962
_reflns_number_gt                3449
_reflns_number_total             8755
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c1ob05842h.txt
_cod_data_source_block           compound5
_cod_original_cell_volume        4830.98(16)
_cod_original_formula_sum        'C37 H69 N5 O6 Si4 '
_cod_database_code               7151967