Aminotroponiminatosilathio- and Siloxygermylenes: Reactivity Comparison
Karwasara, Surendar; Siwatch, Rahul Kumar; Jha, Chandan Kumar; Nagendran, Selvarajan; Organometallics 34 (2015) 3246–; doi:10.1021/acs.organomet.5b00286

data_4086220
_publ_section_title
;
 Aminotroponiminatosilathio- and Siloxygermylenes: Reactivity Comparison
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3246
_journal_paper_doi               10.1021/acs.organomet.5b00286
_journal_volume                  34
_journal_year                    2015
_chemical_formula_moiety         'C37 H38 Fe Ge N2 O5 Si'
_chemical_formula_sum            'C37 H38 Fe Ge N2 O5 Si'
_chemical_formula_weight         747.24
_chemical_name_systematic
; 
 ? 
;
_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                90.059(2)
_cell_angle_beta                 90.080(2)
_cell_angle_gamma                99.031(2)
_cell_formula_units_Z            4
_cell_length_a                   13.2574(18)
_cell_length_b                   14.068(2)
_cell_length_c                   19.434(3)
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      25.000
_cell_measurement_theta_min      2.27
_cell_volume                     3579.6(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0291
_diffrn_reflns_av_sigmaI/netI    0.0367
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            34418
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.05
_exptl_absorpt_coefficient_mu    1.322
_exptl_absorpt_correction_T_max  0.814
_exptl_absorpt_correction_T_min  0.651
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.387
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1544.0
_exptl_crystal_size_max          0.511
_exptl_crystal_size_mid          0.277
_exptl_crystal_size_min          0.156
_refine_diff_density_max         0.526
_refine_diff_density_min         -0.271
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     855
_refine_ls_number_reflns         12548
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0385
_refine_ls_R_factor_gt           0.0325
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0464P)^2^+0.8870P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0827
_refine_ls_wR_factor_ref         0.0854
_reflns_number_gt                10992
_reflns_number_total             12618
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om5b00286_si_001.cif
_cod_data_source_block           sur34m
_cod_database_code               4086220