Versatile Reactivity of the Germene Mes2GeCR2toward Esters and Related Carbonyl Derivatives
Ech-Cherif El Kettani, Sakina; Lazraq, Mohamed; Ranaivonjatovo, Henri; Escudié, Jean; Gornitzka, Heinz; Ouhsaine, Fatima; Organometallics 26 (2007) 3729–; doi:10.1021/om060917s

data_4072438
_publ_section_title
;
 Versatile Reactivity of the Germene Mes2GeCR2toward Esters and Related
 Carbonyl Derivatives
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              3729
_journal_paper_doi               10.1021/om060917s
_journal_volume                  26
_journal_year                    2007
_chemical_formula_sum            'C37 H38 Ge O2'
_chemical_formula_weight         587.26
_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                108.034(4)
_cell_angle_beta                 91.282(5)
_cell_angle_gamma                108.565(5)
_cell_formula_units_Z            2
_cell_length_a                   9.861(2)
_cell_length_b                   10.976(2)
_cell_length_c                   15.163(3)
_cell_measurement_reflns_used    1137
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      22.789
_cell_measurement_theta_min      2.199
_cell_volume                     1466.0(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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      173(2)
_diffrn_measured_fraction_theta_full 0.871
_diffrn_measured_fraction_theta_max 0.871
_diffrn_measurement_device_type  'Bruker CCD 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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.1037
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4579
_diffrn_reflns_theta_full        23.36
_diffrn_reflns_theta_max         23.36
_diffrn_reflns_theta_min         2.08
_exptl_absorpt_coefficient_mu    1.077
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.567423
_exptl_absorpt_correction_type   semi-empirical
_exptl_absorpt_process_details   'TWINABS (Bruker-AXS)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.330
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             616
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.3
_refine_diff_density_max         1.066
_refine_diff_density_min         -1.025
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     371
_refine_ls_number_reflns         4580
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0886
_refine_ls_R_factor_gt           0.0584
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0617P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1118
_refine_ls_wR_factor_ref         0.1241
_reflns_number_gt                3506
_reflns_number_total             4580
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            carbo2a.cif
_cod_data_source_block           8
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1466.0(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4072438