Lewis Base Character of Hydroxygermylenes for the Preparation of Heterobimetallic LGe(OH)M Systems (M = Fe, Mn, L = HC[(CMe)(NAr)]2, Ar = 2,6-iPr2C6H3)
Pineda, Leslie W.; Jancik, Vojtech; Colunga-Valladares, Juan F.; Roesky, Herbert W.; Hofmeister, Anja; Magull, Jörg; Organometallics 25 (2006) 2381–; doi:10.1021/om0600893

data_4075175
_publ_section_title
;
 Lewis Base Character of Hydroxygermylenes for the Preparation of
 Heterobimetallic LGe(OH)M Systems (M = Fe, Mn, L = HC[(CMe)(NAr)]2, Ar =
 2,6-iPr2C6H3)
;
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              2381
_journal_paper_doi               10.1021/om0600893
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C36 H47 Ge Mn N2 O3'
_chemical_formula_sum            'C36 H47 Ge Mn N2 O3'
_chemical_formula_weight         683.29
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.02(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.705(1)
_cell_length_b                   20.487(1)
_cell_length_c                   15.160(1)
_cell_measurement_temperature    133(2)
_cell_volume                     3292.3(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0791
_diffrn_reflns_av_sigmaI/netI    0.0686
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            31533
_diffrn_reflns_theta_full        24.84
_diffrn_reflns_theta_max         24.84
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    1.334
_exptl_crystal_colour            orange-yellow
_exptl_crystal_density_diffrn    1.378
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1432
_refine_diff_density_max         0.406
_refine_diff_density_min         -0.413
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.806
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     400
_refine_ls_number_reflns         5672
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.806
_refine_ls_R_factor_all          0.0610
_refine_ls_R_factor_gt           0.0304
_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^)+(0.0270P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0587
_refine_ls_wR_factor_ref         0.0632
_reflns_number_gt                3544
_reflns_number_total             5672
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0600893si20060127_063754.cif
_cod_data_source_block           lp143b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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        3292(1)
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               4075175