(4+4)-Coordinate germanium atoms in tetrakis(dialkylaminoxy)germanes
Mitzel, Norbert W.; Vojinović, Krunoslav; Journal of the Chemical Society, Dalton Transactions  (2002) 2341–; doi:10.1039/b201472f

data_7011555
_publ_section_title
;
 (4+4)-Coordinate germanium atoms in tetrakis(dialkylaminoxy)germanes
;
_journal_issue                   11
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2341
_journal_paper_doi               10.1039/b201472f
_journal_year                    2002
_chemical_formula_sum            'C8 H24 Ge N4 O4'
_chemical_formula_weight         313.08
_chemical_name_systematic
; 
Tetrakis(N,N-dimethylaminoxy)germane
;
_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                96.516(3)
_cell_angle_beta                 96.585(2)
_cell_angle_gamma                91.3672(16)
_cell_formula_units_Z            2
_cell_length_a                   8.9412(4)
_cell_length_b                   9.1281(4)
_cell_length_c                   9.2285(4)
_cell_measurement_reflns_used    31651
_cell_measurement_temperature    143(2)
_cell_measurement_theta_max      27.31
_cell_measurement_theta_min      2.98
_cell_volume                     742.87(6)
_computing_cell_refinement       SCALEPACK
_computing_data_collection       'Nonius-DIP 2020 Software'
_computing_data_reduction        'SCALEPACK, DIPSHEL'
_computing_molecular_graphics    'SHELXTL 5.01'
_computing_publication_material  'SHELXTL 5.01'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      143(2)
_diffrn_detector_area_resol_mean '8 - 0.78'
_diffrn_measured_fraction_theta_full 0.917
_diffrn_measured_fraction_theta_max 0.917
_diffrn_measurement_device_type  'Nonius DIP 2020'
_diffrn_measurement_method       'phi scans 2.0&#x00B0;'
_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  0.0880
_diffrn_reflns_av_sigmaI/netI    0.0742
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            31651
_diffrn_reflns_theta_full        27.39
_diffrn_reflns_theta_max         27.39
_diffrn_reflns_theta_min         2.98
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    2.072
_exptl_absorpt_correction_type   'Intensity corrections by SCALEPACK'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.399
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             328
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.244
_refine_diff_density_min         -0.912
_refine_diff_density_rms         0.153
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.161
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     194
_refine_ls_number_reflns         3104
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.161
_refine_ls_R_factor_all          0.0886
_refine_ls_R_factor_gt           0.0779
_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^)+(0.0329P)^2^+6.8542P] where P==(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1754
_refine_ls_wR_factor_ref         0.1838
_reflns_number_gt                2783
_reflns_number_total             3104
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b201472f.txt
_cod_data_source_block           kruno8
_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_enum 1527 2010-12-29 10:47:43Z saulius 

2018-01-21
Z value changed to be consistent with given formula
                 miguel
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_units_Z    4
_cod_database_code               7011555