Germane vs. digermane formation
P. Steiniger; G. Bendt; D. Blaser; C. Wolper; S. Schulz; Chem.Commun. 50 (2014) 15461–; doi:10.1039/C4cc07921C

data_7116057
_publ_section_title
;
 Germane vs. digermane formation
;
_journal_name_full               Chem.Commun.
_journal_page_first              15461
_journal_paper_doi               10.1039/C4cc07921C
_journal_volume                  50
_journal_year                    2014
_chemical_formula_moiety         'C24 H58 Ge2 N4 Se2 Si2'
_chemical_formula_sum            'C24 H58 Ge2 N4 Se2 Si2'
_chemical_formula_weight         762.02
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_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_H-M   'P -1'
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_cell_angle_gamma                99.856(3)
_cell_formula_units_Z            4
_cell_length_a                   11.9600(7)
_cell_length_b                   18.0926(11)
_cell_length_c                   18.1839(11)
_cell_measurement_reflns_used    23513
_cell_measurement_temperature    100(1)
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_cell_measurement_theta_min      2.297
_cell_volume                     3541.9(4)
_computing_cell_refinement       'BRUKER D8 KAPPA APEX 2 Vers. 3.0-2009'
_computing_data_collection       'BRUKER D8 KAPPA APEX 2 Vers. 3.0-2009'
_computing_data_reduction        'BRUKER D8 KAPPA APEX 2 Vers. 3.0-2009'
_computing_molecular_graphics    'BRUKER AXS Inc. 2008 Vers. 2008/4'
_computing_publication_material  'SHELXL-2014/5 (Sheldrick, 2014)'
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_computing_structure_solution    'BRUKER D8 KAPPA APEX 2 Vers. 3.0-2009'
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_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type
; 
 Bruker D8 KAPPA series II with APEX II area detector system
;
_diffrn_measurement_method
;
 Data collection strategy APEX 2/COSMO
;
_diffrn_radiation_monochromator  'Triumph Goebel mirror'
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_diffrn_reflns_av_unetI/netI     0.0482
_diffrn_reflns_Laue_measured_fraction_full 0.997
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_diffrn_reflns_limit_h_min       -15
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_diffrn_reflns_limit_l_min       -24
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_diffrn_reflns_point_group_measured_fraction_full 0.997
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.178
_diffrn_reflns_theta_min         1.349
_diffrn_source                   'sealed X-RAY tube'
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_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_correction_T_min  0.50
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 BRUKER AXS SMART APEX 2 Vers. 3.0-2009
 R.H. Blessing, Acta Cryst. (1995) A51 33-38 
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_description       block
_exptl_crystal_F_000             1560
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.110
_refine_diff_density_max         2.720
_refine_diff_density_min         -0.702
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         17182
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
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_refine_ls_R_factor_gt           0.0382
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0378P)^2^+7.4020P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0831
_refine_ls_wR_factor_ref         0.0923
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12899
_reflns_number_total             17182
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4cc07921c2.cif
_cod_data_source_block           pst_074m
_cod_database_code               7116057
_shelx_estimated_absorpt_t_min   0.413
_shelx_estimated_absorpt_t_max   0.677
_shelxl_version_number           2014/5
_shelx_res_checksum              73573