data_1100973
_publ_requested_journal          Inorg.Chem.
loop_
_publ_author_name
'Mitzi, David'
_chemical_name_systematic        "'hydrazinium germanium(IV) selenide'"
_chemical_name_common            "'hydrazinium germanium(IV) selenide'"
_chemical_formula_moiety         'N8 H20 Ge2 Se6'
_chemical_formula_sum            'N8 H20 Ge2 Se6'
_chemical_formula_weight         751.14
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
N ? 0.006 0.003 'International Tables Vol. IV Table 2.2B'
H ? 0.000 0.000 'International Tables Vol. IV Table 2.2B'
Ge ? 0.155 1.800 'International Tables Vol. IV Table 2.2B'
Se ? -0.093 2.226 'International Tables Vol. IV Table 2.2B'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'I 41 c d'
_symmetry_int_tables_number      110
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
-y,1/2+x,1/4+z
1/2-y,x,3/4+z
1/2-x,1/2-y,1/2+z
-x,-y,z
1/2+y,-x,3/4+z
y,1/2-x,1/4+z
-x,y,1/2+z
1/2-x,1/2+y,z
y,1/2+x,3/4+z
1/2+y,x,1/4+z
1/2+x,1/2-y,z
x,-y,1/2+z
1/2-y,-x,1/4+z
-y,1/2-x,3/4+z
_cell_length_a                   12.7080(12)
_cell_length_b                   12.7080(12)
_cell_length_c                   21.9553(20)
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_volume                     3545.6(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    293
_cell_measurement_reflns_used    24
_cell_measurement_theta_min      20.00
_cell_measurement_theta_max      25.00
_cell_special_details
;
 ?  #Insert any comments here.
;
_exptl_crystal_description       'irregular block'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_exptl_crystal_size_rad          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.814
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2754.72
_exptl_absorpt_coefficient_mu    15.70
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Molybdenum K\a'
_diffrn_radiation_wavelength     0.70930
_diffrn_source                   'xray tube'
_diffrn_source_type              'Bruker SMART 1000'
_diffrn_measurement_device       'SMART 1000'
_diffrn_measurement_method       CCD
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?
_diffrn_reflns_number            17454
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_av_sigmaI/netI    ?
_diffrn_reflns_limit_h_min       -3
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -3
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         0.00
_diffrn_reflns_theta_max         27.44
_diffrn_reflns_reduction_process ?
_reflns_number_total             2031
_reflns_number_observed          1726
_reflns_observed_criterion       'Inet > 2.0\s(Inet)'
_refine_ls_structure_factor_coef F
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     'calc w=1/(\s^2^(F)+0.0003F^2^)'
_refine_ls_hydrogen_treatment    ?
_refine_ls_extinction_method     Larson
_refine_ls_extinction_coef       922(137)
_refine_ls_abs_structure_details ?
_refine_ls_abs_structure_Flack   -.016(83)
_refine_ls_number_reflns         880
_refine_ls_number_parameters     115
_refine_ls_number_restraints     ?
_refine_ls_number_constraints    ?
_refine_ls_R_factor_all          0.019
_refine_ls_R_factor_obs          0.019
_refine_ls_wR_factor_all         0.027
_refine_ls_wR_factor_obs         0.027
_refine_ls_goodness_of_fit_all   ?
_refine_ls_goodness_of_fit_obs   0.98
_refine_ls_restrained_S_all      ?
_refine_ls_restrained_S_obs      ?
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        ?
_refine_diff_density_max         0.53
_refine_diff_density_min         -0.39
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_type_symbol
Se1 0.35986(4) 0.00673(5) 0.13547 0.0263(5) Uani . . Se
Se2 0.49018(8) -0.15314(11) 0.00474(13) 0.0330(6) Uani . . Se
Ge1 0.50000 0.00000 0.20966(22) 0.0236(11) Uani . S Ge
Se3 0.50708(7) 0.15495(13) 0.26500(13) 0.0345(7) Uani . . Se
Ge2 0.50000 0.00000 0.06067(21) 0.0239(12) Uani . S Ge
N1 0.3919(4) 0.7259(4) 0.1332(7) 0.040(3) Uani . . N
N3 0.8493(4) 0.2061(5) 0.1356(7) 0.047(4) Uani . . N
N2 0.4430(5) 0.6242(4) 0.1372(6) 0.038(3) Uani . . N
N4 0.8055(5) 0.2306(6) 0.0772(5) 0.044(4) Uani . . N
H1 0.727(7) 0.269(7) 0.086(4) 0.07(3) Uiso . . H
H2 0.415(8) 0.581(8) 0.167(5) 0.09(3) Uiso . . H
H3 0.804(9) 0.154(9) 0.151(6) 0.16(5) Uiso . . H
H4 0.421(7) 0.587(7) 0.105(4) 0.07(3) Uiso . . H
H5 0.394(8) 0.753(7) 0.166(4) 0.08(4) Uiso . . H
H6 0.856(6) 0.274(7) 0.152(4) 0.07(3) Uiso . . H
H7 0.851(7) 0.272(8) 0.062(4) 0.07(3) Uiso . . H
H8 0.431(6) 0.760(5) 0.099(3) 0.054(22) Uiso . . H
H9 0.800(5) 0.177(6) 0.060(3) 0.040(22) Uiso . . H
H10 0.526(11) 0.646(11) 0.161(7) 0.18(7) Uiso . . H