data_1100972 _publ_requested_journal Inorg.Chem. loop_ _publ_author_name 'Mitzi, David' _chemical_name_systematic "'hydrazinium/hydrazine tin(IV) selenide'" _chemical_name_common 'hydrazinium/hydrazine tin(IV) selenide' _chemical_formula_moiety 'N14 H32 Sn2 Se6' _chemical_formula_sum 'N14 H32 Sn2 Se6' _chemical_formula_weight 939.53 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source N N 0.006 0.003 'International Tables Vol. IV Table 2.2B' H H 0.000 0.000 'International Tables Vol. IV Table 2.2B' Sn Sn -0.654 1.425 'International Tables Vol. IV Table 2.2B' Se Se -0.093 2.226 'International Tables Vol. IV Table 2.2B' _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' _symmetry_int_tables_number 2 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z _cell_length_a 6.6475(6) _cell_length_b 9.5474(9) _cell_length_c 9.883(1) _cell_angle_alpha 94.110(2) _cell_angle_beta 99.429(2) _cell_angle_gamma 104.141(2) _cell_volume 595.9(1) _cell_formula_units_Z 1 _cell_measurement_temperature 293 _cell_measurement_reflns_used 3504 _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_special_details ; ? #Insert any comments here. ; _exptl_crystal_description block _exptl_crystal_colour 'pale yellow' _exptl_crystal_size_max 0.46 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.11 _exptl_crystal_size_rad ? _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.618 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 432.70 _exptl_absorpt_coefficient_mu 11.28 _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_radiation_monochromator graphite _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 6514 _diffrn_reflns_av_R_equivalents 0.010 _diffrn_reflns_av_sigmaI/netI ? _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_l_min -12 _diffrn_reflns_limit_l_max 12 _diffrn_reflns_theta_min 0.00 _diffrn_reflns_theta_max 27.46 _reflns_number_total 2723 _reflns_number_observed 2342 _reflns_observed_criterion 'Inet > 2.5\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 173(56) _refine_ls_number_reflns 2342 _refine_ls_number_parameters 165 _refine_ls_R_factor_all 0.023 _refine_ls_R_factor_obs 0.023 _refine_ls_wR_factor_all 0.028 _refine_ls_wR_factor_obs 0.028 _refine_ls_goodness_of_fit_all ? _refine_ls_goodness_of_fit_obs 1.15 _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 0.58 _refine_diff_density_min -0.60 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 Sn1 0.30370(3) 0.38498(2) 0.37392(2) 0.0209(1) Uani . . Sn Se1 0.12852(6) 0.13609(4) 0.41146(4) 0.0281(2) Uani . . Se Se2 0.71084(5) 0.42867(4) 0.42639(4) 0.0268(2) Uani . . Se Se3 0.18900(7) 0.46138(4) 0.14742(4) 0.0329(2) Uani . . Se N1 0.2694(6) 0.8114(5) 0.8826(4) 0.0424(22) Uani . . N N3 0.5585(6) 0.0286(4) 0.3177(4) 0.0410(22) Uani . . N N5 0.0295(7) 0.7366(4) 0.3068(4) 0.0396(22) Uani . . N N2 0.4189(7) 0.7489(5) 0.9617(5) 0.0465(24) Uani . . N N4 0.4578(7) -0.1247(5) 0.2888(5) 0.0472(25) Uani . . N N7 0.1130(6) 0.0132(5) 0.0270(5) 0.0479(23) Uani . . N N6 -0.1343(9) 0.7272(5) 0.1910(5) 0.055(3) Uani . . N HN4b 0.486(8) -0.166(6) 0.214(6) 0.056(16) Uiso . . H HN7a 0.135(11) 0.041(8) 0.118(8) 0.10(3) Uiso . . H HN4a 0.504(8) -0.162(5) 0.348(5) 0.038(15) Uiso . . H HN1a 0.229(8) 0.884(6) 0.939(6) 0.060(16) Uiso . . H HN5a 0.162(8) 0.793(5) 0.298(5) 0.057(16) Uiso . . H HN5b -0.001(10) 0.782(6) 0.380(6) 0.077(19) Uiso . . H HN3a 0.684(8) 0.054(5) 0.369(5) 0.043(13) Uiso . . H HN3b 0.451(7) 0.059(5) 0.368(4) 0.043(13) Uiso . . H HN6a -0.107(10) 0.680(7) 0.125(7) 0.080(22) Uiso . . H HN1b 0.162(7) 0.740(5) 0.836(4) 0.034(12) Uiso . . H HN2a 0.470(9) 0.706(6) 0.911(6) 0.061(19) Uiso . . H HN1c 0.326(10) 0.862(7) 0.814(7) 0.085(21) Uiso . . H HN7b 0.167(12) 0.118(8) -0.001(8) 0.12(3) Uiso . . H HN5c 0.069(9) 0.653(7) 0.307(6) 0.074(19) Uiso . . H HN2b 0.340(10) 0.699(7) 1.006(7) 0.077(21) Uiso . . H HN6b -0.252(10) 0.664(7) 0.202(7) 0.080(23) Uiso . . H