Ethylenediammonium decafluorodineptunate(IV)
Sullens, Tyler A.; Almond, Philip M.; Albrecht-Schmitt, T. E.; Acta Crystallographica Section E 60 (2004) m973–m975; doi:10.1107/S1600536804014217

data_2203883
_publ_section_title
;
 Ethylenediammonium decafluorodineptunate(IV)
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m973
_journal_page_last               m975
_journal_paper_doi               10.1107/S1600536804014217
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '(C2 H10 N2) [Np2 F10]'
_chemical_formula_moiety         'F10 Np2, C2 H10 N2'
_chemical_formula_sum            'C2 H10 F10 N2 Np2'
_chemical_formula_weight         726.12
_chemical_name_common
'ethylene diammonium dineptunium decafluoride'
_chemical_name_systematic        ?
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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
_cell_angle_beta                 91.5360(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.0190(11)
_cell_length_b                   7.0570(5)
_cell_length_c                   8.7203(6)
_cell_measurement_reflns_used    4826
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      28.27
_cell_measurement_theta_min      3.15
_cell_volume                     985.44(12)
_computing_cell_refinement       'SMART and SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXP97 in SHELXTL97'
_computing_publication_material  'SHELXCIF97 in in SHELXTL97'
_computing_structure_refinement  'SHELXL97 in SHELXTL97'
_computing_structure_solution    'SHELXS97 in SHELXTL97 (Sheldrick, 2000)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX'
_diffrn_measurement_method       '0.3 \w exposures'
_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  0.0216
_diffrn_reflns_av_sigmaI/netI    0.0188
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            4826
_diffrn_reflns_theta_full        28.27
_diffrn_reflns_theta_max         28.27
_diffrn_reflns_theta_min         3.15
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    21.101
_exptl_absorpt_correction_T_max  0.3710
_exptl_absorpt_correction_T_min  0.1256
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
SHELXPREP97 in SHELXTL97 (Sheldrick, 2000) and SADABS (Sheldrick, 1997)
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    4.894
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       prism
_exptl_crystal_F_000             1248
_exptl_crystal_size_max          0.108
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.843
_refine_diff_density_min         -0.741
_refine_ls_extinction_coef       0.00049(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXTL97
_refine_ls_goodness_of_fit_ref   1.151
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     74
_refine_ls_number_reflns         1224
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.151
_refine_ls_R_factor_all          0.0157
_refine_ls_R_factor_gt           0.0144
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0131P)^2^+2.3052P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0327
_refine_ls_wR_factor_ref         0.0331
_reflns_number_gt                1185
_reflns_number_total             1224
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cv6331.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     -c_2yc
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2203883