Coordination Modes of Americium in the Am2(C2O4)3(H2O)6·4H2O Oxalate: Synthesis, Crystal Structure, Spectroscopic Characterizations and Comparison in the M2(C2O4)3(H2O)6·nH2O (M = Ln, An) Series.
Tamain, C.; Arab-Chapelet, B; Rivenet, M.; Legoff, X. F.; Loubert, G.; Grandjean, S.; Abraham, F.; Inorganic chemistry 55 (2016) 51–61; doi:10.1021/acs.inorgchem.5b01781

data_4346616
_publ_section_title
;
 Coordination Modes of Americium in the Am2(C2O4)3(H2O)6&#x00B7;4H2O
 Oxalate: Synthesis, Crystal Structure, Spectroscopic Characterizations
 and Comparison in the M2(C2O4)3(H2O)6&#x00B7;nH2O (M = Ln, An) Series.
;
_journal_issue                   1
_journal_name_full               'Inorganic chemistry'
_journal_page_first              51
_journal_page_last               61
_journal_paper_doi               10.1021/acs.inorgchem.5b01781
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C6 H12 Am2 O23'
_chemical_formula_weight         938.16
_chemical_name_common            'Am oxalate'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/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                90.00
_cell_angle_beta                 114.3080(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.1880(10)
_cell_length_b                   9.4890(10)
_cell_length_c                   10.2340(10)
_cell_measurement_reflns_used    3997
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      33.95
_cell_measurement_theta_min      2.93
_cell_volume                     990.15(17)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0285
_diffrn_reflns_av_sigmaI/netI    0.0351
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8223
_diffrn_reflns_theta_full        30.02
_diffrn_reflns_theta_max         30.02
_diffrn_reflns_theta_min         2.93
_exptl_absorpt_coefficient_mu    7.802
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'light orange'
_exptl_crystal_density_diffrn    3.147
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             844
_exptl_crystal_size_max          0.020
_exptl_crystal_size_mid          0.010
_exptl_crystal_size_min          0.005
_refine_diff_density_max         2.477
_refine_diff_density_min         -3.022
_refine_diff_density_rms         0.285
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     136
_refine_ls_number_reflns         2882
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0440
_refine_ls_R_factor_gt           0.0312
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0424P)^2^+4.4303P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0724
_refine_ls_wR_factor_ref         0.0793
_reflns_number_gt                2342
_reflns_number_total             2882
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b01781_si_003.cif
_cod_data_source_block           am_ox
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4346616