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_4346615
_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 O22 Pu2'
_chemical_formula_weight         908.16
_chemical_name_common            'Pu oxalate'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 114.327(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.2140(9)
_cell_length_b                   9.6052(9)
_cell_length_c                   10.2868(9)
_cell_measurement_reflns_used    7791
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      37.86
_cell_measurement_theta_min      3.10
_cell_volume                     1009.64(15)
_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      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.921
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0400
_diffrn_reflns_av_unetI/netI     0.0401
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.921
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            16537
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.921
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         37.985
_diffrn_reflns_theta_min         1.993
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    6.575
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    3.027
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             824
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_refine_diff_density_max         2.812
_refine_diff_density_min         -1.656
_refine_diff_density_rms         0.334
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     154
_refine_ls_number_reflns         5062
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0358
_refine_ls_R_factor_gt           0.0252
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0368P)^2^+0.4910P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0603
_refine_ls_wR_factor_ref         0.0764
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4208
_reflns_number_total             5062
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic5b01781_si_002.cif
_cod_data_source_block           CT-oxalat-Pu
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4346615
_shelxl_version_number           2013-2
_shelx_res_checksum              79181
_shelx_hkl_checksum              16521