{Np<sub>38</sub>} clusters: the missing link in the largest poly-oxo cluster series of tetravalent actinides.
Martin, Nicolas P.; Volkringer, Christophe; Roussel, Pascal; März, Juliane; Hennig, Christoph; Loiseau, Thierry; Ikeda-Ohno, Atsushi; Chemical communications (Cambridge, England) 54 (2018) 10060–10063; doi:10.1039/c8cc03744b

data_7122224
_publ_section_title
;
 {Np<sub>38</sub>} clusters: the missing link in the largest poly-oxo
 cluster series of tetravalent actinides.
;
_journal_issue                   72
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              10060
_journal_page_last               10063
_journal_paper_doi               10.1039/c8cc03744b
_journal_volume                  54
_journal_year                    2018
_chemical_formula_sum            'C200 H184 Cl18 Np38 O112'
_chemical_formula_weight         14025.5
_space_group_IT_number           87
_space_group_name_Hall           '-I 4'
_space_group_name_H-M_alt        'I 4/m'
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_audit_update_record
;
2018-07-10 deposited with the CCDC.
2018-07-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   21.9347(10)
_cell_length_b                   21.9347(10)
_cell_length_c                   29.8559(14)
_cell_measurement_reflns_used    512
_cell_measurement_temperature    100
_cell_measurement_theta_max      26.37
_cell_measurement_theta_min      2.91
_cell_volume                     14364.6(11)
_diffrn_ambient_temperature      100
_diffrn_detector                 'CCD area detector'
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_measurement_specimen_support 'Mitegen loop'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0617
_diffrn_reflns_av_unetI/netI     0.0209
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            165896
_diffrn_reflns_theta_full        26.43
_diffrn_reflns_theta_max         26.43
_diffrn_reflns_theta_min         2.19
_diffrn_source                   'microfocus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    13.852
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6982
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs 2014/5'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    3.2427
_exptl_crystal_description       octahedral
_exptl_crystal_F_000             12240
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.041
_exptl_crystal_size_min          0.040
_refine_diff_density_max         9.88
_refine_diff_density_min         -3.38
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    4.43
_refine_ls_goodness_of_fit_ref   3.63
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_constraints    52
_refine_ls_number_parameters     193
_refine_ls_number_reflns         7528
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0985
_refine_ls_R_factor_gt           0.0697
_refine_ls_shift/su_max          0.0221
_refine_ls_shift/su_mean         0.0026
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0843
_refine_ls_wR_factor_ref         0.0876
_reflns_number_gt                4746
_reflns_number_total             7528
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            c8cc03744b2.cif
_cod_data_source_block           I_CCDC1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7122223--7122224.cif.
;
_cod_database_code               7122224