{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_7122223
_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            'C60 H140 Cl42 Np38 O76'
_chemical_formula_weight         12574.6
_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                   19.5620(8)
_cell_length_b                   19.5620(8)
_cell_length_c                   29.3799(15)
_cell_measurement_reflns_used    4537
_cell_measurement_temperature    100
_cell_measurement_theta_max      30.458
_cell_measurement_theta_min      2.325
_cell_volume                     11242.9(9)
_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  0.0709
_diffrn_reflns_av_unetI/netI     0.0706
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            25716
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.33
_diffrn_source                   'microfocus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    17.937
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6055
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1025 before and 0.0589 after correction.
The Ratio of minimum to maximum transmission is 0.8116.
The \l/2 correction factor is 0.00150.
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    3.7145
_exptl_crystal_description       octahedral
_exptl_crystal_F_000             10712
_exptl_crystal_recrystallization_method 'Solvothermal synthesis'
_exptl_crystal_size_max          0.067
_exptl_crystal_size_mid          0.042
_exptl_crystal_size_min          0.041
_refine_diff_density_max         3.55
_refine_diff_density_min         -5.51
_refine_ls_extinction_coef       2750(180)
_refine_ls_extinction_method     'B-C type 2 (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_gt    1.48
_refine_ls_goodness_of_fit_ref   1.23
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_constraints    33
_refine_ls_number_parameters     202
_refine_ls_number_reflns         5862
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1084
_refine_ls_R_factor_gt           0.0410
_refine_ls_shift/su_max          0.0418
_refine_ls_shift/su_mean         0.0038
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0004I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0774
_refine_ls_wR_factor_ref         0.0910
_reflns_number_gt                3026
_reflns_number_total             5862
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            c8cc03744b2.cif
_cod_data_source_block           I
_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               7122223