A series of Rb<sub>4</sub>Ln<sub>2</sub>(P<sub>2</sub>S<sub>6</sub>)(PS<sub>4</sub>)<sub>2</sub> (Ln = La, Ce, Pr, Nd, Sm, Gd) rare earth thiophosphates with two distinct thiophosphate units [P<sup>V</sup>S<sub>4</sub>]<sup>3-</sup> and [P<sup>IV</sup><sub>2</sub>S<sub>6</sub>]<sup>4</sup>.
Kutahyali Aslani, Ceren; Breton, Logan S.; Klepov, Vladislav V.; Zur Loye, Hans-Conrad; Dalton transactions (Cambridge, England : 2003) 50 (2021) 1683–1689; doi:10.1039/d0dt03718d

data_7706351
_publ_section_title
;
 A series of
 Rb<sub>4</sub>Ln<sub>2</sub>(P<sub>2</sub>S<sub>6</sub>)(PS<sub>4</sub>)<sub>2</sub>
 (Ln = La, Ce, Pr, Nd, Sm, Gd) rare earth thiophosphates with two distinct
 thiophosphate units [P<sup>V</sup>S<sub>4</sub>]<sup>3-</sup> and
 [P<sup>IV</sup><sub>2</sub>S<sub>6</sub>]<sup>4</sup>.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1683
_journal_page_last               1689
_journal_paper_doi               10.1039/d0dt03718d
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         '0.5(P8 Pr4 Rb8 S28)'
_chemical_formula_sum            'P4 Pr2 Rb4 S14'
_chemical_formula_weight         1196.42
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_audit_creation_date             2020-01-18
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-10-26 deposited with the CCDC.	2021-01-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.0659(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.4631(2)
_cell_length_b                   6.83090(10)
_cell_length_c                   19.6643(4)
_cell_measurement_reflns_used    9651
_cell_measurement_temperature    302(2)
_cell_measurement_theta_max      35.70
_cell_measurement_theta_min      2.28
_cell_volume                     1258.55(4)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_temperature      301.92
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0444
_diffrn_reflns_av_unetI/netI     0.0145
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            72275
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.994
_diffrn_reflns_theta_min         2.541
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    12.918
_exptl_absorpt_correction_T_max  0.2740
_exptl_absorpt_correction_T_min  0.1729
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1298 before and 0.0651 after correction.
The Ratio of minimum to maximum transmission is 0.6310.
The \l/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    3.157
_exptl_crystal_description       plate
_exptl_crystal_F_000             1100
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.115
_refine_diff_density_min         -1.118
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     109
_refine_ls_number_reflns         3683
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0199
_refine_ls_R_factor_gt           0.0161
_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^)+(0.0148P)^2^+0.9306P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0348
_refine_ls_wR_factor_ref         0.0370
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3355
_reflns_number_total             3683
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt03718d2.cif
_cod_data_source_block           Pr
_cod_depositor_comments
'Adding full bibliography for 7706350--7706355.cif.'
_cod_database_code               7706351
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_max   0.782
_shelx_estimated_absorpt_t_min   0.511
_olex2_refinement_description
;
;
_shelx_res_checksum              37596
_olex2_submission_special_instructions 'No special instructions were received'