A<sub>6</sub>Mo<sub>2</sub>P<sub>4</sub>O<sub>19</sub> (A = Rb, Cs) and Rb<sub>2</sub>MoP<sub>2</sub>O<sub>9</sub>: new molybdophosphates with distinct polyanionic configurations.
Abudoureheman, Maierhaba; Zheng, Juanjuan; Wang, Peng; Wei, Bo; Guo, Zhiyong; Chen, Zhaohui; Chen, Yanna; Dalton transactions (Cambridge, England : 2003) 51 (2022) 1481–1488; doi:10.1039/d1dt03756k

data_7709248
_publ_section_title
;
 A<sub>6</sub>Mo<sub>2</sub>P<sub>4</sub>O<sub>19</sub> (A = Rb, Cs) and
 Rb<sub>2</sub>MoP<sub>2</sub>O<sub>9</sub>: new molybdophosphates with
 distinct polyanionic configurations.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1481
_journal_page_last               1488
_journal_paper_doi               10.1039/d1dt03756k
_journal_volume                  51
_journal_year                    2022
_chemical_formula_moiety         '0.5(Cs12 Mo4 O38 P8)'
_chemical_formula_sum            'Cs6 Mo2 O19 P4'
_chemical_formula_weight         1417.22
_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_date             2020-09-27
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_cell_angle_alpha                90
_cell_angle_beta                 90.06(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.6912(5)
_cell_length_b                   7.7144(3)
_cell_length_c                   14.5582(6)
_cell_measurement_reflns_used    4581
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.43
_cell_measurement_theta_min      2.80
_cell_volume                     1200.70(9)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0444
_diffrn_reflns_av_unetI/netI     0.0279
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            19005
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.491
_diffrn_reflns_theta_min         1.905
_exptl_absorpt_coefficient_mu    10.350
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5480
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1119 before and 0.0462 after correction.
The Ratio of minimum to maximum transmission is 0.7350.
The \l/2 correction factor is 0.00150.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.920
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1252
_exptl_crystal_size_max          0.114
_exptl_crystal_size_mid          0.086
_exptl_crystal_size_min          0.083
_refine_diff_density_max         0.884
_refine_diff_density_min         -0.789
_refine_diff_density_rms         0.156
_refine_ls_extinction_coef       0.00057(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.128
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     143
_refine_ls_number_reflns         2742
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.128
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0231
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0162P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0447
_refine_ls_wR_factor_ref         0.0465
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2325
_reflns_number_total             2742
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt03756k2.cif
_cod_data_source_block           csmopo
_cod_depositor_comments
'Adding full bibliography for 7709247--7709250.cif.'
_cod_database_code               7709248
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_max   0.7456
_shelx_estimated_absorpt_t_min   0.5480
_olex2_refinement_description
;
;
_shelx_res_checksum              98870
_shelx_hkl_checksum              83602
_olex2_submission_special_instructions 'No special instructions were received'