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_7709249
_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         'Mo2 O19 P4 Rb6'
_chemical_formula_sum            'Mo2 O19 P4 Rb6'
_chemical_formula_weight         1132.58
_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'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2021-09-17
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.775(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.4134(6)
_cell_length_b                   7.3910(5)
_cell_length_c                   13.9812(9)
_cell_measurement_reflns_used    3007
_cell_measurement_temperature    300.0
_cell_measurement_theta_max      27.41
_cell_measurement_theta_min      2.91
_cell_volume                     1075.97(12)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      300.0
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0645
_diffrn_reflns_av_unetI/netI     0.0635
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            8054
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.96
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    15.030
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5635
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1210 before and 0.0707 after correction.
The Ratio of minimum to maximum transmission is 0.7558.
The \l/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    3.496
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1036
_exptl_crystal_size_max          0.184
_exptl_crystal_size_mid          0.122
_exptl_crystal_size_min          0.078
_refine_diff_density_max         0.939
_refine_diff_density_min         -1.060
_refine_diff_density_rms         0.210
_refine_ls_extinction_coef       0.0018(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_matrix_type           full
_refine_ls_number_parameters     143
_refine_ls_number_reflns         2458
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0396
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0308P)^2^+0.7024P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0829
_refine_ls_wR_factor_ref         0.0914
_reflns_number_gt                1826
_reflns_number_total             2458
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d1dt03756k4.cif
_cod_data_source_block           rmo_a
_cod_depositor_comments
'Adding full bibliography for 7709247--7709250.cif.'
_cod_database_code               7709249
_olex2_refinement_description
;
1. Uiso/Uaniso restraints and constraints
Uanis(O7) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
;
_olex2_submission_special_instructions 'No special instructions were received'