Open frameworks in the Na<sub><i>x</i></sub>Mn<sub><i>y</i></sub>(P<sub>2</sub>O<sub>7</sub>)<sub><i>m</i></sub>F<sub><i>n</i></sub> fluoro-pyrophosphates system.
Li, Feifan; Li, Yaping; Duffort, Victor; Mentré, Olivier; Minaud, Claire; Huang, Qingqing; Cheng, Xiedong; Cui, Rui; Lü, Minfeng; Dalton transactions (Cambridge, England : 2003) 54 (2025) 2974–2984; doi:10.1039/d4dt03027c

data_7717812
_publ_section_title
;
 Open frameworks in the
 Na<sub><i>x</i></sub>Mn<sub><i>y</i></sub>(P<sub>2</sub>O<sub>7</sub>)<sub><i>m</i></sub>F<sub><i>n</i></sub>
 fluoro-pyrophosphates system.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2974
_journal_page_last               2984
_journal_paper_doi               10.1039/d4dt03027c
_journal_volume                  54
_journal_year                    2025
_chemical_formula_sum            'F2 Mn0.75 Na7 O14 P4'
_chemical_formula_weight         588
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_update_record
;
2024-09-25 deposited with the CCDC.	2025-01-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.4278(19)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.2740(4)
_cell_length_b                   5.76200(10)
_cell_length_c                   14.1406(4)
_cell_measurement_reflns_used    2259
_cell_measurement_temperature    293
_cell_measurement_theta_max      28.155
_cell_measurement_theta_min      3.3
_cell_volume                     1350.00(6)
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device       CCD
_diffrn_measurement_device_type  'Bruker Smart APEX II''
_diffrn_radiation_monochromator  graphite
_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  0.0397
_diffrn_reflns_av_unetI/netI     0.028
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10057
_diffrn_reflns_theta_full        28.3
_diffrn_reflns_theta_max         28.3
_diffrn_reflns_theta_min         2.46
_exptl_absorpt_coefficient_mu    1.563
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6882
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Bruker
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.8931
_exptl_crystal_description       transparent
_exptl_crystal_F_000             1143
_exptl_crystal_size_max          0.078
_exptl_crystal_size_mid          0.045
_exptl_crystal_size_min          0.039
_refine_diff_density_max         0.77
_refine_diff_density_min         -2.35
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    2.45
_refine_ls_goodness_of_fit_ref   2.70
_refine_ls_number_constraints    0
_refine_ls_number_parameters     129
_refine_ls_number_reflns         1689
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0685
_refine_ls_R_factor_gt           0.0542
_refine_ls_shift/su_max          0.0464
_refine_ls_shift/su_mean         0.0065
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0009F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0965
_refine_ls_wR_factor_ref         0.1196
_reflns_number_gt                1358
_reflns_number_total             1689
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            d4dt03027c2.cif
_cod_data_source_block           I_CCDC1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7717811--7717813.cif.
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_cod_database_code               7717812