Open-framework ammonium transition metal fluorophosphates with a Kagomé lattice network: synthesis, structure and magnetic properties.
Jiang, Jianhua; Zhu, Bei; Zhu, Tianyu; Yang, Haoming; Jin, Yong; Lü, Minfeng; Dalton transactions (Cambridge, England : 2003) 49 (2020) 841–849; doi:10.1039/c9dt03370j

data_7703009
_publ_section_title
;
 Open-framework ammonium transition metal fluorophosphates with a Kagom\'e
 lattice network: synthesis, structure and magnetic properties.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              841
_journal_page_last               849
_journal_paper_doi               10.1039/c9dt03370j
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'F6 H4 Mn3 N O8 P3'
_chemical_formula_weight         517.8
_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
;
2019-08-18 deposited with the CCDC.	2019-12-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.589(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.3151(6)
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_cell_length_c                   7.8312(2)
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_cell_measurement_temperature    293
_cell_measurement_theta_max      30.72
_cell_measurement_theta_min      2.857
_cell_volume                     1181.16(6)
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.89
_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  0.0825
_diffrn_reflns_av_unetI/netI     0.0875
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            9962
_diffrn_reflns_theta_full        30.28
_diffrn_reflns_theta_max         33.77
_diffrn_reflns_theta_min         2.86
_exptl_absorpt_coefficient_mu    3.685
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6734
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Bruker
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    2.9116
_exptl_crystal_description       transparent
_exptl_crystal_F_000             996
_exptl_crystal_size_max          0.027
_exptl_crystal_size_mid          0.012
_exptl_crystal_size_min          0.010
_refine_diff_density_max         0.89
_refine_diff_density_min         -0.72
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.24
_refine_ls_goodness_of_fit_ref   1.08
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_constraints    8
_refine_ls_number_parameters     98
_refine_ls_number_reflns         2114
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0963
_refine_ls_R_factor_gt           0.0396
_refine_ls_shift/su_max          0.0200
_refine_ls_shift/su_mean         0.0046
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0329
_refine_ls_wR_factor_ref         0.0389
_reflns_number_gt                1176
_reflns_number_total             2114
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            c9dt03370j2.cif
_cod_data_source_block           (NH4)Mn3(PO3F)2(PO2F2)2F2
_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 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7703009--7703010.cif.
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_cod_original_formula_sum        'F6 H4 Mn3 N1 O8 P3'
_cod_database_code               7703009