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_7703010
_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            'Co3 F6 H4 N O8 P3'
_chemical_formula_weight         529.7
_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                 102.676(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.9678(9)
_cell_length_b                   7.4883(3)
_cell_length_c                   7.5679(3)
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_cell_measurement_temperature    293
_cell_measurement_theta_max      32.325
_cell_measurement_theta_min      4.5715
_cell_volume                     1104.01(8)
_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  0.0561
_diffrn_reflns_av_unetI/netI     0.0361
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            8828
_diffrn_reflns_theta_full        28.35
_diffrn_reflns_theta_max         28.35
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    5.018
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6347
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Bruker
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    3.1871
_exptl_crystal_description       transparent
_exptl_crystal_F_000             1020
_exptl_crystal_size_max          0.047
_exptl_crystal_size_mid          0.032
_exptl_crystal_size_min          0.012
_refine_diff_density_max         2.40
_refine_diff_density_min         -0.95
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.15
_refine_ls_goodness_of_fit_ref   1.15
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_constraints    8
_refine_ls_number_parameters     98
_refine_ls_number_reflns         1374
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0675
_refine_ls_R_factor_gt           0.0477
_refine_ls_shift/su_max          0.0432
_refine_ls_shift/su_mean         0.0146
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0025000002F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0685
_refine_ls_wR_factor_ref         0.0789
_reflns_number_gt                1043
_reflns_number_total             1374
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            c9dt03370j2.cif
_cod_data_source_block           (NH4)Co3(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.
;
_cod_original_formula_sum        'Co3 F6 H4 N1 O8 P3'
_cod_database_code               7703010