Interlayer hydrogen bonding directed magnetic properties for a different number of water-intercalated structural heterometallic phosphates based on paddlewheel units Ru<sub>2</sub>(PO<sub>4</sub>)<sub>4</sub><sup>6</sup>.
Xue, Xiang-Xian; Ding, Tuo; Zhang, Pei; Yang, Jian-Hui; Liu, Bin; Dalton transactions (Cambridge, England : 2003) 50 (2021) 8364–8371; doi:10.1039/d1dt00896j

data_7707371
_publ_section_title
;
 Interlayer hydrogen bonding directed magnetic properties for a different
 number of water-intercalated structural heterometallic phosphates based
 on paddlewheel units
 Ru<sub>2</sub>(PO<sub>4</sub>)<sub>4</sub><sup>6</sup>.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8364
_journal_page_last               8371
_journal_paper_doi               10.1039/d1dt00896j
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'H24 Mn3 O28 P4 Ru2\"i1/4OE4(H2 O)'
_chemical_formula_sum            'H32 Mn3 O32 P4 Ru2'
_chemical_formula_weight         1035.09
_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_hydrogens   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-05-07 deposited with the CCDC.	2021-05-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 111.735(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
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_cell_length_c                   19.421(4)
_cell_measurement_reflns_used    5012
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.278
_cell_measurement_theta_min      2.345
_cell_volume                     1356.4(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0357
_diffrn_reflns_av_unetI/netI     0.0395
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.987
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_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            6417
_diffrn_reflns_point_group_measured_fraction_full 0.987
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_diffrn_reflns_theta_full        25.100
_diffrn_reflns_theta_max         25.100
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.120
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_refine_diff_density_min         -0.900
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_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)'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0853P)^2^+4.6723P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1226
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_reflns_number_gt                2264
_reflns_number_total             2378
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           p21n
_cod_depositor_comments
'Adding full bibliography for 7707370--7707371.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7707371
_shelx_shelxl_version_number     2018/3
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_shelx_hkl_checksum              83461