Proton motion inside [(DMF)<sub>2</sub>H]<sub>2</sub>[W<sub>6</sub>Cl<sub>14</sub>]: structural, Raman and luminescence studies.
Kolesov, Boris A.; Chupina, Anastasia V.; Berezin, Alexey S.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.; Physical chemistry chemical physics : PCCP 22 (2020) 25344–25352; doi:10.1039/d0cp04152a

data_7241382
_publ_section_title
;
 Proton motion inside
 [(DMF)<sub>2</sub>H]<sub>2</sub>[W<sub>6</sub>Cl<sub>14</sub>]:
 structural, Raman and luminescence studies.
;
_journal_issue                   43
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              25344
_journal_page_last               25352
_journal_paper_doi               10.1039/d0cp04152a
_journal_volume                  22
_journal_year                    2020
_chemical_formula_sum            'C12 H30 Cl14 N4 O4 W6'
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_space_group_name_Hall           '-P 2yn'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2020-07-30 deposited with the CCDC.	2020-10-07 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_cell_measurement_temperature    298(2)
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_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       13
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_diffrn_source                   'sealed X-ray tube'
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_exptl_absorpt_process_details   'SADABS (Bruker-AXS, 2004)'
_exptl_crystal_colour            yellow
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_exptl_crystal_description       prism
_exptl_crystal_F_000             1688
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         4274
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0431
_refine_ls_R_factor_gt           0.0299
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0188P)^2^+1.3999P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0577
_refine_ls_wR_factor_ref         0.0618
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_reflns_number_gt                3358
_reflns_number_total             4274
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            d0cp04152a2.cif
_cod_data_source_block           298
_cod_depositor_comments
'Adding full bibliography for 7241380--7241382.cif.'
_cod_original_cell_volume        1970.3(11)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7241382
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.236
_shelx_estimated_absorpt_t_max   0.260
_shelx_res_checksum              19350