Synthesis of anionic alkaline earth metal methanesulfonates bearing photo-responsive methylviologen.
Chauhan, Aishwarya; Chauhan, Priyanka; Shankar, Ravi; Dalton transactions (Cambridge, England : 2003) 53 (2024) 17014–17020; doi:10.1039/d4dt02229g

data_7717070
_publ_section_title
;
 Synthesis of anionic alkaline earth metal methanesulfonates bearing
 photo-responsive methylviologen.
;
_journal_issue                   41
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17014
_journal_page_last               17020
_journal_paper_doi               10.1039/d4dt02229g
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'C9 H24 Mg N O13 S3'
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_space_group_name_Hall           '-P 1'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2024-05-25 deposited with the CCDC.	2024-09-12 downloaded from the CCDC.
;
_cell_angle_alpha                96.331(2)
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_cell_measurement_theta_min      2.31
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_computing_cell_refinement       'Bruker SAINT'
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_computing_publication_material  'Bruker SHELXTL'
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_exptl_absorpt_correction_T_min  0.6873
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
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_exptl_crystal_description       block
_exptl_crystal_F_000             498
_exptl_crystal_size_max          0.078
_exptl_crystal_size_mid          0.075
_exptl_crystal_size_min          0.071
_refine_diff_density_max         1.103
_refine_diff_density_min         -0.963
_refine_diff_density_rms         0.226
_refine_ls_extinction_coef       0.068(6)
_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)'
_refine_ls_goodness_of_fit_ref   1.568
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     281
_refine_ls_number_reflns         4827
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.568
_refine_ls_R_factor_all          0.0579
_refine_ls_R_factor_gt           0.0563
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0809P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1423
_refine_ls_wR_factor_ref         0.1439
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4531
_reflns_number_total             4827
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt02229g2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' 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 7717069--7717072.cif.
;
_cod_database_code               7717070
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              83450