Cross-linking of cyanide magnetic coordination polymers by rational insertion of formate, cyanide or azide.
Handzlik, Gabriela; Sieklucka, Barbara; Pinkowicz, Dawid; Dalton transactions (Cambridge, England : 2003) 47 (2018) 11888–11894; doi:10.1039/c8dt01513a

data_7046412
_publ_section_title
;
 Cross-linking of cyanide magnetic coordination polymers by rational
 insertion of formate, cyanide or azide.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11888
_journal_page_last               11894
_journal_paper_doi               10.1039/c8dt01513a
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C18 H2 Mn4 Mo2 N18 O14'
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_chemical_name_systematic        Mn2Moformate
_space_group_crystal_system      tetragonal
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_space_group_name_Hall           'I 4 -2c'
_space_group_name_H-M_alt        'I 4 c m'
_symmetry_space_group_name_Hall  'I 4 -2c'
_symmetry_space_group_name_H-M   'I 4 c m'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-04-08 deposited with the CCDC.
2018-05-21 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker D8QuestEco Photon50 CMOS'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_h_min       -15
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_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5759
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.956
_exptl_crystal_description       prism
_exptl_crystal_F_000             1064
_exptl_crystal_preparation       'Magnetic properties'
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.48(7)
_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0268
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0183P)^2^+3.4386P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0503
_refine_ls_wR_factor_ref         0.0518
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_reflns_number_gt                1071
_reflns_number_total             1150
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt01513a2.cif
_cod_data_source_block           MnMoform
_cod_depositor_comments
'Adding full bibliography for 7046412--7046415.cif.'
_cod_original_cell_volume        1878.14(14)
_cod_database_code               7046412
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.823
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_shelx_res_checksum              6267