Facile adaptation of 1D Mn(ii) chain motifs to form 3D azo-pyridine-based coordination polymers
Ako, Ayuk M.; Hawes, Chris S.; Twamley, Brendan; Schmitt, Wolfgang; CrystEngComm 19 (2017) 994–; doi:10.1039/C6CE02493A

data_7227438
_publ_section_title
;
 Facile adaptation of 1D Mn(ii) chain motifs to form 3D azo-pyridine-based
 coordination polymers
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              994
_journal_paper_doi               10.1039/C6CE02493A
_journal_volume                  19
_journal_year                    2017
_chemical_formula_moiety         'C24 H16 Ag2 Mn N12'
_chemical_formula_sum            'C24 H16 Ag2 Mn N12'
_chemical_formula_weight         743.17
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-09-18 deposited with the CCDC.
2017-01-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.5786(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
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_cell_length_b                   10.5450(5)
_cell_length_c                   14.0966(6)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.74
_cell_measurement_theta_min      2.51
_cell_volume                     1349.24(10)
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_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.258
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0091
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_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
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_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            21852
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.739
_diffrn_reflns_theta_min         2.420
_diffrn_source                   'sealed tube'
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_exptl_absorpt_correction_T_min  0.6976
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2014/5 (Bruker, 2014)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.829
_exptl_crystal_description       lozenge
_exptl_crystal_F_000             726
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_exptl_crystal_size_min          0.140
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_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     178
_refine_ls_number_reflns         3498
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0145
_refine_ls_R_factor_gt           0.0135
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0155P)^2^+0.8005P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0340
_refine_ls_wR_factor_ref         0.0344
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3361
_reflns_number_total             3498
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6ce02493a2.cif
_cod_data_source_block           tcd283
_cod_depositor_comments
'Adding full bibliography for 7227436--7227438.cif.'
_cod_database_code               7227438
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.613
_shelx_estimated_absorpt_t_max   0.773
_shelx_res_checksum              48901