Host-Guest Supramolecular Interactions in the Coordination Compounds of 4,4'-Azobis(pyridine) with MnX2 (X = NCS-, NCNCN-, and PF6-): Structural Analyses and Theoretical Study
Paramita Kar; Rituparna Biswas; Michael G. B. Drew; Antonio Frontera; Ashutosh Ghosh; Inorganic Chemistry 51 (2012) 1837–1851; doi:10.1021/ic202129a

data_4328243
_publ_section_title
;
 Host-Guest Supramolecular Interactions in the Coordination Compounds of
 4,4'-Azobis(pyridine) with MnX2 (X = NCS-, NCNCN-, and PF6-): Structural
 Analyses and Theoretical Study
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1837
_journal_page_last               1851
_journal_paper_doi               10.1021/ic202129a
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C19 H12 Mn N12'
_chemical_formula_weight         463.34
_chemical_name_systematic
; 
 ? 
;
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_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
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_cell_angle_gamma                88.19(4)
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_cell_length_c                   12.905(5)
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_computing_data_collection       'Crysalis, Oxford Diffraction'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.957
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device       'Oxford Diffaction X-Calibur System'
_diffrn_measurement_method       '321 frames, counting time 10 s.'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_refine_ls_R_factor_gt           0.0725
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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;
_refine_ls_weighting_details 
  w=1/[\s^2^(Fo^2^)+(0.1207P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3 
;
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_cod_original_cell_volume        1062.7(8)
_cod_original_formula_sum        'C19 H12 Mn N12    '
_cod_database_code               4328243