Magnetic Coupling and Slow Relaxation of Magnetization in Chain-Based Mn(II), Co(II), and Ni(II) Coordination Frameworks.
Zhang, Jian-Yong; Wang, Kun; Li, Xiu-Bing; Gao, En-Qing; Inorganic chemistry 53 (2014) 9306–9314; doi:10.1021/ic5014279

data_4340844
_publ_section_title
;
 Magnetic Coupling and Slow Relaxation of Magnetization in Chain-Based
 Mn(II), Co(II), and Ni(II) Coordination Frameworks.
;
_journal_issue                   17
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9306
_journal_page_last               9314
_journal_paper_doi               10.1021/ic5014279
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C14 H16 Mn N4 O7'
_chemical_formula_weight         407.25
_chemical_name_systematic
; 
 ? 
;
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_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
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_cell_length_b                   13.692(3)
_cell_length_c                   18.208(4)
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_cell_measurement_temperature    296(2)
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_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_k_min       -16
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_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            4057
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_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.86
_exptl_absorpt_coefficient_mu    0.763
_exptl_absorpt_correction_T_max  0.874
_exptl_absorpt_correction_T_min  0.766
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.476
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       column
_exptl_crystal_F_000             836
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.719
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         1019
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0649
_refine_ls_R_factor_gt           0.0590
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0938P)^2^+7.0479P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1628
_refine_ls_wR_factor_ref         0.1678
_reflns_number_gt                911
_reflns_number_total             1019
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5014279_si_002.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4340843--4340844.cif.
;
_cod_original_cell_volume        1832.3(6)
_cod_original_sg_symbol_H-M      'Imma '
_cod_database_code               4340844