Auxiliary ligand-directed structural variation from 2D→3D polythreaded net to 3-fold interpenetrating 3D pillar-layered framework: Syntheses, crystal structures and magnetic properties.
Zhao, Jun; Li, Dong-Sheng; Ke, Xi-Jun; Liu, Bin; Zou, Kun; Hu, Huai-Ming; Dalton transactions (Cambridge, England : 2003) 41 (2012) 2560–2563; doi:10.1039/c2dt12170k

data_7018252
_publ_section_title
;
 Auxiliary ligand-directed structural variation from 2D\\rightarrow 3D
 polythreaded net to 3-fold interpenetrating 3D pillar-layered framework:
 Syntheses, crystal structures and magnetic properties.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2560
_journal_page_last               2563
_journal_paper_doi               10.1039/c2dt12170k
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C21 H14 Co N3 O9'
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_chemical_name_systematic
;
?
;
_space_group_IT_number           15
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 115.996(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.493(4)
_cell_length_b                   13.745(2)
_cell_length_c                   14.021(3)
_cell_measurement_temperature    298(2)
_cell_volume                     4069.5(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
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_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
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_exptl_absorpt_coefficient_mu    0.907
_exptl_absorpt_correction_T_max  0.812
_exptl_absorpt_correction_T_min  0.754
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.669
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2080
_exptl_crystal_size_max          0.35
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_exptl_crystal_size_min          0.23
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0407P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            c2dt12170k.txt
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        4069.7(12)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7018252