A reversible SCSC transformation from a blue metamagnetic framework to a pink antiferromagnetic ordering layer exhibiting concomitant solvatochromic and solvatomagnetic effects.
Liu, Zhong-Yi; Yang, En-Cui; Li, Li-Ly; Zhao, Xiao-Jun; Dalton transactions (Cambridge, England : 2003) 41 (2012) 6827–6832; doi:10.1039/c2dt30245d

data_7019138
_publ_section_title
;
 A reversible SCSC transformation from a blue metamagnetic framework to a
 pink antiferromagnetic ordering layer exhibiting concomitant
 solvatochromic and solvatomagnetic effects.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6827
_journal_page_last               6832
_journal_paper_doi               10.1039/c2dt30245d
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C10 H19.25 Co3 N5 O14.125 S'
_chemical_formula_weight         644.40
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 122.317(19)
_cell_angle_gamma                90.00
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_cell_length_b                   7.831(3)
_cell_length_c                   21.085(6)
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_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -9
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_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            9760
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_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.62
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.560
_exptl_absorpt_correction_T_max  0.7320
_exptl_absorpt_correction_T_min  0.7001
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    2.068
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1297
_exptl_crystal_size_max          0.15
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_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.759
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         3653
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0557
_refine_ls_R_factor_gt           0.0402
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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^)+(0.0599P)^2^+2.4221P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0989
_refine_ls_wR_factor_ref         0.1094
_reflns_number_gt                2942
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30245d.txt
_cod_data_source_block           n120322b
_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.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        2070.1(13)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7019138