Manganese clusters of aromatic oximes: synthesis, structure and magnetic properties.
Chen, Zilu; Hu, Zhaobo; Li, Yisheng; Liang, Yuning; Wang, Xinyu; Ouyang, Li; Zhao, Qin; Cheng, Haiyan; Liang, Fupei; Dalton transactions (Cambridge, England : 2003) 45 (2016) 15634–15643; doi:10.1039/c6dt03207a

data_7040559
_publ_section_title
;
 Manganese clusters of aromatic oximes: synthesis, structure and magnetic
 properties.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15634
_journal_page_last               15643
_journal_paper_doi               10.1039/c6dt03207a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C30 H25 Cl Mn3 N7 O14, 2(C3 H7 N O), C H4 O'
_chemical_formula_sum            'C37 H43 Cl Mn3 N9 O17'
_chemical_formula_weight         1086.07
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           169
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_symmetry_space_group_name_Hall  'P 61'
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_audit_update_record
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2016-08-08 deposited with the CCDC.
2016-09-02 downloaded from the CCDC.
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_cell_angle_alpha                90.00
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_cell_formula_units_Z            6
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
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_computing_data_collection
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
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_computing_data_reduction
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
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_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
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_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       24
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CrysAlisPro, Agilent Technologies,
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Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            'black brown'
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_exptl_crystal_description       block
_exptl_crystal_F_000             3336
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_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.374
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_refine_ls_number_reflns         8404
_refine_ls_number_restraints     56
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0785
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0479P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1159
_refine_ls_wR_factor_ref         0.1306
_reflns_number_gt                5887
_reflns_number_total             8404
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt03207a2.cif
_cod_data_source_block           0413-czl-yjh-m314346
_cod_depositor_comments
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The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7040559--7040563.cif.

 Adding full bibliography for 7040559--7040563.cif.
;
_cod_original_cell_volume        7123.4(3)
_cod_database_code               7040559