A mixed valence manganese triangle in a trigonal lattice: structure and magnetism.
Taleb, Nassiba; Richards, Victoria J.; Argent, Stephen P.; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Champness, Neil R.; Dalton transactions (Cambridge, England : 2003) 40 (2011) 5891–5894; doi:10.1039/c1dt10057b

data_7015762
_publ_section_title
;
 A mixed valence manganese triangle in a trigonal lattice: structure
 and magnetism.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5891
_journal_page_last               5894
_journal_paper_doi               10.1039/c1dt10057b
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         '(C93 H66 Mn3 O16), 2(C H4 O)'
_chemical_formula_sum            'C95 H74 Mn3 O18'
_chemical_formula_weight         1668.36
_chemical_name_systematic
;
?
;
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_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
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_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
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_computing_cell_refinement       'Bruker SAINT version 6.36A (Bruker, 2002)'
_computing_data_collection       'Bruker SMART version 5.625 (Bruker, 2001)'
_computing_data_reduction        'Bruker SAINT; SHELXTL (Sheldrick, 2008)'
_computing_molecular_graphics    ' ?'
_computing_publication_material
'enCIFer(Allen et al.,2004);PLATON(Spek,2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
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_diffrn_measurement_device_type  'Bruker SMART APEX CCD area detector'
_diffrn_measurement_method       \w
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_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.528
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_exptl_crystal_colour            BLACK
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
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;
;
_refine_diff_density_max         0.70
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.078P)^2^+29.82P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                4417
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_cod_data_source_file            c1dt10057b.txt
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_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_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        12259.3(17)
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               7015762