Structural variation in cation-assisted assembly of high-nuclearity Mn arsonate and phosphonate wheels.
Chimamkpam, Theresa O.; Clérac, Rodolphe; Mitcov, Dmitri; Twamley, Brendan; Venkatesan, Munuswamy; Schmitt, Wolfgang; Dalton transactions (Cambridge, England : 2003) 45 (2016) 1349–1353; doi:10.1039/c5dt04820f

data_7037715
_publ_section_title
;
 Structural variation in cation-assisted assembly of high-nuclearity Mn
 arsonate and phosphonate wheels.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1349
_journal_page_last               1353
_journal_paper_doi               10.1039/c5dt04820f
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C88 H62 As10 K Mn8 N4 O52, Cl'
_chemical_formula_sum            'C88 H62 As10 Cl K Mn8 N4 O52'
_chemical_formula_weight         3270.68
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-09-29 deposited with the CCDC.
2015-12-21 downloaded from the CCDC.
;
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      59.23
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_cell_volume                     17636.4(10)
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_computing_structure_solution    'SHELXT-2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.258
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_type           CuK\a
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_exptl_crystal_colour            brown
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_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1017P)^2^+50.2795P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                8960
_reflns_number_total             13121
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7037715--7037716.cif.'
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