A family of tri- and dimetallic pyridine dicarboxamide cryptates: unusual o,n,o-coordination and facile access to secondary coordination sphere hydrogen bonding interactions.
Guillet, Gary L.; Gordon, Jesse B.; Di Francesco, Gianna N.; Calkins, Matthew W.; Čižmár, Erik; Abboud, Khalil A.; Meisel, Mark W.; García-Serres, Ricardo; Murray, Leslie J.; Inorganic chemistry 54 (2015) 2691–2704; doi:10.1021/ic502873d

data_4342508
_publ_section_title
;
 A family of tri- and dimetallic pyridine dicarboxamide cryptates: unusual
 o,n,o-coordination and facile access to secondary coordination sphere
 hydrogen bonding interactions.
;
_journal_issue                   6
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2691
_journal_page_last               2704
_journal_paper_doi               10.1021/ic502873d
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C122 H151 Cl2 F6 Fe2 N9 O23 S2'
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_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2014-08-28 # Formatted by publCIF

;
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_computing_cell_refinement       'Bruker APEX2'
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_diffrn_ambient_temperature      100(2)
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_diffrn_radiation_type           CuK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.973
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'based on measured indexed crystal faces, Bruker SHELXTL  v6.14 (Bruker 2008)'
_exptl_crystal_colour            red
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         22220
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_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0813P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1347
_refine_ls_wR_factor_ref         0.1462
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12486
_reflns_number_total             22220
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           gui35
_cod_depositor_comments
'Adding full bibliography for 4342504--4342510.cif.'
_cod_original_cell_volume        6276.3(3)
_cod_database_code               4342508
_shelx_estimated_absorpt_t_min   0.601
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_shelxl_version_number           2013-3
_shelx_res_checksum              86248
_shelx_hkl_checksum              59394