Effect of pH on the charge-assisted hydrogen-bonded assembly of the anionic [Cu(oxalate)~2~]^2{-^} building unit and <i>N</i>,<i>N</i>'-ditopic cations
Klongdee, Fatima; Boonmak, Jaursup; Youngme, Sujittra; Acta Crystallographica Section C 74 (2018) –; doi:10.1107/S2053229618002024

data_2021002
_publ_section_title
;
 Effect of pH on the charge-assisted hydrogen-bonded assembly of the
 anionic [Cu(oxalate)~2~]^2{-^} building unit and
 <i>N</i>,<i>N</i>'-ditopic cations
;
_journal_coeditor_code           KU3215
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_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229618002024
_journal_volume                  74
_journal_year                    2018
_chemical_formula_iupac          '(C9 H15 N3) [Cu (C2 O4)2]'
_chemical_formula_moiety         'C9 H15 N3 +, C4 Cu O8 -'
_chemical_formula_sum            'C13 H15 Cu N3 O8'
_chemical_formula_weight         404.82
_chemical_name_common
;<i>catena</i>-Poly[4-(pyridin-1-ium-4-yl)piperazin-1-ium
[[(oxalato-\k^2^<i>O</i>^1^,<i>O</i>^2^)copper(II)]-\m-oxalato-\k^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^]]
;
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
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;
SAINT (Bruker, 2013)
;
_computing_data_collection
;
APEX2 (Bruker, 2013)
;
_computing_data_reduction
;
SAINT (Bruker, 2013)
;
_computing_molecular_graphics
;
SHELXL (Sheldrick, 2008)
;
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SHELXL (Sheldrick, 2008)
;
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;
SHELXL2014 (Sheldrick, 2015)
;
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SHELXS97 (Sheldrick, 2008)
;
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;
Bruker D8 QUEST PHOTON 100
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_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
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_diffrn_standards_decay_%        0
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_exptl_absorpt_process_details
;
(SADABS; Bruker, 2015)
;
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0908
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0437P)^2^+0.8867P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0863
_refine_ls_wR_factor_ref         0.0993
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ku3215sup1.cif
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_cod_database_fobs_code 2021002