A novel layered structure of the heterometallic oxalate compound [NH<sub>2</sub>(CH<sub>3</sub>)<sub>2</sub>]<sub>2</sub>[NaFe(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·0.33NH(CH<sub>3</sub>)<sub>2</sub>·0.33H<sub>2</sub>O: synthesis, crystal structure and thermal decomposition.
Kherfi, Hamza; Benhacine, Mohamed Al Amine; Hamadene, Malika; Acta crystallographica. Section C, Structural chemistry 80 (2024) –; doi:10.1107/S2053229624011185

data_2312695
_publ_section_title
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 A novel layered structure of the heterometallic oxalate compound
 [NH<sub>2</sub>(CH<sub>3</sub>)<sub>2</sub>]<sub>2</sub>[NaFe(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]&#xb7;0.33NH(CH<sub>3</sub>)<sub>2</sub>&#xb7;0.33H<sub>2</sub>O:
 synthesis, crystal structure and thermal decomposition.
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_journal_coeditor_code           EQ3016
_journal_issue                   12
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_paper_doi               10.1107/S2053229624011185
_journal_volume                  80
_journal_year                    2024
_chemical_formula_iupac          '(C2 H8 N)5 [Fe3 Na3 (C2 O4)9], C2 H7 N, H2 O'
_chemical_formula_moiety
'5(C2 H8 N +), C12 Fe2 Na2 O24 4-, C6 Fe Na O12 2-, C2 H7 N, H2 O'
_chemical_formula_sum            'C30 H49 Fe3 N6 Na3 O37'
_chemical_formula_weight         1322.27
_chemical_name_systematic
'Poly[[bis(dimethylammonium) tri-\m-oxalato-sodium(I)iron(III)]--dimethylamine--water (3/1/1)]'
_space_group_crystal_system      orthorhombic
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_space_group_name_Hall           'C 2c 2'
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SAINT (Bruker, 2012)
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APEX2 (Bruker, 2012)
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_computing_data_reduction
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SAINT (Bruker, 2012)
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ORTEP-3 for Windows (Farrugia, 2012) and
DIAMOND (Brandenburg & Putz, 2008)
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WinGX (Farrugia, 2012) and
OLEX2 (Dolomanov <i>et al.</i>, 2009)
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SHELXL2019 (Sheldrick, 2015<i>b</i>) and
olex2.refine (Bourhis <i>et al.</i>, 2015)
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SHELXT2014 (Sheldrick, 2015<i>a</i>)
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_exptl_absorpt_coefficient_mu    0.975
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(Krause <i>et al.</i>, 2015)
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Flack <i>x</i> determined using 2182 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons <i>et al.</i>,  2013)
;
_refine_ls_abs_structure_Flack   -0.009(15)
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         9420
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_refine_ls_restrained_S_all      0.962
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_refine_ls_R_factor_gt           0.0495
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0370P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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