Crystal structures of tetramethylammonium (2,2'-bipyridine)tetracyanidoferrate(III) trihydrate and poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')di-μ~2~-cyanido-dicyanido(μ-ethylenediamine)(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)iron(II)] monohydrate]
Chanthee, Songwuit; Punyain, Wikorn; Namuangrak, Supawadee; Chainok, Kittipong; Acta Crystallographica Section E 72 (2016) 741–746; doi:10.1107/S2056989016006848

data_2241675
_publ_section_title
;
 Crystal structures of tetramethylammonium
 (2,2'-bipyridine)tetracyanidoferrate(III) trihydrate and
 poly[[(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')di-\m~2~-cyanido-dicyanido(\m-ethylenediamine)(ethylenediamine-\k^2^<i>N</i>,<i>N</i>')cadmium(II)iron(II)]
 monohydrate]
;
_journal_coeditor_code           BG2584
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              741
_journal_page_last               746
_journal_paper_doi               10.1107/S2056989016006848
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac
'[Cd Fe (C N)4 (C10 H8 N2) (C2 H8 N2)2], H2 O'
_chemical_formula_moiety         'C18 H24 Cd1 Fe1 N10, H2 O'
_chemical_formula_sum            'C18 H26 Cd Fe N10 O'
_chemical_formula_weight         566.74
_chemical_name_systematic
;Poly[[(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')di-\m~2~-cyanido-dicyanido(\m-ethylenediamine)(ethylenediamine-\k^2^<i>N</i>,<i>N</i>')cadmium(II)iron(II)]
monohydrate]
;
_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   mixed
_atom_sites_solution_primary     direct
_audit_creation_method
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_cell_angle_alpha                90
_cell_angle_beta                 109.143(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.4184(14)
_cell_length_b                   28.534(5)
_cell_length_c                   11.094(2)
_cell_measurement_reflns_used    9748
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      30.326
_cell_measurement_theta_min      2.993
_cell_volume                     2218.5(7)
_computing_cell_refinement
;
SAINT (Bruker, 2014)
;
_computing_data_collection
;
APEX2 (Bruker, 2014)
;
_computing_data_reduction
;
SAINT (Bruker, 2014)
;
_computing_molecular_graphics
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_publication_material
;
publCIF (Westrip, 2010) and enCIFer (Allen <i>et al.</i>,  2004)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 10.5
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'four-circle KAPPA diffractometer'
_diffrn_measurement_device_type  'Bruker APEXII D8 QUEST CMOS'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'graphiteDouble Bounce Multilayer Mirror'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0380
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            51158
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.280
_diffrn_reflns_theta_min         2.993
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.645
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6327
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2014)
;
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.697
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1144
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.473
_refine_diff_density_min         -0.467
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     146
_refine_ls_number_reflns         2757
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0249
_refine_ls_R_factor_gt           0.0195
_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^)+(0.0207P)^2^+2.0817P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0441
_refine_ls_wR_factor_ref         0.0463
_reflns_number_gt                2478
_reflns_number_total             2757
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            bg2584sup1.cif
_cod_data_source_block           II
_cod_original_cell_volume        2218.3(7)
_cod_database_code               2241675
_cod_database_fobs_code 2241675