Crystal structure of poly[tetra-μ-cyanido-ethanol-bis(2-iodo-pyrazine)-digold(I)iron(II)].
Fei, Bin; Kucheriv, Olesia I.; Tokmenko, Inna I.; Terebilenko, Kateryna V.; Gural'skiy, Il'ya A.; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 1755–1758; doi:10.1107/S2056989017014785

data_2311485
_publ_section_title
;
 Crystal structure of
 poly[tetra-\m-cyanido-ethanol-bis(2-iodo-pyrazine)-digold(I)iron(II)].
;
_journal_coeditor_code           XU5907
_journal_issue                   'Pt 11'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1755
_journal_page_last               1758
_journal_paper_doi               10.1107/S2056989017014785
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Au2 Fe (C N)4 (C4 H3 I N2)2 (C2 H6 O)]'
_chemical_formula_moiety         'C14 H12 Au2 Fe I2 N8 O'
_chemical_formula_sum            'C14 H12 Au2 Fe I2 N8 O'
_chemical_formula_weight         1011.90
_chemical_name_systematic
;
Poly[tetra-\m-cyanido-ethanolbis(2-iodopyrazine)digold(I)iron(II)]
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_cell_angle_alpha                92.05(6)
_cell_angle_beta                 99.67(7)
_cell_angle_gamma                114.30(6)
_cell_formula_units_Z            2
_cell_length_a                   9.40(2)
_cell_length_b                   10.30(2)
_cell_length_c                   12.81(3)
_cell_measurement_reflns_used    5517
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.100
_cell_measurement_theta_min      2.401
_cell_volume                     1107(4)
_computing_cell_refinement
;
SAINT (Bruker, 2013)
;
_computing_data_collection
;
SMART (Bruker, 2013)
;
_computing_data_reduction
;
SAINT (Bruker, 2013)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg et al., 1999)
;
_computing_publication_material
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_refinement
;
SHELXL (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'Bruker SMART'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0967
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            5556
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.889
_diffrn_reflns_theta_min         1.624
_exptl_absorpt_coefficient_mu    16.698
_exptl_absorpt_correction_T_max  0.4563
_exptl_absorpt_correction_T_min  0.2977
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details
;
(Walker & Stuart, 1983)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.039
_exptl_crystal_description       needle
_exptl_crystal_F_000             900
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.260
_refine_diff_density_min         -2.279
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.923
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     257
_refine_ls_number_reflns         5556
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.923
_refine_ls_R_factor_all          0.0484
_refine_ls_R_factor_gt           0.0384
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0259P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0746
_refine_ls_wR_factor_ref         0.0773
_reflns_number_gt                4453
_reflns_number_total             5556
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            xu5907sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        1106(4)
_cod_database_code               2311485
_shelx_estimated_absorpt_t_min   0.135
_shelx_estimated_absorpt_t_max   0.634