<i>catena</i>-poly[[[(2,2'-bipyridine-2κ^2^<i>N</i>,<i>N</i>')-μ-cyanido-1:2κ^2^<i>N</i>:<i>C</i>-cyanido-2κ<i>C</i>-tris(methanol-1κ<i>O</i>)(nitrato-1κ^2^<i>O</i>,<i>O</i>')iron(II)yttrium(III)]-di-μ-cyanido-1:2'κ^2^<i>N</i>:<i>C</i>;2:1'κ^2^<i>C</i>:<i>N</i>] methanol solvate hemihydrate]
Xu, Yan; Shu, He-Qing; Shen, Xiao-Ping; Acta Crystallographica Section E 66 (2010) m1034–m1035; doi:10.1107/S1600536810029843

data_2227012
_publ_section_title
;
 <i>catena</i>-poly[[[(2,2'-bipyridine-2\k^2^<i>N</i>,<i>N</i>')-\m-cyanido-1:2\k^2^<i>N</i>:<i>C</i>-cyanido-2\k<i>C</i>-tris(methanol-1\k<i>O</i>)(nitrato-1\k^2^<i>O</i>,<i>O</i>')iron(II)yttrium(III)]-di-\m-cyanido-1:2'\k^2^<i>N</i>:<i>C</i>;2:1'\k^2^<i>C</i>:<i>N</i>]
 methanol solvate hemihydrate]
;
_journal_coeditor_code           NC2192
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1034
_journal_page_last               m1035
_journal_paper_doi               10.1107/S1600536810029843
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac
'[Fe Y (C N)4 (N O3) (C10 H8 N2) (C H4 O)3], C H4 O, 0.5H2 O'
_chemical_formula_moiety         'C17 H20 Fe N7 O6 Y, C H4 O, 0.5(H2 O)'
_chemical_formula_sum            'C18 H25 Fe N7 O7.5 Y'
_chemical_formula_weight         604.21
_chemical_name_systematic
;
<i>catena</i>-poly[[[(2,2'-bipyridine-2\k^2^<i>N</i>,<i>N</i>')-\m-cyanido-
\k^2^1:2<i>N</i>:<i>C</i>-cyanido-2\k<i>C</i>-tris(methanol-
1\k<i>O</i>)(nitrato-1\k^2^<i>O</i>,<i>O</i>')iron(II)yttrium(III)]-
di-\m-cyanido-1:2'\k^2^<i>N</i>:<i>C</i>;2:1'\k^2^<i>C</i>:<i>N</i>] methanol
solvate hemihydrate]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.439(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.803(3)
_cell_length_b                   18.132(4)
_cell_length_c                   10.728(2)
_cell_measurement_reflns_used    838
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      23.51
_cell_measurement_theta_min      2.97
_cell_volume                     2422.2(9)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'SMART (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics
'SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0672
_diffrn_reflns_av_sigmaI/netI    0.0701
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            18891
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    3.037
_exptl_absorpt_correction_T_max  0.55
_exptl_absorpt_correction_T_min  0.46
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            'red brown'
_exptl_crystal_density_diffrn    1.657
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1228
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.488
_refine_diff_density_min         -0.567
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         4760
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0754
_refine_ls_R_factor_gt           0.0516
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0481P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1020
_refine_ls_wR_factor_ref         0.1068
_reflns_number_gt                3490
_reflns_number_total             4760
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            nc2192.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C18 H25 Fe N7 O7.50 Y'
_cod_database_code               2227012
_cod_database_fobs_code          2227012