Crystal structure of (μ-4,4'-bipyridine-N,N')bis(N,N'-ethylene- bis(salicylaldiminato))dizinc(II) methanol disolvate, Zn~2~(C~10~H~8~N~2~) (C~16~H~14~N~2~O~2~)~2~ · 2CH~3~OH
Feng, X.; Wang, Y.-F.; Wang, L.-Y.; Zeitschrift für Kristallographie - New Crystal Structures 221 (2006) 460–462; doi:

data_8102048
_publ_section_title
;
Crystal structure of (\m-4,4'-bipyridine-N,N')bis(N,N'-ethylene-
bis(salicylaldiminato))dizinc(II) methanol disolvate, Zn~2~(C~10~H~8~N~2~)
(C~16~H~14~N~2~O~2~)~2~ &#x00B7; 2CH~3~OH
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              460
_journal_page_last               462
_journal_volume                  221
_journal_year                    2006
_chemical_formula_structural     '[Zn~2~(sal-en)~2~(C10H8N2)] &#x00B7; MeOH'
_chemical_formula_sum            'C44 H44 N6 O6 Zn2'
_chemical_formula_weight         883.59
_chemical_name_systematic
;
(\m-4,4'-bipyridine-N,N')bis(N,N'-ethylene-bis(salicylaldiminato))dizinc(II) 
methanol solvate
;
_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                 92.272(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.9542(14)
_cell_length_b                   21.265(3)
_cell_length_c                   21.770(3)
_cell_measurement_reflns_used    6014
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      23.76
_cell_measurement_theta_min      2.47
_cell_volume                     4142.0(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       phi/omega
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0579
_diffrn_reflns_av_sigmaI/netI    0.0786
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            23974
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.47
_exptl_absorpt_coefficient_mu    1.214
_exptl_absorpt_correction_T_max  0.8157
_exptl_absorpt_correction_T_min  0.7085
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.417
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1832
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.958
_refine_diff_density_min         -0.640
_refine_diff_density_rms         0.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     530
_refine_ls_number_reflns         9424
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.1146
_refine_ls_R_factor_gt           0.0785
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1161P)^2^+12.0447P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2375
_refine_ls_wR_factor_ref         0.2562
_reflns_number_gt                6093
_reflns_number_total             9424
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1877.cff
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        4142.0(11)
_cod_original_sg_symbol_H-M      P12(1)/c1
_cod_database_code               8102048