<i>catena</i>-Poly[[(5-ethyl-2-methylpyridine-<i>N</i>)copper(II)]-μ-(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>'')]
Warda, Salam A.; Acta Crystallographica Section C 53 (1997) 1184–1186; doi:10.1107/S0108270197005350

data_2006537
_publ_section_title
<i>catena</i>-Poly[[(5-ethyl-2-methylpyridine-<i>N</i>)copper(II)]-\m-(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>'')]
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1184
_journal_page_last               1186
_journal_paper_doi               10.1107/S0108270197005350
_journal_volume                  53
_journal_year                    1997
_chemical_formula_iupac          'Cu (C9 H7 N O3)(C8 H11 N)]n'
_chemical_formula_moiety         'Cu (C9 H7 N O3 )(C8 H11 N )]'
_chemical_formula_sum            'C17 H18 Cu N2 O3 n'
_chemical_formula_weight         361.87
_chemical_name_systematic
;
5-Ethyl-2-methylpyridine-(N-salicylideneglycinato)copper(II) Polymer
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 102.327(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.5225(8)
_cell_length_b                   6.9078(3)
_cell_length_c                   17.6194(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      46.7
_cell_measurement_theta_min      40.3
_cell_volume                     1607.90(15)
_computing_cell_refinement       'CAD4 EXPRESS'
_computing_data_collection       'CAD4 EXPRESS (Enraf Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms, 1996)'
_computing_molecular_graphics    'XP in SHELXTL (Siemens, 1996b)'
_computing_publication_material  SHELXL-96
_computing_structure_refinement
'SHELXL-96 Beta Test version 03 (Sheldrick, 1996)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Enraf Nonius CAD4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0892
_diffrn_reflns_av_sigmaI/netI    0.0197
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            2509
_diffrn_reflns_theta_max         59.98
_diffrn_reflns_theta_min         5.14
_diffrn_standards_decay_%        3
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.057
_exptl_absorpt_correction_T_max  0.8301
_exptl_absorpt_correction_T_min  0.6683
_exptl_absorpt_correction_type   'empirical with psi-scans (Siemens, 1996a)'
_exptl_crystal_colour            'Dark green'
_exptl_crystal_density_diffrn    1.495
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             748
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.379
_refine_diff_density_min         -0.499
_refine_ls_extinction_coef       0.0053(6)
_refine_ls_extinction_method     'SHELXL96 (Sheldrick, 1996)'
_refine_ls_goodness_of_fit_all   1.070
_refine_ls_goodness_of_fit_obs   1.091
_refine_ls_hydrogen_treatment    'H atoms riding'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     209
_refine_ls_number_reflns         2347
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.070
_refine_ls_restrained_S_obs      1.091
_refine_ls_R_factor_all          0.0394
_refine_ls_R_factor_gt           0.0367
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0577P)^2^+1.8469P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1051
_refine_ls_wR_factor_obs         .1042
_reflns_number_observed          2233
_reflns_number_total             2347
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            sk1101.cif
_cod_data_source_block           etmepy
_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 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        '[Cu (C17 H18 N2 O3)]n'
_cod_database_code               2006537