Crystal structure of poly[{μ~3~-(<i>E</i>)-3-[3-(carboxylatomethoxy)phenyl]acrylato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>'''}[μ~2~-3-(pyridin-4-yl)-1<i>H</i>-pyrazole-κ^2^<i>N</i>:<i>N</i>']cobalt(II)]
Zhao, Can; Li, Xiao-Zong; Kang, Hong-Lan; Wen, Yi-Hang; Acta Crystallographica Section E 72 (2016) 1425–1428; doi:10.1107/S205698901601402X

data_2241843
_publ_section_title
;
 Crystal structure of
 poly[{\m~3~-(<i>E</i>)-3-[3-(carboxylatomethoxy)phenyl]acrylato-\k^3^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>'''}[\m~2~-3-(pyridin-4-yl)-1<i>H</i>-pyrazole-\k^2^<i>N</i>:<i>N</i>']cobalt(II)]
;
_journal_coeditor_code           PK2590
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1425
_journal_page_last               1428
_journal_paper_doi               10.1107/S205698901601402X
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac          '[Co (C11 H8 O5) (C8 H7 N3)]'
_chemical_formula_moiety         'C19 H15 Co N3 O5'
_chemical_formula_sum            'C19 H15 Co N3 O5'
_chemical_formula_weight         424.27
_chemical_name_systematic
Poly[{\m~3~-(<i>E</i>)-3-[3-(carboxylatomethoxy)phenyl]acrylato-\k^3^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>'''}[\m~2~-3-(pyridin-4-yl)-1<i>H</i>-pyrazole-\k^2^<i>N</i>:<i>N</i>']cobalt(II)]
_space_group_crystal_system      orthorhombic
_space_group_IT_number           43
_space_group_name_Hall           'F 2 -2d'
_space_group_name_H-M_alt        'F d d 2'
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   35.4631(11)
_cell_length_b                   40.2873(12)
_cell_length_c                   4.84230(10)
_cell_measurement_reflns_used    4631
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.55
_cell_measurement_theta_min      1.53
_cell_volume                     6918.3(3)
_computing_cell_refinement
;
SAINT-Plus (Bruker, 2014)
;
_computing_data_collection
;
APEX2 (Bruker, 2014)
;
_computing_data_reduction
;
SAINT-Plus (Bruker, 2014)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0361
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_k_max       52
_diffrn_reflns_limit_k_min       -48
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            15248
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.552
_diffrn_reflns_theta_min         1.530
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    1.031
_exptl_absorpt_correction_T_max  .943
_exptl_absorpt_correction_T_min  .861
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2014)
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.629
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3472
_exptl_crystal_size_max          .24
_exptl_crystal_size_mid          .12
_exptl_crystal_size_min          .06
_refine_diff_density_max         0.178
_refine_diff_density_min         -0.235
_refine_ls_abs_structure_details
;
Flack <i>x</i> determined using 1316 quotients
[(<i>I</i>^+^)-(<i>I</i>^-^)]/[(<i>I</i>^+^)+(<i>I</i>^-^)]
(Parsons <i>et al.</i>,  2013)
;
_refine_ls_abs_structure_Flack   0.025(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         3915
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_gt           0.0293
_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^)+(0.0282P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0585
_refine_ls_wR_factor_ref         0.0610
_reflns_number_gt                3425
_reflns_number_total             3915
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            pk2590sup1.cif
_cod_data_source_block           I
_cod_database_code               2241843
_shelx_hkl_checksum              58548
_shelx_res_checksum              78040
_cod_database_fobs_code 2241843