Large structural transformation and ferromagnetic ordering in a coordination polymer with a two-dimensional square-planar lattice, bis(glycolato)copper(ii)
Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Kawabata, Yohei; Kikuchi, Kentaro; Ono, Toshio; Hosokoshi, Yuko; Fujita, Wataru; CrystEngComm 15 (2013) 10193–; doi:10.1039/c3ce41806e

data_7211482
_publ_section_title
;
 Large structural transformation and ferromagnetic ordering in a
 coordination polymer with a two-dimensional square-planar lattice,
 bis(glycolato)copper(ii)
;
_journal_issue                   47
_journal_name_full               CrystEngComm
_journal_page_first              10193
_journal_paper_doi               10.1039/c3ce41806e
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         'C4 H6 Cu O6'
_chemical_formula_sum            'C4 H6 Cu O6'
_chemical_formula_weight         213.63
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 100.840(9)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   5.178(4)
_cell_length_b                   7.208(5)
_cell_length_c                   8.889(7)
_cell_measurement_reflns_used    710
_cell_measurement_temperature    150
_cell_measurement_theta_max      27.40
_cell_measurement_theta_min      3.70
_cell_volume                     325.8(4)
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r4'
_computing_data_collection
'CrystalClear-SM Expert 2.0 r4 (Rigaku, 2009)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r4'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean 14.706
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0677
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            2356
_diffrn_reflns_theta_full        27.42
_diffrn_reflns_theta_max         27.41
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.330
_exptl_absorpt_correction_T_max  0.717
_exptl_absorpt_correction_T_min  0.520
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.177
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       unknown
_exptl_crystal_F_000             214.00
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.930
_refine_diff_density_min         -0.930
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     64
_refine_ls_number_reflns         732
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0457
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0482P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1166
_reflns_number_gt                530
_reflns_number_total             732
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c3ce41806e.txt
_cod_data_source_block           130704_150k
_cod_original_cell_volume        325.8(5)
_cod_database_code               7211482