Poly[di-μ-glycinato-copper(II)]: a two-dimensional coordination polymer
Gschwind, Fabienne; Jansen, Martin; Acta Crystallographica Section E 67 (2011) m1218–m1219; doi:10.1107/S1600536811031503

data_2231691
_publ_section_title
;
 Poly[di-\m-glycinato-copper(II)]: a two-dimensional coordination
 polymer
;
_journal_coeditor_code           SU2280
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1218
_journal_page_last               m1219
_journal_paper_doi               10.1107/S1600536811031503
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cu (C2 H4 N O2)2]'
_chemical_formula_moiety         'C4 H8 Cu N2 O4'
_chemical_formula_sum            'C4 H8 Cu N2 O4'
_chemical_formula_weight         211.66
_chemical_name_common            Poly-{Bis-(glycine)copper(II}~n~
_chemical_name_systematic
;
Poly[di-\m-glycinato-copper(II)]
;
_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'
_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                 107.36(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.4265(19)
_cell_length_b                   5.1159(10)
_cell_length_c                   13.912(3)
_cell_measurement_reflns_used    5867
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      30.46
_cell_measurement_theta_min      2.31
_cell_volume                     640.3(2)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2009)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2009)'
_computing_data_reduction        'X-RED (Stoe & Cie, 2009)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Stoe IPDS 2'
_diffrn_measurement_method       'rotation method'
_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  0.0484
_diffrn_reflns_av_sigmaI/netI    0.0295
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            9012
_diffrn_reflns_theta_full        30.03
_diffrn_reflns_theta_max         30.03
_diffrn_reflns_theta_min         2.32
_exptl_absorpt_coefficient_mu    3.373
_exptl_absorpt_correction_T_max  0.6918
_exptl_absorpt_correction_T_min  0.5488
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(X-SHAPE and X-RED; Stoe & Cie, 2009)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.195
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             428
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.424
_refine_diff_density_min         -0.582
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     116
_refine_ls_number_reflns         1876
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0447
_refine_ls_R_factor_gt           0.0322
_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^)+(0.0447P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0716
_refine_ls_wR_factor_ref         0.0752
_reflns_number_gt                1561
_reflns_number_total             1876
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            su2280.cif
_cod_data_source_block           I
_cod_original_cell_volume        640.4(2)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2231691
_cod_database_fobs_code          2231691