<i>catena</i>-Poly[[[(oxamide dioxime-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-<small>L</small>-tartrato-κ^4^<i>O</i>^1^,O^2^:<i>O</i>^3^,<i>O</i>^4^] tetrahydrate]: a chiral nanochannel framework hosting solvent water molecules
Bélombé, Michel M.; Nenwa, Justin; Wankap Kouamo, Jean S. T.; Ponou, Siméon; Fischer, Andreas; Acta Crystallographica Section C 68 (2012) m131–m134; doi:10.1107/S0108270112016435

data_2018480
_publ_section_title
;
 <i>catena</i>-Poly[[[(oxamide
 dioxime-\k^2^<i>N</i>,<i>N</i>')copper(II)]-\m-<small>L</small>-tartrato-\k^4^<i>O</i>^1^,O^2^:<i>O</i>^3^,<i>O</i>^4^]
 tetrahydrate]: a chiral nanochannel framework hosting solvent water
 molecules
;
_journal_coeditor_code           SF3165
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m131
_journal_page_last               m134
_journal_paper_doi               10.1107/S0108270112016435
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Cu (C4 H4 O6) (C2 H6 N4 O2)] , 4H2 O'
_chemical_formula_moiety         'C6 H10 Cu N4 O8, 4(H2 O)'
_chemical_formula_sum            'C6 H18 Cu N4 O12'
_chemical_formula_weight         401.772
_chemical_name_systematic
;
<i>catena</i>-Poly[[[(oxamide
dioxime-\k^2^<i>N</i>,<i>N</i>')copper(II)]-\m-<i>L</i>-tartrato-
\k^4^<i>O</i>^1^,O^2^:<i>O</i>^3^,<i>O</i>^4^] tetrahydrate]
;
_space_group_IT_number           96
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.6316(9)
_cell_length_b                   14.6316(9)
_cell_length_c                   6.6239(4)
_cell_measurement_reflns_used    171
_cell_measurement_temperature    299
_cell_measurement_theta_max      22.3
_cell_measurement_theta_min      3.7
_cell_volume                     1418.07(15)
_computing_cell_refinement       'DIRAX (Duisenberg, 1992)'
_computing_data_collection       'COLLECT (Nonius, 1999)'
_computing_data_reduction        'EvalCCD (Duisenberg <i>et al.</i>, 2003)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      299
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device       'Bruker Nonius KappaCCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_reflns_av_R_equivalents  0.0385
_diffrn_reflns_av_sigmaI/netI    0.0349
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            10357
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         5.00
_exptl_absorpt_coefficient_mu    1.616
_exptl_absorpt_correction_T_max  0.798
_exptl_absorpt_correction_T_min  0.629
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2003)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.882
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             828
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.205
_refine_diff_density_min         -0.204
_refine_ls_abs_structure_details 'Flack (1983), with 644 Friedel pairs'
_refine_ls_abs_structure_Flack   0.021(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     103
_refine_ls_number_reflns         1624
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0339
_refine_ls_R_factor_gt           0.0236
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_max_lt       0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_shift/su_mean_lt      0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0277P)^2^+0.0841P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0497
_refine_ls_wR_factor_ref         0.0525
_reflns_number_gt                1426
_reflns_number_total             1624
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sf3165.cif
_cod_data_source_block           I
_cod_original_cell_volume        1418.1(2)
_cod_database_code               2018480
_cod_database_fobs_code          2018480