<i>catena</i>-Poly[aqua(benzimidazole-<i>N</i>^3^)copper(II)-μ-malonato-<i>O</i>,<i>O</i>'':<i>O</i>']
Tosik, A.; Sieron, L.; Bukowska-Strzyzewska, M.; Acta Crystallographica Section C 51 (1995) 1987–1989; doi:10.1107/S0108270195004707

data_2004014
_publ_section_title
<i>catena</i>-Poly[aqua(benzimidazole-<i>N</i>^3^)copper(II)-\m-malonato-<i>O</i>,<i>O</i>'':<i>O</i>']
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1987
_journal_page_last               1989
_journal_paper_doi               10.1107/S0108270195004707
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C10 H10 Cu N2 O5'
_chemical_formula_weight         301.74
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_type_scat_source           'SHELXL93 (Sheldrick, 1993)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.7240(10)
_cell_length_b                   8.7210(10)
_cell_length_c                   18.692(3)
_cell_measurement_reflns_used    25.0
_cell_measurement_temperature    293
_cell_measurement_theta_max      26.0
_cell_measurement_theta_min      15.0
_cell_volume                     1096.1(3)
_computing_data_collection
'Enraf-Nonius CAD-4 software (Enraf-Nonius, 1989)'
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1985)'
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  'no equivalents'
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1352
_diffrn_reflns_theta_max         74.89
_diffrn_standards_decay_%        1.6
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.007
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.828
_exptl_crystal_density_meas      1.820
_exptl_crystal_density_method    'flotation in CH~3~I + C~6~H~6~'
_exptl_crystal_description       needle
_exptl_crystal_size_max          .20
_exptl_crystal_size_mid          .175
_exptl_crystal_size_min          .15
_refine_diff_density_max         .453
_refine_diff_density_min         -01.111
_refine_ls_abs_structure_Flack   '\c = 0.03(6) (Flack, 1983)'
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.070
_refine_ls_number_parameters     165
_refine_ls_number_reflns         1296
_refine_ls_R_factor_obs          .0462
_refine_ls_shift/esd_max         .02
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;                    1/[\s^2^(F~o~^2^)+(0.1077P)^2^+0.49P] where P=
[max(F~o~^2^,0)+2F~c~^2^]/3
;
_refine_ls_wR_factor_obs         .0470
_reflns_number_observed          1296
_reflns_number_total             1331
_reflns_observed_criterion       F>4\s(F)
_cod_data_source_file            jz1046.cif
_cod_data_source_block           jz1046a
_cod_original_cell_volume        1096.2(3)
_cod_database_code               2004014