Alcoholysis/hydrolysis of 1,1′-carbonyldiimidazole as a means of preparing unprecedented, imidazole-containing one-dimensional coordination polymers of copper(II)
Stamatatos, Theocharis C.; Perlepes, Spyros P.; Raptopoulou, Catherine P.; Terzis, Aris; Patrickios, Costas S.; Tasiopoulos, Anastasios J.; Boudalis, Athanassios K.; Dalton Transactions  (2009) 3354–3362; doi:10.1039/b900716d

data_7001128
_publ_section_title
;
 Alcoholysis/hydrolysis of 1,1&#x2032;-carbonyldiimidazole as a means
 of preparing unprecedented, imidazole-containing one-dimensional
 coordination polymers of copper(II)
;
_journal_issue                   17
_journal_name_full               'Dalton Transactions'
_journal_page_first              3354
_journal_page_last               3362
_journal_paper_doi               10.1039/b900716d
_journal_year                    2009
_chemical_formula_sum            'C10 H16 Cu N4 O3'
_chemical_formula_weight         303.81
_chemical_name_systematic
;
?
;
_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                 108.269(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.686(5)
_cell_length_b                   14.239(5)
_cell_length_c                   8.467(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      27
_cell_measurement_theta_min      11
_cell_volume                     1337.9(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'P21 Nicolet upgarded by Crystal Logic'
_diffrn_measurement_method       '\q/2\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  0.0315
_diffrn_reflns_av_sigmaI/netI    0.0410
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2162
_diffrn_reflns_theta_full        61.07
_diffrn_reflns_theta_max         61.07
_diffrn_reflns_theta_min         6.49
_diffrn_standards_decay_%        -0.2
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.387
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.508
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parall
_exptl_crystal_F_000             628
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.672
_refine_diff_density_min         -0.637
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     165
_refine_ls_number_reflns         2016
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0517
_refine_ls_R_factor_gt           0.0479
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0878P)^2^+1.3806P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1364
_refine_ls_wR_factor_ref         0.1426
_reflns_number_gt                1822
_reflns_number_total             2016
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b900716d.txt
_cod_data_source_block           pepm43
_cod_original_cell_volume        1338.0(9)
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7001128