Aqua[1,3-propanediyldiiminobis(1,3-dimethyl-5-nitrosouracilato)-κ^4^<i>N</i>^5^,<i>N</i>^6^,<i>N</i>^15^,<i>N</i>^16^]copper(II) Monohydrate
Kivekäs, R.; Klinga, M.; Colacio, E.; Dominguez-Vera, J. M.; Romerosa, A.; Acta Crystallographica Section C 51 (1995) 1087–1089; doi:10.1107/S0108270194013697

data_2003514
_publ_section_title
;Aqua[1,3-propanediyldiiminobis(1,3-dimethyl-5-nitrosouracilato)-\k^4^<i>N</i>^5^,<i>N</i>^6^,<i>N</i>^15^,<i>N</i>^16^]copper(II)
 Monohydrate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1087
_journal_page_last               1089
_journal_paper_doi               10.1107/S0108270194013697
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C15 H22 Cu1 N8 O8'
_chemical_formula_sum            'C15 H22 Cu N8 O8'
_chemical_formula_weight         505.94
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           'Xtal3.0 (Hall & Stewart, 1990)'
_cell_angle_alpha                90
_cell_angle_beta                 96.63(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.809(1)
_cell_length_b                   8.4044(9)
_cell_length_c                   21.119(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      13.2
_cell_measurement_theta_min      8.4
_cell_volume                     1905.7(4)
_diffrn_measurement_device       'Nicolet P3F'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.017
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            4470
_diffrn_reflns_theta_max         26.5
_diffrn_standards_decay_%        1.0
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.21
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.894
_exptl_absorpt_correction_type   'empirical via \y scans'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.763
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.5
_refine_diff_density_min         -0.6
_refine_ls_goodness_of_fit_obs   2.064
_refine_ls_number_parameters     321
_refine_ls_number_reflns         3121
_refine_ls_R_factor_obs          0.040
_refine_ls_shift/esd_max         0.57
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;
Weighting scheme based on measured e.s.d.'s
;
_refine_ls_wR_factor_obs         0.036
_reflns_number_observed          3121
_reflns_number_total             3959
_reflns_observed_criterion       >4\s(F)
_cod_data_source_file            ab1203.cif
_cod_data_source_block           ab1203a
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C15 H22 Cu1 N8 O8'
_cod_database_code               2003514