Structures of bis(di-2-pyridylamine)dinitratocopper(II) and bis(acetato)bis(di-2-pyridylamine)copper(II) monohydrate
Muñoz, M. C.; Lázaro, J. M.; Faus, J.; Julve, M.; Acta Crystallographica Section C 49 (1993) 1756–1761; doi:10.1107/S0108270193002859

data_2001296
_publ_section_title
;
 Structures of bis(di-2-pyridylamine)dinitratocopper(II) and
 bis(acetato)bis(di-2-pyridylamine)copper(II) monohydrate
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1756
_journal_page_last               1761
_journal_paper_doi               10.1107/S0108270193002859
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C14 H12 Cu1 N3 O4,H2 O1'
_chemical_formula_sum            'C14 H17 Cu N3 O5'
_chemical_formula_weight         370.85
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                83.450(10)
_cell_angle_beta                 76.700(10)
_cell_angle_gamma                73.360(10)
_cell_formula_units_Z            2
_cell_length_a                   7.3090(10)
_cell_length_b                   10.9170(10)
_cell_length_c                   11.183(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      18
_cell_measurement_theta_min      12
_cell_volume                     830.9(2)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            3354
_diffrn_reflns_theta_max         26
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.332
_exptl_absorpt_correction_T_max  0.99
_exptl_absorpt_correction_T_min  0.81
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Blue-greenish
_exptl_crystal_density_diffrn    1.47
_exptl_crystal_description       Rods
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.55
_refine_diff_density_min         -0.79
_refine_ls_hydrogen_treatment    'riding model for H atoms'
_refine_ls_number_parameters     227
_refine_ls_number_reflns         2726
_refine_ls_R_factor_obs          0.071
_refine_ls_shift/esd_max         0.1
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.071
_reflns_number_observed          2726
_reflns_number_total             2868
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            al1036.cif
_cod_data_source_block           al1036_structure_2_of_2
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-07
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_cod_original_cell_volume        830.91
_cod_original_formula_sum        'C14 H17 Cu1 N3 O5'
_cod_database_code               2001296