A Zinc(II) Complex of Creatinine
Okabe, N.; Kohyama, Y.; Ikeda, K.; Acta Crystallographica Section C 51 (1995) 222–224; doi:10.1107/S0108270194010036

data_2010467
_publ_section_title
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 A Zinc(II) Complex of Creatinine
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_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              222
_journal_page_last               224
_journal_paper_doi               10.1107/S0108270194010036
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C8 H14 Cl2 N6 O2 Zn'
_chemical_formula_weight         362.52
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_type_scat_source           IntTabIV
_cell_angle_alpha                94.93(3)
_cell_angle_beta                 94.00(4)
_cell_angle_gamma                77.34(4)
_cell_formula_units_Z            2
_cell_length_a                   8.184(5)
_cell_length_b                   12.363(4)
_cell_length_c                   7.101(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      19.0
_cell_measurement_theta_min      10.3
_cell_volume                     697.5(5)
_diffrn_measurement_device       'Rigaku AFC-5R'
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_diffrn_reflns_limit_h_min       1
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            3426
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        '1.40% decline'
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.195
_exptl_absorpt_correction_T_max  1.07
_exptl_absorpt_correction_T_min  0.87
_exptl_absorpt_correction_type   'refdelf (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.726
_exptl_crystal_description       needle
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_exptl_crystal_size_min          0.1
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     172
_refine_ls_number_reflns         1248
_refine_ls_R_factor_obs          0.049
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4F~o~^2^/\s^2^(F~o~)^2^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.049
_reflns_number_observed          1248
_reflns_number_total             3200
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            hu1081.cif
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_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 4F~o~^2^/\s^2^(F~o~)^2^' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
4F~o~^2^/\s^2^(F~o~)^2^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        697.5(6)
_cod_database_code               2010467