Two Ternary Ni^II^ Complexes: Bisglycinato(1,10-phenanthroline)nickel(II) Trihydrate and Bisglycinato(2,2'-bipyridine)nickel(II) Trihydrate
Skoulika, S.; Michaelides, A.; Aubry, A.; Acta Crystallographica Section C 51 (1995) 843–846; doi:10.1107/S0108270194012709

data_2003455
_publ_section_title
;
 Two Ternary Ni^II^ Complexes:
 Bisglycinato(1,10-phenanthroline)nickel(II) Trihydrate and
 Bisglycinato(2,2'-bipyridine)nickel(II) Trihydrate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              843
_journal_page_last               846
_journal_paper_doi               10.1107/S0108270194012709
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C14 H22 N4 Ni O7'
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_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.827(1)
_cell_length_b                   9.416(1)
_cell_length_c                   15.716(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      32
_cell_measurement_theta_min      16
_cell_volume                     1791.2(3)
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3346
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_diffrn_standards_decay_%        'not significant'
_diffrn_standards_interval_time  120
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_exptl_absorpt_coefficient_mu    1.996
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Purple
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_exptl_crystal_description       Prismatic
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_refine_diff_density_max         0.66
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_refine_ls_goodness_of_fit_obs   1.886
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     307
_refine_ls_number_reflns         2925
_refine_ls_R_factor_obs          0.056
_refine_ls_shift/esd_max         0.6
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.00185F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.068
_reflns_number_observed          2925
_reflns_number_total             3232
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            hr1020.cif
_cod_data_source_block           hr1020b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F) + 0.00185F^2^]'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w = 1/[\s^2^(F) +
0.00185F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1791.2
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C14 H22 N4 Ni1 O7'
_cod_database_code               2003455