Diamminesilver(I) bis(biuretato-<i>N</i>^1^,<i>N</i>^5^)nickelate(II) hexahydrate
Pajunen, A.; Pajunen, S.; Acta Crystallographica Section C 50 (1994) 1884–1886; doi:10.1107/S0108270194006505

data_2010296
_publ_section_title
;
 Diamminesilver(I) bis(biuretato-<i>N</i>^1^,<i>N</i>^5^)nickelate(II)
 hexahydrate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1884
_journal_page_last               1886
_journal_paper_doi               10.1107/S0108270194006505
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C4 H30 Ag2 N10 Ni O10'
_chemical_formula_weight         652.83
_chemical_name_systematic
;
Bis[diamminesilver(I)] Bis(biuretato-N^1^,N^5^)nickelate(II) Hexahydrate
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 112.02(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.647(3)
_cell_length_b                   21.162(3)
_cell_length_c                   7.737(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      13
_cell_measurement_theta_min      8
_cell_volume                     1008.9(7)
_computing_cell_refinement       'Nicolet P3 Software'
_computing_data_collection
' Nicolet P3 Software (Nicolet XRD Corporation, 1980)'
_computing_data_reduction        'Nicolet P3 Software'
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 1990b)'
_computing_publication_material  SHELXL93
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1994)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990a)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Nicolet P3'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0430
_diffrn_reflns_av_sigmaI/netI    0.0264
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            2442
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.92
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.909
_exptl_absorpt_correction_T_max  0.945
_exptl_absorpt_correction_T_min  0.812
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    2.149
_exptl_crystal_density_meas      2.12(3)
_exptl_crystal_density_method    flotation
_exptl_crystal_description       Prism
_exptl_crystal_F_000             652
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.410
_refine_diff_density_min         -0.911
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.089
_refine_ls_goodness_of_fit_obs   1.132
_refine_ls_hydrogen_treatment
' H atoms riding with C-H, N-H = 0.96 and O-H = 0.85\%A'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     164
_refine_ls_number_reflns         2256
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.215
_refine_ls_restrained_S_obs      1.126
_refine_ls_R_factor_all          0.0663
_refine_ls_R_factor_obs          0.0499
_refine_ls_shift/esd_max         0.058
_refine_ls_shift/esd_mean        0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
; calc w = 1/[\s^2^(F~o~^2^) + (0.0823P)^2^ + 2.6307P]
where P = (F~o~^2^ + 2F~c~^2^)/3
;
_refine_ls_wR_factor_all         0.1614
_refine_ls_wR_factor_obs         0.1361
_reflns_number_observed          1892
_reflns_number_total             2258
_reflns_observed_criterion       I>2sigma(I)
_cod_data_source_file            hr1030.cif
_cod_data_source_block           structure
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1008.9(6)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2010296