Mono(aminocarboxylato)cobalt(III) Complexes Possessing Only Vicinal and Conformational Asymmetry. IV. Silver(I) <i>mer</i>-(NO~2~),<i>trans</i>-(NH~2~,NH~3~)-[(<i>S</i>)-alaninato]amminetrinitrocobaltate(III) Monohydrate
Prelesnik, B.; Andjelković, K.; Malinar, M.; Juranic, N.; Acta Crystallographica Section C 51 (1995) 1767–1769; doi:10.1107/S0108270195002812

data_2003920
_publ_section_title
;Mono(aminocarboxylato)cobalt(III) Complexes Possessing Only Vicinal and
 Conformational Asymmetry. IV. Silver(I)
 <i>mer</i>-(NO~2~),<i>trans</i>-(NH~2~,NH~3~)-[(<i>S</i>)-alaninato]amminetrinitrocobaltate(III)
 Monohydrate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1767
_journal_page_last               1769
_journal_paper_doi               10.1107/S0108270195002812
_journal_volume                  51
_journal_year                    1995
_chemical_formula_structural     'Ag [Co (N O2)3 (C3 H6 O2 N) (N H3)] H2 0'
_chemical_formula_sum            'C3 H11 Ag Co N5 O9'
_chemical_formula_weight         427.95
_chemical_name_systematic
;
Mer(NO~2~),trans(NH~2~,NH~3~)-silver(I)-
(S-alaninato)amminetrinitrocobaltate(III) Monohydrate
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_creation_method           manually
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.9169(9)
_cell_length_b                   9.2702(6)
_cell_length_c                   15.9849(12)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(1)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      18
_cell_volume                     1173.15(18)
_diffrn_ambient_temperature      293.0(10)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q/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  0.066
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2236
_diffrn_reflns_theta_max         28
_diffrn_reflns_theta_min         2
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    3.12
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'Dark Red'
_exptl_crystal_density_diffrn    2.423
_exptl_crystal_description       Prismatic
_exptl_crystal_F_000             840
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.32
_refine_diff_density_max         0.588
_refine_diff_density_min         -0.632
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   2.60
_refine_ls_hydrogen_treatment    'H atoms treated using a riding model'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     172
_refine_ls_number_reflns         1530
_refine_ls_number_restraints     0
_refine_ls_restrained_S_obs      1.74
_refine_ls_R_factor_obs          0.035
_refine_ls_shift/esd_max         0.02
_refine_ls_shift/esd_mean        0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F~o~)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.037
_reflns_number_observed          1530
_reflns_number_total             1971
_reflns_observed_criterion       >3sigma(I)
_cod_data_source_file            ka1120.cif
_cod_data_source_block           agcoam
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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 'Orthorhombic' changed to
'orthorhombic' 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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w = 1/[\s^2^(F~o~)]' 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~o~)]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1173.20(10)
_cod_database_code               2003920