Zigzag Chain Structure of Hexaammonium Enneamolybdate Pentahydrate
Yamase, T.; Sugeta, M.; Ishikawa, E.; Acta Crystallographica Section C 52 (1996) 1869–1872; doi:10.1107/S010827019501585X

data_2005288
_publ_section_title
;
 Zigzag Chain Structure of Hexaammonium Enneamolybdate Pentahydrate
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1869
_journal_page_last               1872
_journal_paper_doi               10.1107/S010827019501585X
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'H34 Mo9 N6 O35'
_chemical_formula_weight         1541.747
_space_group_IT_number           2
_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                95.31(1)
_cell_angle_beta                 120.16(1)
_cell_angle_gamma                96.62(1)
_cell_formula_units_Z            2
_cell_length_a                   10.622(2)
_cell_length_b                   18.234(1)
_cell_length_c                   10.400(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      10
_cell_volume                     1703.2(5)
_diffrn_measurement_device       'Rigaku AFC-5S'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.018
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7807
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        1.6
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.24
_exptl_absorpt_correction_T_max  0.97
_exptl_absorpt_correction_T_min  0.84
_exptl_absorpt_correction_type   'refdelf (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.01
_exptl_crystal_description       'thin plate'
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.01
_refine_diff_density_max         '2.46 (at 0.71 \%A from O33)'
_refine_diff_density_min         '-1.18 (at 0.61 \%A from O33)'
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.826
_refine_ls_hydrogen_treatment    'H atoms not located'
_refine_ls_number_parameters     246
_refine_ls_number_reflns         6280
_refine_ls_R_factor_obs          0.0414
_refine_ls_shift/esd_max         0.0109
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/\s^2^(F)
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0337
_reflns_number_observed          6280
_reflns_number_total             7422
_reflns_observed_criterion       I>2.0\s(I)
_cod_data_source_file            oh1091.cif
_cod_data_source_block           oh1091a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' w=1/\s^2^(F)' 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)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1703.0(10)
_cod_database_code               2005288