Strontium tetramolybdate dihydrate, SrMo~4~O~13~^.^2H~2~O
Harrison, William T. A.; Acta Crystallographica Section C 55 (1999) 485–487; doi:10.1107/S0108270198013602

data_2008434
_publ_contact_author
;
William T. A. Harrison
Department of Chemistry
University of Western Australia
Nedlands WA 6907
Australia
;
_publ_section_title
;
 Strontium tetramolybdate dihydrate, SrMo~4~O~13~^.^2H~2~O
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              485
_journal_page_last               487
_journal_paper_doi               10.1107/S0108270198013602
_journal_volume                  55
_journal_year                    1999
_chemical_formula_moiety         'H4 Mo4 O15 Sr1'
_chemical_formula_sum            'H4 Mo4 O15 Sr'
_chemical_formula_weight         715.40
_chemical_melting_point          'decomposes before melting'
_chemical_name_systematic
;
?
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_audit_creation_method           CRYSTALS_ver_07-07-97
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   19.3111(12)
_cell_length_b                   7.5851(4)
_cell_length_c                   15.5140(8)
_cell_measurement_reflns_used    6651
_cell_measurement_temperature    298
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.0
_cell_volume                     2272.4(2)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Siemens, 1997)'
_computing_data_reduction        SMART
_computing_molecular_graphics    'ORTEP3 (Farrugia, 1997)'
_computing_publication_material  CRYSTALS
_computing_structure_refinement  'CRYSTALS (Watkin et al., 1997)'
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'Siemens SMART area detector'
_diffrn_measurement_method
'Peak integration from area detector frames (SAINT; Siemens, 1997)'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            24914
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.00
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    9.04
_exptl_absorpt_correction_T_max  0.695
_exptl_absorpt_correction_T_min  0.494
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    4.18
_exptl_crystal_density_meas      ?
_exptl_crystal_description       shard
_exptl_crystal_F_000             2640
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.005
_exptl_crystal_size_min          0.004
_refine_diff_density_max         1.08
_refine_diff_density_min         -0.93
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_obs   1.049
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     183
_refine_ls_number_reflns         2742
_refine_ls_R_factor_obs          0.031
_refine_ls_shift/su_max          <0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
 Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
 0.736 0.980 0.461
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.022
_reflns_number_observed          2742
_reflns_number_total             2938
_reflns_observed_criterion       I>0.50\s(I)
_cod_data_source_file            ta1224.cif
_cod_data_source_block           srmoc
_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:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        2272.4(4)
_cod_original_sg_symbol_H-M      'P b c n '
_cod_original_formula_sum        'H4 Mo4 O15 Sr1'
_cod_database_code               2008434