Di-μ-aqua-bis[bis(nitrato-<i>O</i>,<i>O</i>')dioxouranium(VI)] Bis(2-dimethylaminoethanol)
Hämäläinen, R.; Turpeinen, U.; Mutikainen, I.; Acta Crystallographica Section C 52 (1996) 16–17; doi:10.1107/S0108270195009255

data_2004333
_publ_section_title
;
 Di-\m-aqua-bis[bis(nitrato-<i>O</i>,<i>O</i>')dioxouranium(VI)]
 Bis(2-dimethylaminoethanol)
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              16
_journal_page_last               17
_journal_paper_doi               10.1107/S0108270195009255
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C8 H26 N6 O20 U2'
_chemical_formula_weight         1002.38
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 99.01(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.799(5)
_cell_length_b                   12.969(9)
_cell_length_c                   7.885(4)
_cell_measurement_reflns_used    18
_cell_measurement_temperature    293
_cell_measurement_theta_max      14
_cell_measurement_theta_min      7
_cell_volume                     1292.7(12)
_diffrn_measurement_device       'Nicolet P3F'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.018
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            1721
_diffrn_reflns_theta_max         27
_diffrn_standards_decay_%        2
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    12.61
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.74
_exptl_absorpt_correction_type
'empirical (\y scan; North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.575
_exptl_crystal_density_method    none
_exptl_crystal_description       cubiform
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.00
_refine_diff_density_min         -2.73
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   2.04
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     77
_refine_ls_number_reflns         949
_refine_ls_R_factor_obs          0.057
_refine_ls_shift/esd_max         0.214
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+0.0006F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.062
_reflns_number_observed          949
_reflns_number_total             1484
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            ab1283.cif
_cod_data_source_block           ab1283a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' 1/[\s^2^(F)+0.0006F^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)+0.0006F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1293.0(10)
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               2004333