Two Transition-Metal Antimony Ethoxides: <i>M</i>~2~Sb~4~(OEt)~16~; <i>M</i> = Ni or Mn
Bemm, U.; Norrestam, R.; Nygren, M.; Westin, G.; Acta Crystallographica Section C 51 (1995) 1260–1263; doi:10.1107/S0108270195000783

data_2003617
_publ_section_title
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 Two Transition-Metal Antimony Ethoxides: <i>M</i>~2~Sb~4~(OEt)~16~;
 <i>M</i> = Ni or Mn
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_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1260
_journal_page_last               1263
_journal_paper_doi               10.1107/S0108270195000783
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C32 H80 Mn2 O16 Sb4'
_chemical_formula_weight         1317.84
_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                63.65(2)
_cell_angle_beta                 79.90(2)
_cell_angle_gamma                86.86(2)
_cell_formula_units_Z            1
_cell_length_a                   9.143(4)
_cell_length_b                   12.318(4)
_cell_length_c                   12.798(4)
_cell_measurement_reflns_used    16
_cell_measurement_temperature    178(1)
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      10.0
_cell_volume                     1271.1(8)
_diffrn_measurement_device       'Stoe four-circle'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.014
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4770
_diffrn_reflns_theta_max         50.0
_diffrn_standards_decay_%        4.1
_diffrn_standards_interval_time  240
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.627
_exptl_absorpt_correction_T_max  0.557
_exptl_absorpt_correction_T_min  0.353
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            transparent
_exptl_crystal_density_diffrn    1.722(2)
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.5
_refine_diff_density_max         1.8
_refine_diff_density_min         -1.7
_refine_ls_extinction_method     none
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     368
_refine_ls_number_reflns         3935
_refine_ls_R_factor_obs          0.039
_refine_ls_shift/esd_max         0.25
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F~o~)+(0.0002|F^2^|)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.054
_reflns_number_observed          3935
_reflns_number_total             4463
_reflns_observed_criterion       |F~o~|>3\s(|F~o~|)
_cod_data_source_file            ab1151.cif
_cod_data_source_block           ab1151b
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F~o~)+(0.0002|F^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~o~)+(0.0002|F^2^|)]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_database_code               2003617