#------------------------------------------------------------------------------
#$Date: 2016-12-06 15:28:16 +0100 (mar 06 de dic de 2016) $
#$Revision: 188978 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/06/1520603.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1520603
loop_
_publ_author_name
'Lehtonen, Ari'
'Sillanpaa, Reijo'
_publ_section_title
;
 Dioxomolybdenum(VI) Complexes of Chelating Alkoxides
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1078
_journal_page_last               1082
_journal_paper_doi               10.3891/acta.chem.scand.53-1078
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C6 H14 Mo O6'
_chemical_formula_weight         278.11
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.698(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.7150(8)
_cell_length_b                   11.0476(7)
_cell_length_c                   10.9625(7)
_cell_volume                     1029.65(13)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.271
_refine_ls_number_parameters     119
_refine_ls_number_reflns         1812
_refine_ls_R_factor_gt           0.020
_refine_ls_wR_factor_gt          0.050
_cod_data_source_file            Acta-Chem-Scand-1999-53-1078-1082-1.cif
_cod_data_source_block           1
_cod_depositor_comments
;
No atomic coordinates in the paper,
a dummy atom was added

 The dummy atom was replaced by unknown values. This is the
 standard way of marking entries in the COD that do not contain
 coordinates.

 Antanas Vaitkus,
 2016-12-06
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C6 H14 O6 Mo'
_cod_database_code               1520603
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_calc_flag
? ? ? ? ? ? ?
