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#$Date: 2022-09-28 17:08:17 +0200 (Wed 28 de Sep de 2022) $
#$Revision: 278247 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/18/2001880.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2001880
loop_
_publ_author_name
'Flörke, U.'
'Haupt, H.-J.'
_publ_section_title
;
 Dimanganese octacarbonyl complexes with bridging phosphanido ligands
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              533
_journal_page_last               535
_journal_paper_doi               10.1107/S0108270192007443
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C20 H12 Mn2 O8 P2'
_chemical_formula_weight         552.1
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                100.160(10)
_cell_angle_beta                 99.430(10)
_cell_angle_gamma                106.220(10)
_cell_formula_units_Z            1
_cell_length_a                   6.8480(10)
_cell_length_b                   8.720(2)
_cell_length_c                   10.805(2)
_cell_volume                     594.1(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.20
_exptl_crystal_density_diffrn    1.543
_exptl_crystal_F_000             276
_cod_data_source_file            se0088.cif
_cod_data_source_block           se0088_structure_2_of_2
_cod_original_cell_volume        594.1
_cod_database_code               2001880
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mn(1) .07280(10) .20770(10) -.03130(10) .0400(10)
P(1) .1689(2) .0584(2) .11640(10) .0420(10)
C(1) -.1265(6) .2501(5) .0500(5) .0530(10)
O(1) -.2564(5) .2763(4) .0973(4) .0810(10)
C(2) .2610(6) .1458(5) -.1178(4) .0520(10)
O(2) .3767(5) .1087(4) -.1699(4) .0750(10)
C(3) -.0186(6) .2918(5) -.1635(5) .0550(10)
O(3) -.0759(5) .3437(5) -.2473(4) .0880(10)
C(4) .2735(6) .3948(5) .0638(4) .0500(10)
O(4) .4021(5) .5103(4) .1261(4) .0770(10)
C(11) .2182(5) .1492(3) .2883(3) .0560(10)
C(12) .4088 .1619 .3657 .1470(10)
C(13) .4546 .2319 .4978 .1860(10)
C(14) .3098 .2892 .5524 .1300(10)
C(15) .1192 .2765 .4750 .1640(10)
C(16) .0733 .2065 .3429 .1450(10)
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
P(1) Mn(1) P(1) 76.90(10)
Mn(1) P(1) Mn(1) 103.10(10)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Mn(1) P(1) 2.355(2)
Mn(1) P(1) 2.3610(10)
