#------------------------------------------------------------------------------ #$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: svn://www.crystallography.net/cod/cif/2/00/02/2000277.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_2000277 loop_ _publ_author_name 'Davies, J. A.' 'El-Ghanam, M.' 'Pinkerton, A. A.' _publ_section_title ; Di-\m-iodo-bis[tetracarbonylmanganese(I)] ; _journal_issue 7 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 1356 _journal_page_last 1358 _journal_volume 47 _journal_year 1991 _chemical_formula_sum 'C8 I2 Mn2 O8' _[local]_cod_chemical_formula_sum_orig 'Mn2 I2 C8 O8' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 108.650(10) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 9.7590(10) _cell_length_b 12.252(2) _cell_length_c 13.017(2) _cell_volume 1474.8 _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71073 _exptl_absorpt_coefficient_mu 5.82 _exptl_crystal_density_diffrn 2.65 _exptl_crystal_F_000 1072 _[local]_cod_data_source_file cr0280.cif _[local]_cod_data_source_block cr0280a _[local]_cod_cif_authors_sg_H-M P21/c loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv I1 -.11491(5) .01455(4) .34614(4) 3.050(10) I2 -.11238(5) .25218(4) .17825(4) 3.090(10) Mn1 .10290(10) .13117(9) .31261(8) 2.44(2) Mn2 -.32810(10) .13217(8) .20810(8) 2.49(2) O1 .1052(7) .2787(5) .4976(5) 5.4(2) O2 .3272(6) -.0082(4) .4593(5) 4.40(10) O3 .3312(6) .2636(5) .2720(5) 5.2(2) O4 .0884(7) -.0109(5) .1226(5) 5.4(2) O5 -.3254(7) .2800(5) .3914(5) 5.6(2) O6 -.5524(6) -.0061(5) .2512(6) 5.5(2) O7 -.5492(7) .2672(5) .0524(5) 5.5(2) O8 -.3136(7) -.0167(5) .0301(5) 5.7(2) C1 .1012(7) .2230(6) .4279(6) 2.9(2) C2 .2378(8) .0449(6) .4023(6) 3.2(2) C3 .2425(8) .2140(6) .2867(6) 3.2(2) C4 .0941(8) .0423(6) .1943(6) 3.3(2) C5 -.3237(8) .2253(6) .3241(6) 3.5(2) C6 -.4641(8) .0468(6) .2327(7) 3.8(2) C7 -.4621(8) .2156(6) .1133(6) 3.6(2) C8 -.3174(8) .0395(7) .0972(6) 3.5(2) _cod_database_code 2000277