data_2000639
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1709
_journal_page_last  1710
_publ_section_title
;
A New Modification of Hg[Mn(CO)~5~]~2~
;
loop_
_publ_author_name
 'Fl\"orke, Ulrich'
 'Haupt, Hans-J\"urgen'
_chemical_name_systematic
;
Bis-(pentacarbonylmanganese)-mercury
;
_chemical_formula_moiety  'Hg[Mn(CO)~5]~2'
_chemical_formula_sum  'C10 Hg Mn2 O10'
_chemical_formula_weight  590.6
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
_cell_length_a  6.4620(10)
_cell_length_b  6.2780(10)
_cell_length_c  18.720(3)
_cell_angle_alpha  90.00
_cell_angle_beta  95.890(10)
_cell_angle_gamma  90.00000
_cell_volume  755.4
_cell_formula_units_Z  2
_cell_measurement_reflns_used  25
_cell_measurement_theta_min  8
_cell_measurement_theta_max  18
_cell_measurement_temperature  293
_exptl_crystal_description  prism
_exptl_crystal_colour  yellow
_exptl_crystal_size_max  0.21
_exptl_crystal_size_mid  0.18
_exptl_crystal_size_min  0.15
_exptl_crystal_density_diffrn  2.596
_exptl_crystal_F_000  540
_exptl_absorpt_coefficient_mu  11.76
_exptl_absorpt_correction_type  'empirical via \y-scans'
_exptl_absorpt_correction_T_min  0.14
_exptl_absorpt_correction_T_max  0.41
_diffrn_radiation_type  'Molybdenum K\a'
_diffrn_radiation_wavelength  0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device  'Siemens R3m/V diffractometer'
_diffrn_measurement_method  \w--2\q
_diffrn_reflns_number  3934
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_theta_max  27.5
_diffrn_reflns_limit_h_min  -8
_diffrn_reflns_limit_h_max  8
_diffrn_reflns_limit_k_min  0
_diffrn_reflns_limit_k_max  8
_diffrn_reflns_limit_l_min  0
_diffrn_reflns_limit_l_max  25
_diffrn_standards_number  3
_diffrn_standards_interval_count  400
_diffrn_standards_decay_%  0
_reflns_number_total  1749
_reflns_number_observed  1491
_reflns_observed_criterion  F>4\s(F)
_refine_ls_structure_factor_coef  F
_refine_ls_matrix_type  full
_refine_ls_R_factor_obs  0.027
_refine_ls_wR_factor_obs  0.029
_refine_ls_goodness_of_fit_obs  1.543
_refine_ls_number_reflns  1491
_refine_ls_number_parameters  107
_refine_ls_weighting_scheme  'calc w=1/[\S^2^(F)+0.0001F^2^]'
_refine_ls_shift/esd_max  0.001
_refine_diff_density_max  0.85
_refine_diff_density_min  -0.88
_atom_type_scat_source  'SHELXTL-PLUS (Sheldrick 1990)'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_type_symbol
 Hg1 0.0000 0.0000 0.0000 0.0440(10)
           Uani Hg
 Mn1 0.81450(10)
      0.15100(10)
       0.88000(10)
           0.0400(10)
              Uani Mn
 C1 0.6810(8) 0.2585(10) 0.7969(3) 0.058(3) Uani C
 O1 0.5967(8) 0.3256(9) 0.7458(3) 0.086(3) Uani O
 C2 0.7599(9) 0.3781(10) 0.9364(3) 0.056(3) Uani C
 O2 0.7271(9) 0.5218(7) 0.9720(3) 0.085(4) Uani O
 C3 1.0673(8) 0.2717(9) 0.8676(3) 0.054(3) Uani C
 O3 1.2240(6) 0.3474(8) 0.8584(3) 0.076(3) Uani O
 C4 0.8944(9) -0.1007(11) 0.8390(3) 0.058(4) Uani C
 O4 0.9455(8) -0.2528(8) 0.8135(3) 0.083(3) Uani O
 C5 0.5827(8) 0.0083(9) 0.9062(3) 0.049(3) Uani C
 O5 0.4400(7) -0.0809(8) 0.9212(3) 0.066(3) Uani O