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#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002001.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_2002001
_journal_name_full 'Acta Crystallographica Section C'
_journal_year 1993
_journal_volume 49
_journal_page_first 374
_journal_page_last 376
_publ_section_title
;
Dimanganese-octacarbonyl Compounds with Bridging Cyclohexylphosphanes
;
loop_
_publ_author_name
'Fl\"orke, Ulrich'
'Haupt, Hans-J\"urgen'
_chemical_name_systematic
;
Bis(mu-dicyclohexylphosphanido)-octacarbonyl-dimanganese
;
_chemical_formula_sum 'C32 H44 Mn2 O8 P2'
_chemical_formula_weight 728.5
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'C 2/m'
_cell_length_a 8.668(4)
_cell_length_b 23.157(11)
_cell_length_c 8.961(4)
_cell_angle_alpha 90.000(10)
_cell_angle_beta 107.03(4)
_cell_angle_gamma 90.000(10)
_cell_volume 1719.8(14)
_cell_formula_units_Z 2
_cell_measurement_reflns_used 25
_cell_measurement_theta_min 6
_cell_measurement_theta_max 15
_cell_measurement_temperature 293
_exptl_crystal_description prism
_exptl_crystal_colour yellow
_exptl_crystal_size_max 0.32
_exptl_crystal_size_mid 0.21
_exptl_crystal_size_min 0.15
_exptl_crystal_density_diffrn 1.407
_exptl_crystal_F_000 760
_exptl_absorpt_coefficient_mu 0.84
_exptl_absorpt_correction_type 'empirical via \y-scans'
_exptl_absorpt_correction_T_min 0.70
_exptl_absorpt_correction_T_max 0.83
_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 4212
_diffrn_reflns_av_R_equivalents 0.027
_diffrn_reflns_theta_max 27.5
_diffrn_reflns_limit_h_min -11
_diffrn_reflns_limit_h_max 11
_diffrn_reflns_limit_k_min -30
_diffrn_reflns_limit_k_max 30
_diffrn_reflns_limit_l_min 0
_diffrn_reflns_limit_l_max 11
_diffrn_standards_number 3
_diffrn_standards_interval_count 400
_diffrn_standards_decay_% 0
_reflns_number_total 2041
_reflns_number_observed 1571
_reflns_observed_criterion F>4\s(F)
_refine_ls_structure_factor_coef F
_refine_ls_matrix_type full
_refine_ls_R_factor_obs 0.040
_refine_ls_wR_factor_obs 0.045
_refine_ls_goodness_of_fit_obs 1.776
_refine_ls_number_reflns 1571
_refine_ls_number_parameters 108
_refine_ls_hydrogen_treatment
; H atoms fixed at idealized positions and not refined
;
_refine_ls_weighting_scheme 'calc w=1/[\s^2^(F)+0.0001F^2^]'
_refine_ls_shift/esd_max 0.001
_refine_diff_density_max 0.55
_refine_diff_density_min -0.28
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
Mn1 0.11690(10)
  0.0000 0.35620(10)
   0.0300(10)
Uani Mn
P1 0.0000 0.06620(10)
0.5000 0.0270(10)
Uani P
C1 0.2985(5) 0.0000 0.5225(5) 0.037(2) Uani C
O1 0.4141(4) 0.0000 0.6264(4) 0.054(2) Uani O
C2 -0.0778(6) 0.0000 0.2022(5) 0.035(2) Uani C
O2 -0.1960(5) 0.0000 0.1045(4) 0.060(2) Uani O
C3 0.1988(4) 0.05500(10)
   0.2556(3) 0.042(2) Uani C
O3 0.2547(3) 0.08700(10)
   0.1888(3) 0.067(2) Uani O
C11 0.1569(3) 0.11400(10)
0.6331(3) 0.034(2) Uani C
C12 0.2447(4) 0.15480(10)
0.5511(3) 0.050(2) Uani C
C13 0.3867(4) 0.1847(2) 0.6656(4) 0.058(2) Uani C
C14 0.3370(4) 0.2167(2) 0.7908(4) 0.050(2) Uani C
C15 0.2523(4) 0.1762(2) 0.8739(4) 0.050(2) Uani C
C16 0.1083(4) 0.14670(10)
0.7609(3) 0.045(2) Uani C
H11 0.2315 0.0847 0.6858 0.080 Uiso H
H12A 0.1701 0.1836 0.4959 0.080 Uiso H
H12B 0.2835 0.1330 0.4785 0.080 Uiso H
H13A 0.4329 0.2117 0.6095 0.080 Uiso H
H13B 0.4659 0.1561 0.7141 0.080 Uiso H
H14A 0.4312 0.2323 0.8650 0.080 Uiso H
H14B 0.2651 0.2475 0.7440 0.080 Uiso H
H15A 0.3274 0.1472 0.9275 0.080 Uiso H
H15B 0.2156 0.1979 0.9482 0.080 Uiso H
H16A 0.0623 0.1198 0.8176 0.080 Uiso H
H16B 0.0294 0.1754 0.7130 0.080 Uiso H