##############################################################################
###                                                                        ###
###           Full Paper (Acta Crystallographica Section C)                ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section C. It conforms to the editorial and technical    #
# requirements of Notes for Authors for Section C, and has been peer         #
# reviewed under the auspices of the IUCr Commission on Journals.            #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
#                                                                            #
##############################################################################
data_III
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common     ?
_chemical_formula_moiety     'C16 H36 N + , C3 H12 B9 BrH12 Mn  O3 - '
_chemical_formula_sum     'C19 H48 B9 Br Mn N O3'
_chemical_formula_iupac     '(C16 H36 N)[Mn(CO)3 (B9 BrH12 )]'
_chemical_formula_weight     570.72
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     P21/n
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x-1/2, -y-1/2, z-1/2'
_cell_length_a     11.74690(10)
_cell_length_b     18.2581(2)
_cell_length_c     14.55580(10)
_cell_angle_alpha     90.00
_cell_angle_beta     101.3520(10)
_cell_angle_gamma     90.00
_cell_volume     3060.79(5)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     34786
_cell_measurement_theta_min     1.81
_cell_measurement_theta_max     27.48
_cell_measurement_temperature     150(2)
_exptl_crystal_description     plate
_exptl_crystal_colour     'dark red'
_exptl_crystal_size_max      .20
_exptl_crystal_size_mid      .20
_exptl_crystal_size_min      .05
_exptl_crystal_density_diffrn     1.239
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1192
_exptl_absorpt_coefficient_mu     1.757
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(Blessing, 1997)'
_exptl_absorpt_correction_T_min      .710
_exptl_absorpt_correction_T_max      .916
_exptl_special_details
;
Run at EPSRC service, Southampton 1/2000
;
_diffrn_ambient_temperature     150(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength      .71073
_diffrn_radiation_source     'Enraf Nonius FR591 rotating anode'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Nonius Kappa CCD'
_diffrn_measurement_method     'φ & ω scans to fill Ewald sphere'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     34786
_diffrn_reflns_av_R_equivalents      .0533
_diffrn_reflns_av_sigmaI/netI      .0395
_diffrn_reflns_theta_min     1.81
_diffrn_reflns_theta_max     27.48
_diffrn_reflns_theta_full     27.48
_diffrn_measured_fraction_theta_max      .960
_diffrn_measured_fraction_theta_full      .960
_diffrn_reflns_limit_h_min     -15
_diffrn_reflns_limit_h_max     15
_diffrn_reflns_limit_k_min     -22
_diffrn_reflns_limit_k_max     23
_diffrn_reflns_limit_l_min     -18
_diffrn_reflns_limit_l_max     18
_diffrn_standards_number     ?
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     <2%
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     6964
_reflns_number_gt     5105
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all      .0742
_refine_ls_R_factor_gt      .0488
_refine_ls_wR_factor_ref      .1431
_refine_ls_goodness_of_fit_ref     1.030
_refine_ls_restrained_S_all     1.030
_refine_ls_number_reflns     6964
_refine_ls_number_parameters     353
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     'calc'
_refine_ls_weighting_details
;
 w = 1/[σ²(Fo²)+(0.0796P)²+1.8574P] where P=(Fo²+2Fc²)/3
;
_refine_ls_shift/su_max     <0.001
_refine_ls_shift/su_mean      .000
_refine_diff_density_max     1.020
_refine_diff_density_min      -.517
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_extinction_coef      .0048(7)
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'Br' 'Br'  -.2901 2.4595
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Mn' 'Mn'  .3368  .7283
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O'  .0106  .0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N'  .0061  .0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'C' 'C'  .0033  .0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'B' 'B'  .0013  .0007
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H'  .0000  .0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
DENZO  (Otwinowski & Minor, 1997) and  COLLECT (Hooft, 1998)
;
_computing_cell_refinement     'DENZO and  COLLECT'
_computing_data_reduction     'DENZO and COLLECT'
_computing_structure_solution     'SIR92 (Altomare et al., 1994)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_publication_material     'SHELXL97'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    _atom_site_type_symbol
    Br1  .17502(3)  .445518(18)  -.00657(2)  .04974(14) Uani d . 1 . . Br
    Mn1  .39109(4)  .30641(2)  -.04172(3)  .03767(15) Uani d . 1 . . Mn
    O1  .4786(3)  .34527(15)  -.21197(17)  .0660(7) Uani d . 1 . . O
    O2  .1491(3)  .28921(15)  -.1406(2)  .0720(8) Uani d . 1 . . O
    O3  .4174(3)  .14830(12)  -.07128(19)  .0652(7) Uani d . 1 . . O
    N1  .3917(3)  .05306(14)  .21483(18)  .0460(6) Uani d . 1 . . N
    C1  .4439(3)  .32939(17)  -.1462(2)  .0484(7) Uani d . 1 . . C
    C2  .2439(3)  .29836(17)  -.1031(2)  .0500(8) Uani d . 1 . . C
    C3  .4085(3)  .21024(18)  -.0596(2)  .0502(8) Uani d . 1 . . C
    C4  .5135(4)  .0819(2)  .2270(3)  .0439(10) Uani d P  .735(4) A 1 C
    H4A  .5101  .1360  .2279  .053 Uiso calc PR  .735(4) A 1 H
    H4B  .5568  .0659  .2892  .053 Uiso calc PR  .735(4) A 1 H
    C5  .5819(4)  .0594(2)  .1547(3)  .0636(10) Uani d . 1 A 1 C
    H5A  .5855  .0052  .1528  .076 Uiso calc R 1 A 1 H
    H5B  .5409  .0764  .0924  .076 Uiso calc R 1 A 1 H
    C6  .7020(4)  .0890(3)  .1730(4)  .0809(12) Uani d . 1 A 1 C
    H6A  .6980  .1430  .1777  .097 Uiso calc R 1 A 1 H
    H6B  .7435  .0703  .2344  .097 Uiso calc R 1 A 1 H
    C7  .7706(5)  .0703(3)  .1011(4)  .0957(16) Uani d . 1 A 1 C
    H7A  .7790  .0170  .0982  .144 Uiso calc R 1 A 1 H
    H7B  .8476  .0929  .1177  .144 Uiso calc R 1 A 1 H
    H7C  .7307  .0886  .0400  .144 Uiso calc R 1 A 1 H
    C8  .3853(4)  -.0283(2)  .2023(3)  .0477(11) Uani d P  .735(4) A 1 C
    H8A  .4054  -.0406  .1412  .057 Uiso calc PR  .735(4) A 1 H
    H8B  .3041  -.0441  .1999  .057 Uiso calc PR  .735(4) A 1 H
    C9  .4645(5)  -.0722(2)  .2790(3)  .0447(10) Uani d P  .735(4) A 1 C
    H9A  .5464  -.0636  .2743  .054 Uiso calc PR  .735(4) A 1 H
    H9B  .4542  -.0544  .3410  .054 Uiso calc PR  .735(4) A 1 H
    C10  .4401(4)  -.1536(2)  .2723(3)  .0770(12) Uani d . 1 A 1 C
    H10A  .3578  -.1619  .2761  .092 Uiso calc R 1 A 1 H
    H10B  .4509  -.1713  .2103  .092 Uiso calc R 1 A 1 H
    C11  .5134(6)  -.1969(3)  .3448(4)  .109(2) Uani d . 1 A 1 C
    H11A  .5951  -.1852  .3461  .163 Uiso calc R 1 A 1 H
    H11B  .5000  -.2491  .3312  .163 Uiso calc R 1 A 1 H
    H11C  .4943  -.1855  .4058  .163 Uiso calc R 1 A 1 H
    C12  .3199(4)  .0910(3)  .1272(3)  .0512(11) Uani d P  .735(4) A 1 C
    H12A  .3364  .1441  .1338  .061 Uiso calc PR  .735(4) A 1 H
    H12B  .3513  .0740  .0725  .061 Uiso calc PR  .735(4) A 1 H
    C13  .1984(5)  .0829(3)  .1040(3)  .0855(14) Uani d . 1 A 1 C
    H13A  .1650  .1012  .1570  .103 Uiso calc R 1 A 1 H
    H13B  .1800  .0301  .0967  .103 Uiso calc R 1 A 1 H
    C14  .1396(6)  .1223(4)  .0154(5)  .0765(17) Uani d P  .735(4) A 1 C
    H14A  .1668  .1738  .0215  .092 Uiso calc PR  .735(4) A 1 H
    H14B  .1706  .1007  -.0370  .092 Uiso calc PR  .735(4) A 1 H
    C15  .0218(6)  .1245(4)  -.0123(4)  .120(2) Uani d . 1 A 1 C
    H15A  -.0109  .0768  -.0006  .181 Uiso calc R 1 A 1 H
    H15B  .0016  .1358  -.0793  .181 Uiso calc R 1 A 1 H
    H15C  -.0099  .1624  .0232  .181 Uiso calc R 1 A 1 H
    C16  .3422(4)  .0747(2)  .3011(3)  .0463(10) Uani d P  .735(4) A 1 C
    H16A  .2664  .0497  .2956  .056 Uiso calc PR  .735(4) A 1 H
    H16B  .3943  .0536  .3566  .056 Uiso calc PR  .735(4) A 1 H
    C17  .3245(4)  .1500(2)  .3219(3)  .0691(11) Uani d . 1 A 1 C
    H17A  .2672  .1709  .2695  .083 Uiso calc R 1 A 1 H
    H17B  .3986  .1764  .3243  .083 Uiso calc R 1 A 1 H
    C18  .2837(5)  .1649(3)  .4104(4)  .0584(13) Uani d P  .735(4) A 1 C
    H18A  .2113  .1365  .4080  .070 Uiso calc PR  .735(4) A 1 H
    H18B  .3423  .1441  .4621  .070 Uiso calc PR  .735(4) A 1 H
    C19  .2610(4)  .2385(3)  .4364(3)  .0841(14) Uani d . 1 A 1 C
    H19A  .3278  .2696  .4322  .126 Uiso calc R 1 A 1 H
    H19B  .2478  .2390  .5008  .126 Uiso calc R 1 A 1 H
    H19C  .1919  .2572  .3939  .126 Uiso calc R 1 A 1 H
    B1  .3694(3)  .39770(19)  .1616(2)  .0443(8) Uani d . 1 . . B
    H1  .3023  .4172  .1871  .054(10) Uiso d R 1 . . H
    B2  .3541(3)  .31217(17)  .1022(2)  .0386(7) Uani d . 1 . . B
    H2  .2782  .2857  .1207  .069(11) Uiso d R 1 . . H
    B3  .4709(3)  .3269(2)  .1977(3)  .0464(8) Uani d . 1 . . B
    H3  .4608  .2916  .2627  .086(14) Uiso d R 1 . . H
    B4  .5142(4)  .4211(2)  .2168(3)  .0526(9) Uani d . 1 . . B
    H4  .5321  .4466  .2917  .060(11) Uiso d R 1 . . H
    B5  .3307(3)  .39714(17)  .0401(2)  .0383(7) Uani d . 1 . . B
    H5  .3932  .3988  -.0170  .055(10) Uiso d R 1 . . H
    B7  .4987(3)  .28217(19)  .0983(3)  .0453(8) Uani d . 1 . . B
    HB7A  .5313  .2252  .1112  .047(9) Uiso d R 1 . . H
    HB7B  .5254  .2993  .0281  .062(11) Uiso d R 1 . . H
    B8  .6046(4)  .3556(2)  .1774(3)  .0561(10) Uani d . 1 . . B
    HB8A  .6982  .3327  .2251  .079(13) Uiso d R 1 . . H
    HB8B  .6259  .3869  .1064  .051(9) Uiso d R 1 . . H
    B9  .5933(4)  .4469(2)  .1351(3)  .0579(11) Uani d . 1 . . B
    H9  .6672  .4881  .1527  .085(13) Uiso d R 1 . . H
    B10  .4420(3)  .46774(19)  .1141(2)  .0453(8) Uani d . 1 . . B
    HB10A  .5181  .4559  .0580  .066(11) Uiso d R 1 . . H
    HB10B  .4224  .5244  .1077  .045(8) Uiso d R 1 . . H
    C41  .4742(14)  .0489(8)  .1444(11)  .064(4) Uiso d P  .265(4) A 2 C
    C81  .4310(14)  -.0156(10)  .2847(11)  .069(4) Uiso d P  .265(4) A 2 C
    C91  .414(2)  -.0893(15)  .2368(19)  .103(7) Uiso d P  .265(4) A 2 C
    C121  .2699(11)  .0328(7)  .1631(9)  .050(3) Uiso d P  .265(4) A 2 C
    C141  .0977(12)  .0805(8)  .0510(9)  .051(3) Uiso d P  .265(4) A 2 C
    C161  .4066(11)  .1187(7)  .2697(9)  .048(3) Uiso d P  .265(4) A 2 C
    C181  .3429(14)  .1975(9)  .3897(11)  .065(4) Uiso d P  .265(4) A 2 C
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Br1 B5 . 2.025(3) y
    Mn1 C2 . 1.789(4) y
    Mn1 C3 . 1.793(3) y
    Mn1 C1 . 1.802(3) y
    Mn1 B7 . 2.221(4) y
    Mn1 B2 . 2.224(3) y
    Mn1 B5 . 2.236(3) y
    O1 C1 . 1.149(4) ?
    O2 C2 . 1.152(4) ?
    O3 C3 . 1.151(4) ?
    N1 C161 . 1.433(13) ?
    N1 C8 . 1.497(5) ?
    N1 C4 . 1.502(5) ?
    N1 C121 . 1.525(13) ?
    N1 C16 . 1.536(5) ?
    N1 C41 . 1.546(15) ?
    N1 C12 . 1.547(5) ?
    N1 C81 . 1.623(17) ?
    C4 C5 . 1.502(6) ?
    C5 C6 . 1.485(6) ?
    C6 C7 . 1.481(7) ?
    C8 C9 . 1.531(7) ?
    C9 C10 . 1.514(6) ?
    C10 C11 . 1.456(7) ?
    C12 C13 . 1.408(7) ?
    C13 C14 . 1.519(8) ?
    C14 C15 . 1.363(8) ?
    C16 C17 . 1.431(6) ?
    C17 C18 . 1.484(6) ?
    C18 C19 . 1.436(7) ?
    B1 B5 . 1.737(5) y
    B1 B10 . 1.753(5) y
    B1 B3 . 1.768(5) y
    B1 B2 . 1.777(5) y
    B1 B4 . 1.785(6) y
    B2 B3 . 1.771(5) y
    B2 B5 . 1.789(4) y
    B2 B7 . 1.797(5) y
    B3 B8 . 1.736(6) y
    B3 B7 . 1.748(5) y
    B3 B4 . 1.801(5) y
    B4 B9 . 1.713(6) y
    B4 B8 . 1.769(7) y
    B4 B10 . 1.782(5) y
    B5 B10 . 1.994(5) y
    B7 B8 . 2.027(6) y
    B8 B9 . 1.773(5) y
    B9 B10 . 1.784(6) y
    C81 C91 . 1.51(3) ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C2 Mn1 C3 . . 88.47(15) ?
    C2 Mn1 C1 . . 93.30(16) ?
    C3 Mn1 C1 . . 92.13(14) ?
    C2 Mn1 B7 . . 139.58(15) ?
    C3 Mn1 B7 . . 82.98(15) ?
    C1 Mn1 B7 . . 126.32(15) ?
    C2 Mn1 B2 . . 97.18(14) ?
    C3 Mn1 B2 . . 103.43(13) ?
    C1 Mn1 B2 . . 161.40(14) ?
    B7 Mn1 B2 . . 47.69(13) ?
    C2 Mn1 B5 . . 87.14(14) ?
    C3 Mn1 B5 . . 149.36(13) ?
    C1 Mn1 B5 . . 118.38(13) ?
    B7 Mn1 B5 . . 80.89(13) ?
    B2 Mn1 B5 . . 47.30(12) ?
    C161 N1 C8 . . 153.7(6) ?
    C161 N1 C4 . . 68.4(5) ?
    C8 N1 C4 . . 112.7(3) ?
    C161 N1 C121 . . 118.6(7) ?
    C8 N1 C121 . . 71.3(5) ?
    C4 N1 C121 . . 157.3(5) ?
    C161 N1 C16 . . 49.7(5) ?
    C8 N1 C16 . . 109.7(3) ?
    C4 N1 C16 . . 108.5(3) ?
    C121 N1 C16 . . 89.8(5) ?
    C161 N1 C41 . . 112.8(8) ?
    C8 N1 C41 . . 83.9(6) ?
    C4 N1 C41 . . 52.3(6) ?
    C121 N1 C41 . . 108.1(8) ?
    C16 N1 C41 . . 160.6(6) ?
    C161 N1 C12 . . 94.1(5) ?
    C8 N1 C12 . . 109.8(3) ?
    C4 N1 C12 . . 107.0(3) ?
    C121 N1 C12 . . 52.8(5) ?
    C16 N1 C12 . . 109.1(3) ?
    C41 N1 C12 . . 77.6(6) ?
    C161 N1 C81 . . 107.9(8) ?
    C8 N1 C81 . . 46.5(6) ?
    C4 N1 C81 . . 92.8(6) ?
    C121 N1 C81 . . 104.3(8) ?
    C16 N1 C81 . . 78.0(6) ?
    C41 N1 C81 . . 103.9(8) ?
    C12 N1 C81 . . 154.7(6) ?
    O1 C1 Mn1 . . 178.6(3) ?
    O2 C2 Mn1 . . 176.1(3) ?
    O3 C3 Mn1 . . 178.7(3) ?
    C5 C4 N1 . . 116.7(3) ?
    C6 C5 C4 . . 113.2(4) ?
    C7 C6 C5 . . 114.8(4) ?
    N1 C8 C9 . . 115.0(4) ?
    C10 C9 C8 . . 112.8(4) ?
    C11 C10 C9 . . 114.1(5) ?
    C13 C12 N1 . . 120.8(4) ?
    C12 C13 C14 . . 115.1(5) ?
    C15 C14 C13 . . 122.0(6) ?
    C17 C16 N1 . . 121.0(3) ?
    C16 C17 C18 . . 116.4(4) ?
    C19 C18 C17 . . 120.6(5) ?
    B5 B1 B10 . . 69.7(2) ?
    B5 B1 B3 . . 108.9(3) ?
    B10 B1 B3 . . 107.4(3) ?
    B5 B1 B2 . . 61.21(19) ?
    B10 B1 B2 . . 117.4(3) ?
    B3 B1 B2 . . 60.0(2) ?
    B5 B1 B4 . . 119.6(3) ?
    B10 B1 B4 . . 60.5(2) ?
    B3 B1 B4 . . 60.9(2) ?
    B2 B1 B4 . . 115.2(3) ?
    B3 B2 B1 . . 59.8(2) ?
    B3 B2 B5 . . 106.5(2) ?
    B1 B2 B5 . . 58.30(18) ?
    B3 B2 B7 . . 58.7(2) ?
    B1 B2 B7 . . 106.1(2) ?
    B5 B2 B7 . . 107.5(2) ?
    B3 B2 Mn1 . . 118.8(2) ?
    B1 B2 Mn1 . . 118.68(19) ?
    B5 B2 Mn1 . . 66.68(15) ?
    B7 B2 Mn1 . . 66.06(15) ?
    B8 B3 B7 . . 71.1(2) ?
    B8 B3 B1 . . 108.0(3) ?
    B7 B3 B1 . . 108.7(2) ?
    B8 B3 B2 . . 119.9(3) ?
    B7 B3 B2 . . 61.4(2) ?
    B1 B3 B2 . . 60.3(2) ?
    B8 B3 B4 . . 60.0(2) ?
    B7 B3 B4 . . 118.7(3) ?
    B1 B3 B4 . . 60.0(2) ?
    B2 B3 B4 . . 114.7(2) ?
    B9 B4 B8 . . 61.2(2) ?
    B9 B4 B10 . . 61.3(2) ?
    B8 B4 B10 . . 105.6(3) ?
    B9 B4 B1 . . 110.6(3) ?
    B8 B4 B1 . . 105.8(3) ?
    B10 B4 B1 . . 58.9(2) ?
    B9 B4 B3 . . 109.3(3) ?
    B8 B4 B3 . . 58.2(2) ?
    B10 B4 B3 . . 104.7(2) ?
    B1 B4 B3 . . 59.1(2) ?
    B1 B5 B2 . . 60.49(19) ?
    B1 B5 B10 . . 55.53(18) ?
    B2 B5 B10 . . 105.6(2) ?
    B1 B5 Br1 . . 112.1(2) ?
    B2 B5 Br1 . . 125.9(2) ?
    B10 B5 Br1 . . 110.62(18) ?
    B1 B5 Mn1 . . 120.0(2) ?
    B2 B5 Mn1 . . 66.02(14) ?
    B10 B5 Mn1 . . 121.6(2) ?
    Br1 B5 Mn1 . . 120.32(16) ?
    B3 B7 B2 . . 59.9(2) ?
    B3 B7 B8 . . 54.2(2) ?
    B2 B7 B8 . . 105.0(2) ?
    B3 B7 Mn1 . . 120.1(2) ?
    B2 B7 Mn1 . . 66.25(16) ?
    B8 B7 Mn1 . . 124.4(2) ?
    B3 B8 B4 . . 61.8(2) ?
    B3 B8 B9 . . 109.6(3) ?
    B4 B8 B9 . . 57.8(2) ?
    B3 B8 B7 . . 54.7(2) ?
    B4 B8 B7 . . 106.9(3) ?
    B9 B8 B7 . . 115.4(3) ?
    B4 B9 B8 . . 61.0(2) ?
    B4 B9 B10 . . 61.2(2) ?
    B8 B9 B10 . . 105.3(3) ?
    B1 B10 B4 . . 60.6(2) ?
    B1 B10 B9 . . 108.8(3) ?
    B4 B10 B9 . . 57.4(2) ?
    B1 B10 B5 . . 54.78(18) ?
    B4 B10 B5 . . 107.3(2) ?
    B9 B10 B5 . . 118.6(3) ?
    C91 C81 N1 . . 113.7(14) ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    C2 Mn1 C1 O1 . . . . 126(14) ?
    C3 Mn1 C1 O1 . . . . -146(14) ?
    B7 Mn1 C1 O1 . . . . -63(14) ?
    B2 Mn1 C1 O1 . . . . 1(15) ?
    B5 Mn1 C1 O1 . . . . 37(14) ?
    C3 Mn1 C2 O2 . . . . 32(5) ?
    C1 Mn1 C2 O2 . . . . 124(5) ?
    B7 Mn1 C2 O2 . . . . -46(5) ?
    B2 Mn1 C2 O2 . . . . -72(5) ?
    B5 Mn1 C2 O2 . . . . -118(5) ?
    C2 Mn1 C3 O3 . . . . -26(13) ?
    C1 Mn1 C3 O3 . . . . -119(13) ?
    B7 Mn1 C3 O3 . . . . 115(13) ?
    B2 Mn1 C3 O3 . . . . 71(13) ?
    B5 Mn1 C3 O3 . . . . 56(13) ?
    C161 N1 C4 C5 . . . . -156.6(6) ?
    C8 N1 C4 C5 . . . . 51.8(4) ?
    C121 N1 C4 C5 . . . . -44.0(15) ?
    C16 N1 C4 C5 . . . . 173.5(3) ?
    C41 N1 C4 C5 . . . . -10.2(8) ?
    C12 N1 C4 C5 . . . . -68.9(4) ?
    C81 N1 C4 C5 . . . . 95.2(7) ?
    N1 C4 C5 C6 . . . . -178.9(3) ?
    C4 C5 C6 C7 . . . . -177.7(4) ?
    C161 N1 C8 C9 . . . . -33.1(14) ?
    C4 N1 C8 C9 . . . . 53.8(4) ?
    C121 N1 C8 C9 . . . . -150.2(6) ?
    C16 N1 C8 C9 . . . . -67.3(5) ?
    C41 N1 C8 C9 . . . . 98.4(7) ?
    C12 N1 C8 C9 . . . . 172.9(3) ?
    C81 N1 C8 C9 . . . . -17.3(8) ?
    N1 C8 C9 C10 . . . . 170.2(3) ?
    C8 C9 C10 C11 . . . . -179.5(4) ?
    C161 N1 C12 C13 . . . . -102.9(6) ?
    C8 N1 C12 C13 . . . . 65.9(5) ?
    C4 N1 C12 C13 . . . . -171.5(4) ?
    C121 N1 C12 C13 . . . . 20.3(7) ?
    C16 N1 C12 C13 . . . . -54.3(5) ?
    C41 N1 C12 C13 . . . . 144.7(7) ?
    C81 N1 C12 C13 . . . . 48.4(16) ?
    N1 C12 C13 C14 . . . . -179.2(4) ?
    C12 C13 C14 C15 . . . . -174.8(6) ?
    C161 N1 C16 C17 . . . . 27.1(7) ?
    C8 N1 C16 C17 . . . . -172.0(4) ?
    C4 N1 C16 C17 . . . . 64.5(5) ?
    C121 N1 C16 C17 . . . . -101.9(6) ?
    C41 N1 C16 C17 . . . . 56(2) ?
    C12 N1 C16 C17 . . . . -51.7(5) ?
    C81 N1 C16 C17 . . . . 153.4(7) ?
    N1 C16 C17 C18 . . . . -176.0(4) ?
    C16 C17 C18 C19 . . . . -178.6(5) ?
    B5 B1 B2 B3 . . . . 138.2(3) ?
    B10 B1 B2 B3 . . . . 95.1(3) ?
    B4 B1 B2 B3 . . . . 26.8(2) ?
    B10 B1 B2 B5 . . . . -43.1(3) ?
    B3 B1 B2 B5 . . . . -138.2(3) ?
    B4 B1 B2 B5 . . . . -111.4(3) ?
    B5 B1 B2 B7 . . . . 100.9(2) ?
    B10 B1 B2 B7 . . . . 57.8(3) ?
    B3 B1 B2 B7 . . . . -37.3(2) ?
    B4 B1 B2 B7 . . . . -10.5(3) ?
    B5 B1 B2 Mn1 . . . . 29.7(2) ?
    B10 B1 B2 Mn1 . . . . -13.3(4) ?
    B3 B1 B2 Mn1 . . . . -108.5(2) ?
    B4 B1 B2 Mn1 . . . . -81.7(3) ?
    C2 Mn1 B2 B3 . . . . -176.0(2) ?
    C3 Mn1 B2 B3 . . . . 93.9(2) ?
    C1 Mn1 B2 B3 . . . . -52.2(5) ?
    B7 Mn1 B2 B3 . . . . 26.7(2) ?
    B5 Mn1 B2 B3 . . . . -96.6(3) ?
    C2 Mn1 B2 B1 . . . . -106.7(3) ?
    C3 Mn1 B2 B1 . . . . 163.1(2) ?
    C1 Mn1 B2 B1 . . . . 17.1(6) ?
    B7 Mn1 B2 B1 . . . . 95.9(3) ?
    B5 Mn1 B2 B1 . . . . -27.4(2) ?
    C2 Mn1 B2 B5 . . . . -79.36(18) ?
    C3 Mn1 B2 B5 . . . . -169.50(18) ?
    C1 Mn1 B2 B5 . . . . 44.4(5) ?
    B7 Mn1 B2 B5 . . . . 123.3(2) ?
    C2 Mn1 B2 B7 . . . . 157.36(17) ?
    C3 Mn1 B2 B7 . . . . 67.22(19) ?
    C1 Mn1 B2 B7 . . . . -78.8(5) ?
    B5 Mn1 B2 B7 . . . . -123.3(2) ?
    B5 B1 B3 B8 . . . . 76.6(3) ?
    B10 B1 B3 B8 . . . . 2.7(3) ?
    B2 B1 B3 B8 . . . . 114.8(3) ?
    B4 B1 B3 B8 . . . . -37.4(3) ?
    B5 B1 B3 B7 . . . . 1.1(3) ?
    B10 B1 B3 B7 . . . . -72.8(3) ?
    B2 B1 B3 B7 . . . . 39.2(2) ?
    B4 B1 B3 B7 . . . . -113.0(3) ?
    B5 B1 B3 B2 . . . . -38.1(2) ?
    B10 B1 B3 B2 . . . . -112.1(3) ?
    B4 B1 B3 B2 . . . . -152.2(3) ?
    B5 B1 B3 B4 . . . . 114.0(3) ?
    B10 B1 B3 B4 . . . . 40.1(2) ?
    B2 B1 B3 B4 . . . . 152.2(3) ?
    B1 B2 B3 B8 . . . . -94.6(3) ?
    B5 B2 B3 B8 . . . . -58.4(4) ?
    B7 B2 B3 B8 . . . . 42.4(3) ?
    Mn1 B2 B3 B8 . . . . 13.6(4) ?
    B1 B2 B3 B7 . . . . -137.0(2) ?
    B5 B2 B3 B7 . . . . -100.7(2) ?
    Mn1 B2 B3 B7 . . . . -28.7(2) ?
    B5 B2 B3 B1 . . . . 36.3(2) ?
    B7 B2 B3 B1 . . . . 137.0(2) ?
    Mn1 B2 B3 B1 . . . . 108.3(2) ?
    B1 B2 B3 B4 . . . . -26.4(3) ?
    B5 B2 B3 B4 . . . . 9.9(4) ?
    B7 B2 B3 B4 . . . . 110.6(3) ?
    Mn1 B2 B3 B4 . . . . 81.9(3) ?
    B5 B1 B4 B9 . . . . 4.4(4) ?
    B10 B1 B4 B9 . . . . -34.3(3) ?
    B3 B1 B4 B9 . . . . 100.7(3) ?
    B2 B1 B4 B9 . . . . 74.2(4) ?
    B5 B1 B4 B8 . . . . -60.2(3) ?
    B10 B1 B4 B8 . . . . -98.9(3) ?
    B3 B1 B4 B8 . . . . 36.1(2) ?
    B2 B1 B4 B8 . . . . 9.6(3) ?
    B5 B1 B4 B10 . . . . 38.7(3) ?
    B3 B1 B4 B10 . . . . 135.0(3) ?
    B2 B1 B4 B10 . . . . 108.5(3) ?
    B5 B1 B4 B3 . . . . -96.4(3) ?
    B10 B1 B4 B3 . . . . -135.0(3) ?
    B2 B1 B4 B3 . . . . -26.5(2) ?
    B8 B3 B4 B9 . . . . 35.1(3) ?
    B7 B3 B4 B9 . . . . -7.0(4) ?
    B1 B3 B4 B9 . . . . -103.0(3) ?
    B2 B3 B4 B9 . . . . -76.6(4) ?
    B7 B3 B4 B8 . . . . -42.1(3) ?
    B1 B3 B4 B8 . . . . -138.1(3) ?
    B2 B3 B4 B8 . . . . -111.6(3) ?
    B8 B3 B4 B10 . . . . 99.4(3) ?
    B7 B3 B4 B10 . . . . 57.3(4) ?
    B1 B3 B4 B10 . . . . -38.7(3) ?
    B2 B3 B4 B10 . . . . -12.2(4) ?
    B8 B3 B4 B1 . . . . 138.1(3) ?
    B7 B3 B4 B1 . . . . 96.1(3) ?
    B2 B3 B4 B1 . . . . 26.5(3) ?
    B10 B1 B5 B2 . . . . 139.7(3) ?
    B3 B1 B5 B2 . . . . 37.6(2) ?
    B4 B1 B5 B2 . . . . 104.3(3) ?
    B3 B1 B5 B10 . . . . -102.1(3) ?
    B2 B1 B5 B10 . . . . -139.7(3) ?
    B4 B1 B5 B10 . . . . -35.4(3) ?
    B10 B1 B5 Br1 . . . . -100.5(2) ?
    B3 B1 B5 Br1 . . . . 157.4(2) ?
    B2 B1 B5 Br1 . . . . 119.8(2) ?
    B4 B1 B5 Br1 . . . . -135.9(3) ?
    B10 B1 B5 Mn1 . . . . 109.7(2) ?
    B3 B1 B5 Mn1 . . . . 7.6(3) ?
    B2 B1 B5 Mn1 . . . . -30.0(2) ?
    B4 B1 B5 Mn1 . . . . 74.3(3) ?
    B3 B2 B5 B1 . . . . -36.9(2) ?
    B7 B2 B5 B1 . . . . -98.5(3) ?
    Mn1 B2 B5 B1 . . . . -151.7(2) ?
    B3 B2 B5 B10 . . . . -3.3(3) ?
    B1 B2 B5 B10 . . . . 33.6(2) ?
    B7 B2 B5 B10 . . . . -64.9(3) ?
    Mn1 B2 B5 B10 . . . . -118.1(2) ?
    B3 B2 B5 Br1 . . . . -134.1(2) ?
    B1 B2 B5 Br1 . . . . -97.2(3) ?
    B7 B2 B5 Br1 . . . . 164.3(2) ?
    Mn1 B2 B5 Br1 . . . . 111.1(2) ?
    B3 B2 B5 Mn1 . . . . 114.8(2) ?
    B1 B2 B5 Mn1 . . . . 151.7(2) ?
    B7 B2 B5 Mn1 . . . . 53.22(19) ?
    C2 Mn1 B5 B1 . . . . 130.9(3) ?
    C3 Mn1 B5 B1 . . . . 48.8(4) ?
    C1 Mn1 B5 B1 . . . . -136.9(2) ?
    B7 Mn1 B5 B1 . . . . -10.3(2) ?
    B2 Mn1 B5 B1 . . . . 28.4(2) ?
    C2 Mn1 B5 B2 . . . . 102.49(18) ?
    C3 Mn1 B5 B2 . . . . 20.3(3) ?
    C1 Mn1 B5 B2 . . . . -165.29(18) ?
    B7 Mn1 B5 B2 . . . . -38.76(17) ?
    C2 Mn1 B5 B10 . . . . -163.4(2) ?
    C3 Mn1 B5 B10 . . . . 114.5(3) ?
    C1 Mn1 B5 B10 . . . . -71.2(3) ?
    B7 Mn1 B5 B10 . . . . 55.3(2) ?
    B2 Mn1 B5 B10 . . . . 94.1(3) ?
    C2 Mn1 B5 Br1 . . . . -16.40(19) ?
    C3 Mn1 B5 Br1 . . . . -98.5(3) ?
    C1 Mn1 B5 Br1 . . . . 75.8(2) ?
    B7 Mn1 B5 Br1 . . . . -157.65(19) ?
    B2 Mn1 B5 Br1 . . . . -118.9(2) ?
    B8 B3 B7 B2 . . . . -141.9(2) ?
    B1 B3 B7 B2 . . . . -38.7(2) ?
    B4 B3 B7 B2 . . . . -104.1(3) ?
    B1 B3 B7 B8 . . . . 103.2(3) ?
    B2 B3 B7 B8 . . . . 141.9(2) ?
    B4 B3 B7 B8 . . . . 37.8(3) ?
    B8 B3 B7 Mn1 . . . . -112.7(3) ?
    B1 B3 B7 Mn1 . . . . -9.5(3) ?
    B2 B3 B7 Mn1 . . . . 29.2(2) ?
    B4 B3 B7 Mn1 . . . . -74.9(4) ?
    B1 B2 B7 B3 . . . . 37.8(2) ?
    B5 B2 B7 B3 . . . . 99.0(2) ?
    Mn1 B2 B7 B3 . . . . 152.6(2) ?
    B3 B2 B7 B8 . . . . -31.2(2) ?
    B1 B2 B7 B8 . . . . 6.6(3) ?
    B5 B2 B7 B8 . . . . 67.8(3) ?
    Mn1 B2 B7 B8 . . . . 121.4(2) ?
    B3 B2 B7 Mn1 . . . . -152.6(2) ?
    B1 B2 B7 Mn1 . . . . -114.7(2) ?
    B5 B2 B7 Mn1 . . . . -53.58(19) ?
    C2 Mn1 B7 B3 . . . . -63.5(3) ?
    C3 Mn1 B7 B3 . . . . -142.8(3) ?
    C1 Mn1 B7 B3 . . . . 129.7(2) ?
    B2 Mn1 B7 B3 . . . . -27.4(2) ?
    B5 Mn1 B7 B3 . . . . 11.0(2) ?
    C2 Mn1 B7 B2 . . . . -36.1(3) ?
    C3 Mn1 B7 B2 . . . . -115.38(18) ?
    C1 Mn1 B7 B2 . . . . 157.14(17) ?
    B5 Mn1 B7 B2 . . . . 38.48(16) ?
    C2 Mn1 B7 B8 . . . . -128.5(3) ?
    C3 Mn1 B7 B8 . . . . 152.2(3) ?
    C1 Mn1 B7 B8 . . . . 64.7(3) ?
    B2 Mn1 B7 B8 . . . . -92.4(3) ?
    B5 Mn1 B7 B8 . . . . -53.9(3) ?
    B7 B3 B8 B4 . . . . 141.6(3) ?
    B1 B3 B8 B4 . . . . 37.4(2) ?
    B2 B3 B8 B4 . . . . 102.9(3) ?
    B7 B3 B8 B9 . . . . 107.8(3) ?
    B1 B3 B8 B9 . . . . 3.6(4) ?
    B2 B3 B8 B9 . . . . 69.1(4) ?
    B4 B3 B8 B9 . . . . -33.8(3) ?
    B1 B3 B8 B7 . . . . -104.2(3) ?
    B2 B3 B8 B7 . . . . -38.7(3) ?
    B4 B3 B8 B7 . . . . -141.6(3) ?
    B9 B4 B8 B3 . . . . -141.7(3) ?
    B10 B4 B8 B3 . . . . -97.9(3) ?
    B1 B4 B8 B3 . . . . -36.5(2) ?
    B10 B4 B8 B9 . . . . 43.9(2) ?
    B1 B4 B8 B9 . . . . 105.2(3) ?
    B3 B4 B8 B9 . . . . 141.7(3) ?
    B9 B4 B8 B7 . . . . -109.7(3) ?
    B10 B4 B8 B7 . . . . -65.9(3) ?
    B1 B4 B8 B7 . . . . -4.5(3) ?
    B3 B4 B8 B7 . . . . 32.0(2) ?
    B2 B7 B8 B3 . . . . 33.6(2) ?
    Mn1 B7 B8 B3 . . . . 104.8(3) ?
    B3 B7 B8 B4 . . . . -34.9(2) ?
    B2 B7 B8 B4 . . . . -1.3(3) ?
    Mn1 B7 B8 B4 . . . . 69.9(3) ?
    B3 B7 B8 B9 . . . . -96.8(4) ?
    B2 B7 B8 B9 . . . . -63.2(4) ?
    Mn1 B7 B8 B9 . . . . 8.0(4) ?
    B10 B4 B9 B8 . . . . -130.5(3) ?
    B1 B4 B9 B8 . . . . -97.2(3) ?
    B3 B4 B9 B8 . . . . -33.9(3) ?
    B8 B4 B9 B10 . . . . 130.5(3) ?
    B1 B4 B9 B10 . . . . 33.3(3) ?
    B3 B4 B9 B10 . . . . 96.6(3) ?
    B3 B8 B9 B4 . . . . 35.4(3) ?
    B7 B8 B9 B4 . . . . 94.7(3) ?
    B3 B8 B9 B10 . . . . -8.3(4) ?
    B4 B8 B9 B10 . . . . -43.7(3) ?
    B7 B8 B9 B10 . . . . 51.0(4) ?
    B5 B1 B10 B4 . . . . -144.6(3) ?
    B3 B1 B10 B4 . . . . -40.3(3) ?
    B2 B1 B10 B4 . . . . -105.0(3) ?
    B5 B1 B10 B9 . . . . -112.3(3) ?
    B3 B1 B10 B9 . . . . -8.0(3) ?
    B2 B1 B10 B9 . . . . -72.6(4) ?
    B4 B1 B10 B9 . . . . 32.3(3) ?
    B3 B1 B10 B5 . . . . 104.3(3) ?
    B2 B1 B10 B5 . . . . 39.6(2) ?
    B4 B1 B10 B5 . . . . 144.6(3) ?
    B9 B4 B10 B1 . . . . 143.1(3) ?
    B8 B4 B10 B1 . . . . 99.3(3) ?
    B3 B4 B10 B1 . . . . 38.8(2) ?
    B8 B4 B10 B9 . . . . -43.8(3) ?
    B1 B4 B10 B9 . . . . -143.1(3) ?
    B3 B4 B10 B9 . . . . -104.3(3) ?
    B9 B4 B10 B5 . . . . 113.4(3) ?
    B8 B4 B10 B5 . . . . 69.6(3) ?
    B1 B4 B10 B5 . . . . -29.7(2) ?
    B3 B4 B10 B5 . . . . 9.1(3) ?
    B4 B9 B10 B1 . . . . -33.6(3) ?
    B8 B9 B10 B1 . . . . 10.0(4) ?
    B8 B9 B10 B4 . . . . 43.6(3) ?
    B4 B9 B10 B5 . . . . -93.1(3) ?
    B8 B9 B10 B5 . . . . -49.5(4) ?
    B2 B5 B10 B1 . . . . -35.7(2) ?
    Br1 B5 B10 B1 . . . . 103.3(2) ?
    Mn1 B5 B10 B1 . . . . -106.8(3) ?
    B1 B5 B10 B4 . . . . 31.9(3) ?
    B2 B5 B10 B4 . . . . -3.8(3) ?
    Br1 B5 B10 B4 . . . . 135.2(2) ?
    Mn1 B5 B10 B4 . . . . -74.9(3) ?
    B1 B5 B10 B9 . . . . 93.7(3) ?
    B2 B5 B10 B9 . . . . 58.0(3) ?
    Br1 B5 B10 B9 . . . . -163.0(2) ?
    Mn1 B5 B10 B9 . . . . -13.1(4) ?
    C161 N1 C81 C91 . . . . 177.1(14) ?
    C8 N1 C81 C91 . . . . 4.4(11) ?
    C4 N1 C81 C91 . . . . -114.7(14) ?
    C121 N1 C81 C91 . . . . 50.2(15) ?
    C16 N1 C81 C91 . . . . 136.9(14) ?
    C41 N1 C81 C91 . . . . -62.9(15) ?
    C12 N1 C81 C91 . . . . 27(2) ?
data_morsot
_journal_date_recd_electronic     2000-08-08
_journal_date_accepted     2000-12-06
_journal_name_full     'Acta Crystallographica, Section C'
_journal_year     2001
_journal_volume     57
_journal_issue      3
_journal_page_first     269
_journal_page_last     270
_journal_paper_category     FM
_publ_contact_author_name     'Alan Kennedy'
_publ_contact_author_address
;
Dept. of P & A Chemistry
University of Strathclyde
295 Cathedral St
Glasgow G1 1XL
Scotland
;
_publ_contact_author_email     ' a.r.kennedy@strath.ac.uk '
_publ_contact_author_fax     '0141 552 5664 '
_publ_contact_author_phone     ' 0141 548 2016'
_publ_section_title
;
A nido-6-manganadecaborane salt
;
loop_
    _publ_author_name
    _publ_author_address
    'Kennedy, Alan R. '
;
Department of Pure and Applied Chemistry
University of Strathclyde
Glasgow G1 1XL
Scotland
;
    'Morris, John H.'
;
Department of Pure and Applied Chemistry
University of Strathclyde
Glasgow G1 1XL
Scotland
;
