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data_2


_vrf_PLAT220_2                   
;  
PROBLEM: Large Non-Solvent    C     Ueq(max)/Ueq(min) ...        4.4 Ratio
RESPONSE: 
  Most of the lignads in this structure (i.e. cyclopentadienyl, t-butyl) 
  show rotational and translational vibration. This causes that all 
  non-ipso atoms have much larger ADPs than the ipso-atoms.
;

_vrf_PLAT926_2                   
;  
PROBLEM: Reported and Calculated   R1 Differ by .........    -0.0113
RESPONSE: 
Crystal is a racemic twin. At current stage the cif-dictionary (and ofr this 
reason also Platon/checkCIF) is not supporting twinned data. 
;

_vrf_PLAT927_2                   
;  
PROBLEM: Reported and Calculated  wR2 Differ by .........    -0.0261 
RESPONSE: 
Crystal is a racemic twin. At current stage the cif-dictionary (and ofr this 
reason also Platon/checkCIF) is not supporting twinned data. 
;

_vrf_PLAT928_2                   
;  
PROBLEM: Reported and Calculated    S value   Differ by .     -0.390  
RESPONSE: 
Crystal is a racemic twin. At current stage the cif-dictionary (and ofr this 
reason also Platon/checkCIF) is not supporting twinned data. 
;

_vrf_PLAT034_2                   
;  
PROBLEM: No Flack Parameter Given. Z > Si, NonCentro ....          ? Do ! 
RESPONSE: 
Crystal is a racemic twin (BASF refined to value of 0.57762).
;

_vrf_PLAT213_2                   
;  
PROBLEM: Atom C1_12           has ADP max/min Ratio .....        3.4 prola
         Atom C3_12           has ADP max/min Ratio .....        3.9 prola
RESPONSE: 
  These atoms belongs to cyclopentadienyl rest that shows translational and 
  rotational vibration. 
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
?
;
_chemical_name_common            
;
?
;
_chemical_melting_point          ?
_chemical_formula_moiety         'C29 H29 Au B Cl Mn O2 P'

_chemical_formula_sum            'C29 H29 Au B Cl Mn O2 P'
_chemical_formula_weight         738.66

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   P2(1)2(1)2(1)
_symmetry_space_group_name_Hall  'P 2ac 2ab'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   11.0391(5)
_cell_length_b                   16.4909(8)
_cell_length_c                   30.2689(14)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     5510.3(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    7964
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      23.41

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.781
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2880
_exptl_absorpt_coefficient_mu    5.957
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5136
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   'Sadabs 2008/1 (Bruker 2008)'

_exptl_special_details           
; 
 The crystal was immersed in a film of perfluoropolyether oil, mounted
on a polyimide microloop (MicroMounts of MiTeGen) and transferred to
stream of cold nitrogen (Oxford Cryostream 700). 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_measurement_device_type  'Bruker X8-APEX II'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            91988
_diffrn_reflns_av_R_equivalents  0.0688
_diffrn_reflns_av_sigmaI/netI    0.0441
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_theta_min         1.35
_diffrn_reflns_theta_max         26.79
_reflns_number_total             11730
_reflns_number_gt                10404
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 ver. 2010.3 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. 7.68A (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 7.68A (Bruker AXS)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP ver. 5.1 (Bruker AXS, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_refine_special_details          
; 
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F^2^, conventional R-factors R are based 
 on F, with F set to zero for negative F^2^. The threshold expression of 
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
 Crystal was refined as racemic twin with BASF parameter of 0.58.
 The ADPs of cymantrene-moiety points on small rotational freedom around 
 manganise atom. This disorder was not refine, as chemicaly it does not
 change our understanding of geometry but numerically it would require
 an ample ampount of restarins and constrains.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0190P)^2^+18.8872P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11730
_refine_ls_number_parameters     656
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0445
_refine_ls_R_factor_gt           0.0365
_refine_ls_wR_factor_ref         0.0734
_refine_ls_wR_factor_gt          0.0711
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_restrained_S_all      1.097
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1_1 Mn 0.29105(10) 0.95405(6) 0.32818(3) 0.0229(2) Uani 1 1 d . . .
C2_1 C 0.1879(9) 0.9848(5) 0.2875(3) 0.043(2) Uani 1 1 d . . .
O2_1 O 0.1257(6) 1.0047(4) 0.2586(2) 0.059(2) Uani 1 1 d . . .
C1_1 C 0.3489(7) 1.0547(5) 0.3309(2) 0.0284(17) Uani 1 1 d . . .
O1_1 O 0.3940(5) 1.1172(3) 0.33005(19) 0.0362(14) Uani 1 1 d . . .
Au1_1 Au 0.08693(2) 0.912652(14) 0.360816(9) 0.02013(6) Uani 1 1 d . . .
P1_1 P -0.09055(18) 0.85059(10) 0.38100(6) 0.0193(4) Uani 1 1 d . . .
B1_1 B 0.2234(8) 1.0063(5) 0.3875(3) 0.0258(19) Uani 1 1 d U . .
Cl1_1 Cl 0.2958(2) 0.96548(14) 0.43846(7) 0.0422(5) Uani 1 1 d . . .
C1_2 C 0.3460(7) 0.8383(4) 0.3555(3) 0.040(2) Uani 1 1 d . . .
H1_2 H 0.3110 0.8143 0.3810 0.048 Uiso 1 1 calc R . .
C2_2 C 0.4456(6) 0.8901(4) 0.3547(3) 0.0340(19) Uani 1 1 d . . .
H2_2 H 0.4907 0.9069 0.3798 0.041 Uiso 1 1 calc R . .
C3_2 C 0.4687(8) 0.9137(5) 0.3105(3) 0.0394(19) Uani 1 1 d . . .
H3_2 H 0.5305 0.9497 0.3010 0.047 Uiso 1 1 calc R . .
C4_2 C 0.3834(8) 0.8741(6) 0.2832(3) 0.047(2) Uani 1 1 d . . .
H4_2 H 0.3783 0.8776 0.2519 0.057 Uiso 1 1 calc R . .
C5_2 C 0.3067(8) 0.8278(5) 0.3114(4) 0.048(3) Uani 1 1 d . . .
H5_2 H 0.2402 0.7954 0.3021 0.058 Uiso 1 1 calc R . .
C1_3 C 0.1534(7) 1.0888(5) 0.3997(3) 0.039(2) Uani 1 1 d . . .
C2_3 C 0.0540(8) 1.0704(6) 0.4340(3) 0.051(3) Uani 1 1 d . . .
H2A_3 H 0.0915 1.0509 0.4614 0.077 Uiso 1 1 calc R . .
H2B_3 H -0.0006 1.0286 0.4224 0.077 Uiso 1 1 calc R . .
H2C_3 H 0.0078 1.1199 0.4401 0.077 Uiso 1 1 calc R . .
C3_3 C 0.0926(8) 1.1256(5) 0.3557(3) 0.054(2) Uani 1 1 d U . .
H3A_3 H 0.0358 1.1687 0.3638 0.080 Uiso 1 1 calc R . .
H3B_3 H 0.0491 1.0825 0.3399 0.080 Uiso 1 1 calc R . .
H3C_3 H 0.1560 1.1478 0.3365 0.080 Uiso 1 1 calc R . .
C4_3 C 0.2410(8) 1.1511(5) 0.4204(3) 0.047(2) Uani 1 1 d . . .
H4A_3 H 0.1969 1.2012 0.4270 0.070 Uiso 1 1 calc R . .
H4B_3 H 0.3069 1.1627 0.3997 0.070 Uiso 1 1 calc R . .
H4C_3 H 0.2747 1.1288 0.4478 0.070 Uiso 1 1 calc R . .
C1_4 C -0.1615(7) 0.7876(4) 0.3388(2) 0.0194(15) Uani 1 1 d . . .
C2_4 C -0.2846(7) 0.7791(4) 0.3348(2) 0.0263(18) Uani 1 1 d . . .
H2_4 H -0.3368 0.8091 0.3537 0.032 Uiso 1 1 calc R . .
C3_4 C -0.3335(7) 0.7273(4) 0.3037(2) 0.0252(16) Uani 1 1 d . . .
H3_4 H -0.4190 0.7227 0.3009 0.030 Uiso 1 1 calc R . .
C4_4 C -0.2602(7) 0.6829(4) 0.2771(3) 0.0276(18) Uani 1 1 d . . .
H4_4 H -0.2948 0.6463 0.2564 0.033 Uiso 1 1 calc R . .
C5_4 C -0.1344(7) 0.6904(4) 0.2797(2) 0.0254(17) Uani 1 1 d . . .
H5_4 H -0.0834 0.6602 0.2605 0.031 Uiso 1 1 calc R . .
C6_4 C -0.0853(7) 0.7425(4) 0.3107(2) 0.0243(15) Uani 1 1 d . . .
H6_4 H 0.0002 0.7478 0.3131 0.029 Uiso 1 1 calc R . .
C1_5 C -0.0745(7) 0.7837(4) 0.4284(2) 0.0226(16) Uani 1 1 d . . .
C2_5 C 0.0316(7) 0.7881(4) 0.4536(2) 0.0276(17) Uani 1 1 d . . .
H2_5 H 0.0948 0.8245 0.4458 0.033 Uiso 1 1 calc R . .
C3_5 C 0.0426(7) 0.7383(5) 0.4903(2) 0.0296(18) Uani 1 1 d . . .
H3_5 H 0.1145 0.7404 0.5075 0.035 Uiso 1 1 calc R . .
C4_5 C -0.0491(8) 0.6858(4) 0.5023(2) 0.0299(19) Uani 1 1 d . . .
H4_5 H -0.0408 0.6527 0.5279 0.036 Uiso 1 1 calc R . .
C5_5 C -0.1515(8) 0.6817(4) 0.4773(2) 0.0296(18) Uani 1 1 d . . .
H5_5 H -0.2141 0.6451 0.4855 0.036 Uiso 1 1 calc R . .
C6_5 C -0.1659(7) 0.7298(4) 0.4404(2) 0.0209(16) Uani 1 1 d . . .
H6_5 H -0.2377 0.7261 0.4233 0.025 Uiso 1 1 calc R . .
C1_6 C -0.2057(6) 0.9243(4) 0.3952(2) 0.0179(14) Uani 1 1 d . . .
C2_6 C -0.2639(6) 0.9250(4) 0.4360(2) 0.0234(15) Uani 1 1 d . . .
H2_6 H -0.2444 0.8854 0.4576 0.028 Uiso 1 1 calc R . .
C3_6 C -0.3491(8) 0.9827(4) 0.4449(3) 0.0313(18) Uani 1 1 d . . .
H3_6 H -0.3866 0.9837 0.4731 0.038 Uiso 1 1 calc R . .
C4_6 C -0.3822(7) 1.0402(4) 0.4135(3) 0.0289(18) Uani 1 1 d . . .
H4_6 H -0.4439 1.0787 0.4197 0.035 Uiso 1 1 calc R . .
C5_6 C -0.3244(7) 1.0404(4) 0.3734(2) 0.0314(19) Uani 1 1 d . . .
H5_6 H -0.3442 1.0800 0.3518 0.038 Uiso 1 1 calc R . .
C6_6 C -0.2377(6) 0.9829(4) 0.3647(3) 0.0273(16) Uani 1 1 d . . .
H6_6 H -0.1983 0.9834 0.3368 0.033 Uiso 1 1 calc R . .
Mn1_11 Mn 0.71916(12) 0.97036(8) 0.17560(4) 0.0332(3) Uani 1 1 d . . .
C1_11 C 0.7813(7) 1.0676(5) 0.1653(2) 0.035(2) Uani 1 1 d . . .
O1_11 O 0.8281(5) 1.1295(3) 0.16214(18) 0.0382(14) Uani 1 1 d . . .
C2_11 C 0.6005(9) 1.0162(6) 0.2065(3) 0.049(3) Uani 1 1 d . . .
O2_11 O 0.5218(7) 1.0476(4) 0.2275(2) 0.065(2) Uani 1 1 d . . .
Au1_11 Au 0.52438(2) 0.920756(15) 0.139938(9) 0.02222(6) Uani 1 1 d . . .
P1_11 P 0.35001(17) 0.85687(11) 0.11927(6) 0.0189(4) Uani 1 1 d . . .
B1_11 B 0.6694(9) 1.0032(6) 0.1109(3) 0.034(2) Uani 1 1 d . . .
Cl1_11 Cl 0.75361(19) 0.94458(13) 0.06768(7) 0.0412(5) Uani 1 1 d . . .
C1_12 C 0.7193(10) 0.8529(7) 0.2069(4) 0.076(4) Uani 1 1 d . . .
H1_12 H 0.6474 0.8262 0.2161 0.091 Uiso 1 1 calc R . .
C2_12 C 0.7907(10) 0.9056(8) 0.2319(4) 0.083(4) Uani 1 1 d . . .
H2_12 H 0.7773 0.9195 0.2619 0.099 Uiso 1 1 calc R . .
C3_12 C 0.8859(9) 0.9348(7) 0.2053(4) 0.073(4) Uani 1 1 d . . .
H3_12 H 0.9466 0.9722 0.2142 0.088 Uiso 1 1 calc R . .
C4_12 C 0.8753(9) 0.8979(5) 0.1621(4) 0.060(3) Uani 1 1 d . . .
H4_12 H 0.9258 0.9066 0.1371 0.072 Uiso 1 1 calc R . .
C5_12 C 0.7763(9) 0.8476(6) 0.1649(4) 0.061(3) Uani 1 1 d . . .
H5_12 H 0.7493 0.8134 0.1417 0.074 Uiso 1 1 calc R . .
C1_13 C 0.6083(7) 1.0793(5) 0.0880(3) 0.0345(18) Uani 1 1 d . . .
C2_13 C 0.5201(8) 1.0488(5) 0.0508(3) 0.046(2) Uani 1 1 d . . .
H2A_13 H 0.4852 1.0955 0.0354 0.069 Uiso 1 1 calc R . .
H2B_13 H 0.4550 1.0166 0.0642 0.069 Uiso 1 1 calc R . .
H2C_13 H 0.5651 1.0152 0.0298 0.069 Uiso 1 1 calc R . .
C3_13 C 0.6995(8) 1.1357(5) 0.0660(3) 0.037(2) Uani 1 1 d . . .
H3A_13 H 0.7503 1.1046 0.0456 0.056 Uiso 1 1 calc R . .
H3B_13 H 0.7506 1.1610 0.0886 0.056 Uiso 1 1 calc R . .
H3C_13 H 0.6561 1.1780 0.0496 0.056 Uiso 1 1 calc R . .
C4_13 C 0.5333(8) 1.1297(5) 0.1204(3) 0.045(2) Uani 1 1 d . . .
H4A_13 H 0.4480 1.1288 0.1114 0.067 Uiso 1 1 calc R . .
H4B_13 H 0.5628 1.1857 0.1204 0.067 Uiso 1 1 calc R . .
H4C_13 H 0.5410 1.1068 0.1502 0.067 Uiso 1 1 calc R . .
C1_14 C 0.3689(6) 0.7897(4) 0.0723(2) 0.0192(15) Uani 1 1 d . . .
C2_14 C 0.4762(7) 0.7905(4) 0.0487(2) 0.0253(16) Uani 1 1 d . . .
H2_14 H 0.5400 0.8258 0.0573 0.030 Uiso 1 1 calc R . .
C3_14 C 0.4902(8) 0.7402(5) 0.0128(2) 0.0321(18) Uani 1 1 d . . .
H3_14 H 0.5643 0.7410 -0.0031 0.039 Uiso 1 1 calc R . .
C4_14 C 0.3997(7) 0.6892(4) -0.0003(2) 0.0270(17) Uani 1 1 d . . .
H4_14 H 0.4104 0.6556 -0.0255 0.032 Uiso 1 1 calc R . .
C5_14 C 0.2917(7) 0.6867(4) 0.0234(2) 0.0255(17) Uani 1 1 d . . .
H5_14 H 0.2283 0.6511 0.0147 0.031 Uiso 1 1 calc R . .
C6_14 C 0.2780(7) 0.7368(4) 0.0598(2) 0.0245(17) Uani 1 1 d . . .
H6_14 H 0.2050 0.7348 0.0764 0.029 Uiso 1 1 calc R . .
C1_15 C 0.2301(6) 0.9281(4) 0.1055(2) 0.0222(15) Uani 1 1 d . . .
C2_15 C 0.1722(7) 0.9291(4) 0.0651(2) 0.0292(18) Uani 1 1 d . . .
H2_15 H 0.1941 0.8912 0.0429 0.035 Uiso 1 1 calc R . .
C3_15 C 0.0810(7) 0.9862(4) 0.0572(3) 0.0287(17) Uani 1 1 d . . .
H3_15 H 0.0406 0.9870 0.0295 0.034 Uiso 1 1 calc R . .
C4_15 C 0.0503(7) 1.0400(4) 0.0887(3) 0.034(2) Uani 1 1 d . . .
H4_15 H -0.0140 1.0770 0.0833 0.041 Uiso 1 1 calc R . .
C5_15 C 0.1105(7) 1.0426(5) 0.1289(3) 0.036(2) Uani 1 1 d . . .
H5_15 H 0.0895 1.0818 0.1505 0.043 Uiso 1 1 calc R . .
C6_15 C 0.2016(7) 0.9870(4) 0.1368(3) 0.0305(16) Uani 1 1 d . . .
H6_15 H 0.2453 0.9890 0.1638 0.037 Uiso 1 1 calc R . .
C1_16 C 0.2876(7) 0.7927(4) 0.1627(2) 0.0196(16) Uani 1 1 d . . .
C2_16 C 0.3651(8) 0.7429(4) 0.1852(2) 0.0295(18) Uani 1 1 d . . .
H2_16 H 0.4491 0.7439 0.1785 0.035 Uiso 1 1 calc R . .
C3_16 C 0.3224(10) 0.6910(5) 0.2176(3) 0.040(2) Uani 1 1 d . . .
H3_16 H 0.3765 0.6571 0.2335 0.048 Uiso 1 1 calc R . .
C4_16 C 0.2006(11) 0.6896(5) 0.2262(3) 0.047(3) Uani 1 1 d . . .
H4_16 H 0.1704 0.6527 0.2477 0.057 Uiso 1 1 calc R . .
C5_16 C 0.1221(9) 0.7390(6) 0.2051(3) 0.052(3) Uani 1 1 d . . .
H5_16 H 0.0386 0.7386 0.2127 0.062 Uiso 1 1 calc R . .
C6_16 C 0.1648(8) 0.7909(5) 0.1722(3) 0.039(2) Uani 1 1 d . . .
H6_16 H 0.1102 0.8246 0.1563 0.047 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Mn1_1 0.0200(6) 0.0270(6) 0.0217(6) -0.0016(4) 0.0026(5) -0.0057(5)
C2_1 0.059(6) 0.032(5) 0.037(5) 0.014(4) -0.005(4) -0.024(4)
O2_1 0.065(5) 0.060(4) 0.051(4) 0.035(3) -0.036(4) -0.033(4)
C1_1 0.021(4) 0.046(5) 0.018(4) 0.005(3) 0.001(3) -0.001(4)
O1_1 0.031(3) 0.030(3) 0.047(3) 0.008(2) -0.005(3) -0.017(3)
Au1_1 0.01712(12) 0.02000(12) 0.02327(13) 0.00195(13) 0.00037(11) -0.00232(10)
P1_1 0.0175(10) 0.0204(9) 0.0200(9) 0.0001(7) 0.0022(8) 0.0003(8)
B1_1 0.016(4) 0.028(3) 0.033(4) -0.003(3) 0.002(3) -0.007(3)
Cl1_1 0.0409(13) 0.0577(14) 0.0280(10) 0.0089(9) -0.0072(9) -0.0050(11)
C1_2 0.025(4) 0.033(4) 0.061(6) 0.001(4) 0.000(5) 0.007(3)
C2_2 0.018(4) 0.036(4) 0.048(5) -0.001(4) 0.003(4) 0.011(3)
C3_2 0.035(5) 0.043(5) 0.041(5) -0.005(4) 0.006(4) 0.005(5)
C4_2 0.031(5) 0.068(6) 0.044(5) -0.029(5) 0.008(4) 0.001(4)
C5_2 0.021(5) 0.037(5) 0.087(8) -0.029(5) 0.006(5) -0.007(4)
C1_3 0.022(4) 0.037(5) 0.059(5) -0.014(4) 0.004(4) -0.008(4)
C2_3 0.035(5) 0.051(6) 0.068(6) -0.032(5) 0.028(5) -0.008(4)
C3_3 0.047(4) 0.045(4) 0.069(4) 0.022(4) -0.001(4) 0.011(3)
C4_3 0.040(6) 0.043(5) 0.057(6) -0.023(4) -0.001(5) -0.017(4)
C1_4 0.027(4) 0.016(3) 0.015(3) 0.003(3) 0.003(3) -0.005(3)
C2_4 0.032(5) 0.025(4) 0.021(4) -0.004(3) 0.005(3) -0.002(4)
C3_4 0.016(4) 0.029(4) 0.031(4) -0.001(3) 0.000(3) -0.007(3)
C4_4 0.028(5) 0.029(4) 0.025(4) 0.000(3) -0.001(3) -0.015(3)
C5_4 0.024(4) 0.023(4) 0.029(4) -0.004(3) 0.010(3) 0.002(3)
C6_4 0.022(4) 0.022(4) 0.029(4) 0.005(3) 0.006(3) 0.001(3)
C1_5 0.026(4) 0.026(4) 0.016(4) -0.001(3) 0.004(3) 0.003(3)
C2_5 0.029(5) 0.027(4) 0.026(4) 0.000(3) -0.005(3) 0.005(4)
C3_5 0.022(4) 0.042(5) 0.024(4) 0.005(3) -0.010(3) 0.005(4)
C4_5 0.037(5) 0.032(4) 0.020(4) 0.011(3) 0.002(3) 0.014(4)
C5_5 0.031(5) 0.027(4) 0.031(4) 0.007(3) 0.010(4) 0.003(4)
C6_5 0.014(4) 0.027(4) 0.021(4) 0.001(3) -0.002(3) 0.005(3)
C1_6 0.017(3) 0.013(3) 0.024(3) -0.001(3) 0.003(3) 0.005(3)
C2_6 0.015(4) 0.026(4) 0.029(4) -0.003(3) 0.002(3) -0.003(3)
C3_6 0.035(5) 0.026(4) 0.033(4) -0.001(3) 0.011(4) -0.001(4)
C4_6 0.021(4) 0.021(4) 0.045(5) -0.012(3) 0.000(3) -0.001(3)
C5_6 0.042(5) 0.017(4) 0.035(5) -0.003(3) -0.004(3) 0.009(3)
C6_6 0.028(4) 0.028(4) 0.026(4) 0.005(3) -0.007(4) 0.005(3)
Mn1_11 0.0330(7) 0.0411(7) 0.0254(6) 0.0056(5) -0.0128(5) -0.0176(6)
C1_11 0.025(4) 0.051(6) 0.029(4) -0.008(4) -0.003(3) -0.018(4)
O1_11 0.042(4) 0.039(3) 0.034(3) -0.011(3) 0.001(3) -0.024(3)
C2_11 0.049(6) 0.066(6) 0.032(5) -0.020(4) 0.012(4) -0.041(5)
O2_11 0.070(5) 0.079(5) 0.047(4) -0.027(4) 0.021(4) -0.037(4)
Au1_11 0.02288(14) 0.02191(12) 0.02187(12) -0.00228(13) -0.00323(12)
-0.00521(11)
P1_11 0.0172(10) 0.0202(9) 0.0193(9) -0.0028(7) 0.0001(8) -0.0041(8)
B1_11 0.023(5) 0.042(6) 0.038(5) -0.013(4) 0.000(4) -0.005(4)
Cl1_11 0.0330(12) 0.0500(13) 0.0406(12) -0.0207(9) 0.0096(9) -0.0019(9)
C1_12 0.047(7) 0.082(8) 0.099(9) 0.071(7) -0.037(7) -0.021(6)
C2_12 0.069(8) 0.124(11) 0.055(7) 0.046(7) -0.030(6) -0.029(8)
C3_12 0.035(6) 0.092(9) 0.091(9) 0.024(7) -0.046(6) -0.019(6)
C4_12 0.050(6) 0.032(5) 0.097(9) 0.023(5) -0.012(6) 0.002(4)
C5_12 0.030(6) 0.039(6) 0.115(10) 0.020(6) -0.013(6) 0.007(5)
C1_13 0.029(4) 0.029(4) 0.046(5) 0.008(4) 0.003(3) -0.010(4)
C2_13 0.038(5) 0.047(5) 0.053(6) 0.022(4) -0.014(5) -0.006(5)
C3_13 0.034(5) 0.042(5) 0.036(5) 0.021(4) -0.013(4) -0.003(4)
C4_13 0.031(5) 0.024(4) 0.079(7) 0.003(4) 0.012(4) 0.007(4)
C1_14 0.017(4) 0.021(3) 0.020(4) -0.001(3) -0.005(3) -0.002(3)
C2_14 0.019(4) 0.034(4) 0.023(4) 0.002(3) 0.001(3) -0.014(3)
C3_14 0.033(5) 0.034(4) 0.029(4) -0.003(3) 0.007(4) -0.004(4)
C4_14 0.032(5) 0.021(4) 0.028(4) -0.003(3) 0.001(4) 0.010(3)
C5_14 0.021(4) 0.019(4) 0.037(4) -0.003(3) -0.008(3) 0.001(3)
C6_14 0.033(5) 0.021(4) 0.020(4) -0.001(3) 0.000(3) 0.002(3)
C1_15 0.023(4) 0.021(4) 0.023(4) -0.004(3) 0.003(3) -0.009(3)
C2_15 0.046(5) 0.023(4) 0.018(4) 0.000(3) -0.004(3) 0.001(4)
C3_15 0.028(4) 0.029(4) 0.029(4) 0.007(3) -0.004(3) 0.004(4)
C4_15 0.027(5) 0.023(4) 0.053(5) 0.008(4) 0.001(4) 0.009(3)
C5_15 0.042(5) 0.032(4) 0.033(5) -0.007(3) 0.005(4) 0.002(4)
C6_15 0.033(4) 0.028(4) 0.030(4) 0.000(4) -0.007(4) 0.002(3)
C1_16 0.020(4) 0.021(4) 0.017(4) -0.001(3) -0.002(3) -0.008(3)
C2_16 0.037(5) 0.022(4) 0.030(4) 0.000(3) 0.001(4) 0.000(3)
C3_16 0.067(7) 0.030(5) 0.022(4) 0.003(3) -0.004(4) 0.008(4)
C4_16 0.085(8) 0.036(5) 0.021(4) 0.008(4) 0.006(5) -0.010(5)
C5_16 0.044(6) 0.069(7) 0.042(5) 0.022(5) 0.000(4) -0.012(5)
C6_16 0.037(5) 0.050(5) 0.032(4) 0.017(4) 0.003(4) -0.012(4)

_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_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mn1_1 C2_1 1.753(9) . ?
Mn1_1 C1_1 1.781(8) . ?
Mn1_1 B1_1 2.126(9) . ?
Mn1_1 C3_2 2.139(8) . ?
Mn1_1 C5_2 2.150(8) . ?
Mn1_1 C4_2 2.153(8) . ?
Mn1_1 C2_2 2.160(7) . ?
Mn1_1 C1_2 2.167(8) . ?
Mn1_1 Au1_1 2.5534(11) . ?
C2_1 O2_1 1.159(10) . ?
C1_1 O1_1 1.145(9) . ?
Au1_1 P1_1 2.2933(19) . ?
Au1_1 B1_1 2.303(9) . ?
P1_1 C1_6 1.811(6) . ?
P1_1 C1_5 1.819(7) . ?
P1_1 C1_4 1.824(7) . ?
B1_1 C1_3 1.607(12) . ?
B1_1 Cl1_1 1.864(9) . ?
C1_2 C2_2 1.392(11) . ?
C1_2 C5_2 1.416(13) . ?
C1_2 H1_2 0.9500 . ?
C2_2 C3_2 1.416(11) . ?
C2_2 H2_2 0.9500 . ?
C3_2 C4_2 1.414(12) . ?
C3_2 H3_2 0.9500 . ?
C4_2 C5_2 1.424(13) . ?
C4_2 H4_2 0.9500 . ?
C5_2 H5_2 0.9500 . ?
C1_3 C2_3 1.543(11) . ?
C1_3 C4_3 1.544(10) . ?
C1_3 C3_3 1.610(12) . ?
C2_3 H2A_3 0.9800 . ?
C2_3 H2B_3 0.9800 . ?
C2_3 H2C_3 0.9800 . ?
C3_3 H3A_3 0.9800 . ?
C3_3 H3B_3 0.9800 . ?
C3_3 H3C_3 0.9800 . ?
C4_3 H4A_3 0.9800 . ?
C4_3 H4B_3 0.9800 . ?
C4_3 H4C_3 0.9800 . ?
C1_4 C2_4 1.372(10) . ?
C1_4 C6_4 1.409(10) . ?
C2_4 C3_4 1.382(10) . ?
C2_4 H2_4 0.9500 . ?
C3_4 C4_4 1.357(10) . ?
C3_4 H3_4 0.9500 . ?
C4_4 C5_4 1.396(10) . ?
C4_4 H4_4 0.9500 . ?
C5_4 C6_4 1.383(10) . ?
C5_4 H5_4 0.9500 . ?
C6_4 H6_4 0.9500 . ?
C1_5 C6_5 1.393(10) . ?
C1_5 C2_5 1.399(10) . ?
C2_5 C3_5 1.387(10) . ?
C2_5 H2_5 0.9500 . ?
C3_5 C4_5 1.381(11) . ?
C3_5 H3_5 0.9500 . ?
C4_5 C5_5 1.362(11) . ?
C4_5 H4_5 0.9500 . ?
C5_5 C6_5 1.379(10) . ?
C5_5 H5_5 0.9500 . ?
C6_5 H6_5 0.9500 . ?
C1_6 C6_6 1.382(9) . ?
C1_6 C2_6 1.392(9) . ?
C2_6 C3_6 1.365(10) . ?
C2_6 H2_6 0.9500 . ?
C3_6 C4_6 1.391(11) . ?
C3_6 H3_6 0.9500 . ?
C4_6 C5_6 1.372(10) . ?
C4_6 H4_6 0.9500 . ?
C5_6 C6_6 1.372(10) . ?
C5_6 H5_6 0.9500 . ?
C6_6 H6_6 0.9500 . ?
Mn1_11 C1_11 1.773(8) . ?
Mn1_11 C2_11 1.778(10) . ?
Mn1_11 B1_11 2.104(10) . ?
Mn1_11 C3_12 2.131(9) . ?
Mn1_11 C4_12 2.137(10) . ?
Mn1_11 C5_12 2.145(10) . ?
Mn1_11 C1_12 2.156(9) . ?
Mn1_11 C2_12 2.160(10) . ?
Mn1_11 Au1_11 2.5413(12) . ?
C1_11 O1_11 1.148(9) . ?
C2_11 O2_11 1.195(11) . ?
C2_11 Au1_11 2.691(8) . ?
Au1_11 B1_11 2.277(10) . ?
Au1_11 P1_11 2.2817(18) . ?
P1_11 C1_14 1.814(7) . ?
P1_11 C1_15 1.819(7) . ?
P1_11 C1_16 1.824(7) . ?
B1_11 C1_13 1.585(13) . ?
B1_11 Cl1_11 1.873(10) . ?
C1_12 C2_12 1.394(16) . ?
C1_12 C5_12 1.421(16) . ?
C1_12 H1_12 0.9500 . ?
C2_12 C3_12 1.408(15) . ?
C2_12 H2_12 0.9500 . ?
C3_12 C4_12 1.448(15) . ?
C3_12 H3_12 0.9500 . ?
C4_12 C5_12 1.375(13) . ?
C4_12 H4_12 0.9500 . ?
C5_12 H5_12 0.9500 . ?
C1_13 C3_13 1.525(10) . ?
C1_13 C4_13 1.528(11) . ?
C1_13 C2_13 1.571(11) . ?
C2_13 H2A_13 0.9800 . ?
C2_13 H2B_13 0.9800 . ?
C2_13 H2C_13 0.9800 . ?
C3_13 H3A_13 0.9800 . ?
C3_13 H3B_13 0.9800 . ?
C3_13 H3C_13 0.9800 . ?
C4_13 H4A_13 0.9800 . ?
C4_13 H4B_13 0.9800 . ?
C4_13 H4C_13 0.9800 . ?
C1_14 C2_14 1.382(10) . ?
C1_14 C6_14 1.382(10) . ?
C2_14 C3_14 1.377(10) . ?
C2_14 H2_14 0.9500 . ?
C3_14 C4_14 1.365(11) . ?
C3_14 H3_14 0.9500 . ?
C4_14 C5_14 1.392(11) . ?
C4_14 H4_14 0.9500 . ?
C5_14 C6_14 1.386(10) . ?
C5_14 H5_14 0.9500 . ?
C6_14 H6_14 0.9500 . ?
C1_15 C2_15 1.379(9) . ?
C1_15 C6_15 1.392(10) . ?
C2_15 C3_15 1.399(10) . ?
C2_15 H2_15 0.9500 . ?
C3_15 C4_15 1.347(11) . ?
C3_15 H3_15 0.9500 . ?
C4_15 C5_15 1.385(11) . ?
C4_15 H4_15 0.9500 . ?
C5_15 C6_15 1.382(10) . ?
C5_15 H5_15 0.9500 . ?
C6_15 H6_15 0.9500 . ?
C1_16 C2_16 1.368(10) . ?
C1_16 C6_16 1.385(11) . ?
C2_16 C3_16 1.383(11) . ?
C2_16 H2_16 0.9500 . ?
C3_16 C4_16 1.370(13) . ?
C3_16 H3_16 0.9500 . ?
C4_16 C5_16 1.351(13) . ?
C4_16 H4_16 0.9500 . ?
C5_16 C6_16 1.396(11) . ?
C5_16 H5_16 0.9500 . ?
C6_16 H6_16 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2_1 Mn1_1 C1_1 89.8(4) . . ?
C2_1 Mn1_1 B1_1 104.4(4) . . ?
C1_1 Mn1_1 B1_1 73.1(3) . . ?
C2_1 Mn1_1 C3_2 120.7(4) . . ?
C1_1 Mn1_1 C3_2 88.5(4) . . ?
B1_1 Mn1_1 C3_2 131.2(3) . . ?
C2_1 Mn1_1 C5_2 99.6(4) . . ?
C1_1 Mn1_1 C5_2 152.3(3) . . ?
B1_1 Mn1_1 C5_2 128.3(4) . . ?
C3_2 Mn1_1 C5_2 64.3(3) . . ?
C2_1 Mn1_1 C4_2 92.3(4) . . ?
C1_1 Mn1_1 C4_2 115.5(4) . . ?
B1_1 Mn1_1 C4_2 161.5(4) . . ?
C3_2 Mn1_1 C4_2 38.5(3) . . ?
C5_2 Mn1_1 C4_2 38.6(3) . . ?
C2_1 Mn1_1 C2_2 156.3(4) . . ?
C1_1 Mn1_1 C2_2 98.9(3) . . ?
B1_1 Mn1_1 C2_2 99.3(3) . . ?
C3_2 Mn1_1 C2_2 38.5(3) . . ?
C5_2 Mn1_1 C2_2 63.4(3) . . ?
C4_2 Mn1_1 C2_2 64.0(3) . . ?
C2_1 Mn1_1 C1_2 134.9(4) . . ?
C1_1 Mn1_1 C1_2 134.7(3) . . ?
B1_1 Mn1_1 C1_2 97.6(4) . . ?
C3_2 Mn1_1 C1_2 64.2(3) . . ?
C5_2 Mn1_1 C1_2 38.3(4) . . ?
C4_2 Mn1_1 C1_2 64.5(4) . . ?
C2_2 Mn1_1 C1_2 37.5(3) . . ?
C2_1 Mn1_1 Au1_1 77.1(3) . . ?
C1_1 Mn1_1 Au1_1 123.2(2) . . ?
B1_1 Mn1_1 Au1_1 58.1(2) . . ?
C3_2 Mn1_1 Au1_1 145.3(3) . . ?
C5_2 Mn1_1 Au1_1 84.5(2) . . ?
C4_2 Mn1_1 Au1_1 119.9(3) . . ?
C2_2 Mn1_1 Au1_1 115.0(2) . . ?
C1_2 Mn1_1 Au1_1 82.2(2) . . ?
O2_1 C2_1 Mn1_1 175.6(9) . . ?
O1_1 C1_1 Mn1_1 173.8(7) . . ?
P1_1 Au1_1 B1_1 139.9(2) . . ?
P1_1 Au1_1 Mn1_1 167.51(5) . . ?
B1_1 Au1_1 Mn1_1 51.6(2) . . ?
C1_6 P1_1 C1_5 106.7(3) . . ?
C1_6 P1_1 C1_4 104.3(3) . . ?
C1_5 P1_1 C1_4 104.5(3) . . ?
C1_6 P1_1 Au1_1 111.3(2) . . ?
C1_5 P1_1 Au1_1 113.4(3) . . ?
C1_4 P1_1 Au1_1 115.7(2) . . ?
C1_3 B1_1 Cl1_1 108.8(6) . . ?
C1_3 B1_1 Mn1_1 134.9(6) . . ?
Cl1_1 B1_1 Mn1_1 113.7(4) . . ?
C1_3 B1_1 Au1_1 109.5(5) . . ?
Cl1_1 B1_1 Au1_1 109.2(4) . . ?
Mn1_1 B1_1 Au1_1 70.3(3) . . ?
C2_2 C1_2 C5_2 107.5(8) . . ?
C2_2 C1_2 Mn1_1 71.0(4) . . ?
C5_2 C1_2 Mn1_1 70.2(5) . . ?
C2_2 C1_2 H1_2 126.2 . . ?
C5_2 C1_2 H1_2 126.2 . . ?
Mn1_1 C1_2 H1_2 124.2 . . ?
C1_2 C2_2 C3_2 109.1(8) . . ?
C1_2 C2_2 Mn1_1 71.5(4) . . ?
C3_2 C2_2 Mn1_1 70.0(5) . . ?
C1_2 C2_2 H2_2 125.4 . . ?
C3_2 C2_2 H2_2 125.4 . . ?
Mn1_1 C2_2 H2_2 124.7 . . ?
C4_2 C3_2 C2_2 107.8(8) . . ?
C4_2 C3_2 Mn1_1 71.3(5) . . ?
C2_2 C3_2 Mn1_1 71.6(4) . . ?
C4_2 C3_2 H3_2 126.1 . . ?
C2_2 C3_2 H3_2 126.1 . . ?
Mn1_1 C3_2 H3_2 122.7 . . ?
C3_2 C4_2 C5_2 107.1(8) . . ?
C3_2 C4_2 Mn1_1 70.2(5) . . ?
C5_2 C4_2 Mn1_1 70.6(5) . . ?
C3_2 C4_2 H4_2 126.5 . . ?
C5_2 C4_2 H4_2 126.5 . . ?
Mn1_1 C4_2 H4_2 124.4 . . ?
C1_2 C5_2 C4_2 108.5(8) . . ?
C1_2 C5_2 Mn1_1 71.5(4) . . ?
C4_2 C5_2 Mn1_1 70.8(5) . . ?
C1_2 C5_2 H5_2 125.8 . . ?
C4_2 C5_2 H5_2 125.8 . . ?
Mn1_1 C5_2 H5_2 123.6 . . ?
C2_3 C1_3 C4_3 107.6(7) . . ?
C2_3 C1_3 C3_3 109.6(7) . . ?
C4_3 C1_3 C3_3 110.3(7) . . ?
C2_3 C1_3 B1_1 109.3(7) . . ?
C4_3 C1_3 B1_1 110.8(7) . . ?
C3_3 C1_3 B1_1 109.2(7) . . ?
C1_3 C2_3 H2A_3 109.5 . . ?
C1_3 C2_3 H2B_3 109.5 . . ?
H2A_3 C2_3 H2B_3 109.5 . . ?
C1_3 C2_3 H2C_3 109.5 . . ?
H2A_3 C2_3 H2C_3 109.5 . . ?
H2B_3 C2_3 H2C_3 109.5 . . ?
C1_3 C3_3 H3A_3 109.5 . . ?
C1_3 C3_3 H3B_3 109.5 . . ?
H3A_3 C3_3 H3B_3 109.5 . . ?
C1_3 C3_3 H3C_3 109.5 . . ?
H3A_3 C3_3 H3C_3 109.5 . . ?
H3B_3 C3_3 H3C_3 109.5 . . ?
C1_3 C4_3 H4A_3 109.5 . . ?
C1_3 C4_3 H4B_3 109.5 . . ?
H4A_3 C4_3 H4B_3 109.5 . . ?
C1_3 C4_3 H4C_3 109.5 . . ?
H4A_3 C4_3 H4C_3 109.5 . . ?
H4B_3 C4_3 H4C_3 109.5 . . ?
C2_4 C1_4 C6_4 119.0(7) . . ?
C2_4 C1_4 P1_1 123.0(5) . . ?
C6_4 C1_4 P1_1 117.9(6) . . ?
C1_4 C2_4 C3_4 120.6(7) . . ?
C1_4 C2_4 H2_4 119.7 . . ?
C3_4 C2_4 H2_4 119.7 . . ?
C4_4 C3_4 C2_4 120.4(7) . . ?
C4_4 C3_4 H3_4 119.8 . . ?
C2_4 C3_4 H3_4 119.8 . . ?
C3_4 C4_4 C5_4 120.8(7) . . ?
C3_4 C4_4 H4_4 119.6 . . ?
C5_4 C4_4 H4_4 119.6 . . ?
C6_4 C5_4 C4_4 118.9(7) . . ?
C6_4 C5_4 H5_4 120.6 . . ?
C4_4 C5_4 H5_4 120.6 . . ?
C5_4 C6_4 C1_4 120.2(7) . . ?
C5_4 C6_4 H6_4 119.9 . . ?
C1_4 C6_4 H6_4 119.9 . . ?
C6_5 C1_5 C2_5 119.8(7) . . ?
C6_5 C1_5 P1_1 121.5(5) . . ?
C2_5 C1_5 P1_1 118.7(6) . . ?
C3_5 C2_5 C1_5 118.6(7) . . ?
C3_5 C2_5 H2_5 120.7 . . ?
C1_5 C2_5 H2_5 120.7 . . ?
C4_5 C3_5 C2_5 121.3(7) . . ?
C4_5 C3_5 H3_5 119.4 . . ?
C2_5 C3_5 H3_5 119.4 . . ?
C5_5 C4_5 C3_5 119.5(7) . . ?
C5_5 C4_5 H4_5 120.3 . . ?
C3_5 C4_5 H4_5 120.3 . . ?
C4_5 C5_5 C6_5 121.2(7) . . ?
C4_5 C5_5 H5_5 119.4 . . ?
C6_5 C5_5 H5_5 119.4 . . ?
C5_5 C6_5 C1_5 119.7(7) . . ?
C5_5 C6_5 H6_5 120.2 . . ?
C1_5 C6_5 H6_5 120.2 . . ?
C6_6 C1_6 C2_6 117.9(6) . . ?
C6_6 C1_6 P1_1 119.4(5) . . ?
C2_6 C1_6 P1_1 122.7(5) . . ?
C3_6 C2_6 C1_6 119.9(7) . . ?
C3_6 C2_6 H2_6 120.0 . . ?
C1_6 C2_6 H2_6 120.0 . . ?
C2_6 C3_6 C4_6 121.5(7) . . ?
C2_6 C3_6 H3_6 119.3 . . ?
C4_6 C3_6 H3_6 119.3 . . ?
C5_6 C4_6 C3_6 118.9(7) . . ?
C5_6 C4_6 H4_6 120.5 . . ?
C3_6 C4_6 H4_6 120.5 . . ?
C4_6 C5_6 C6_6 119.5(7) . . ?
C4_6 C5_6 H5_6 120.3 . . ?
C6_6 C5_6 H5_6 120.3 . . ?
C5_6 C6_6 C1_6 122.3(7) . . ?
C5_6 C6_6 H6_6 118.9 . . ?
C1_6 C6_6 H6_6 118.9 . . ?
C1_11 Mn1_11 C2_11 89.6(4) . . ?
C1_11 Mn1_11 B1_11 72.8(3) . . ?
C2_11 Mn1_11 B1_11 100.9(4) . . ?
C1_11 Mn1_11 C3_12 89.4(4) . . ?
C2_11 Mn1_11 C3_12 122.1(5) . . ?
B1_11 Mn1_11 C3_12 133.5(4) . . ?
C1_11 Mn1_11 C4_12 99.2(4) . . ?
C2_11 Mn1_11 C4_12 158.8(4) . . ?
B1_11 Mn1_11 C4_12 100.1(4) . . ?
C3_12 Mn1_11 C4_12 39.7(4) . . ?
C1_11 Mn1_11 C5_12 135.6(4) . . ?
C2_11 Mn1_11 C5_12 134.2(4) . . ?
B1_11 Mn1_11 C5_12 100.3(4) . . ?
C3_12 Mn1_11 C5_12 63.2(4) . . ?
C4_12 Mn1_11 C5_12 37.5(3) . . ?
C1_11 Mn1_11 C1_12 152.9(4) . . ?
C2_11 Mn1_11 C1_12 98.6(5) . . ?
B1_11 Mn1_11 C1_12 129.8(4) . . ?
C3_12 Mn1_11 C1_12 64.3(4) . . ?
C4_12 Mn1_11 C1_12 65.3(4) . . ?
C5_12 Mn1_11 C1_12 38.6(5) . . ?
C1_11 Mn1_11 C2_12 116.4(4) . . ?
C2_11 Mn1_11 C2_12 93.7(5) . . ?
B1_11 Mn1_11 C2_12 163.0(5) . . ?
C3_12 Mn1_11 C2_12 38.3(4) . . ?
C4_12 Mn1_11 C2_12 65.1(5) . . ?
C5_12 Mn1_11 C2_12 62.9(5) . . ?
C1_12 Mn1_11 C2_12 37.7(4) . . ?
C1_11 Mn1_11 Au1_11 123.0(3) . . ?
C2_11 Mn1_11 Au1_11 74.8(3) . . ?
B1_11 Mn1_11 Au1_11 57.8(3) . . ?
C3_12 Mn1_11 Au1_11 145.2(3) . . ?
C4_12 Mn1_11 Au1_11 114.9(3) . . ?
C5_12 Mn1_11 Au1_11 83.2(3) . . ?
C1_12 Mn1_11 Au1_11 84.2(3) . . ?
C2_12 Mn1_11 Au1_11 119.0(3) . . ?
O1_11 C1_11 Mn1_11 173.5(7) . . ?
O2_11 C2_11 Mn1_11 179.2(8) . . ?
O2_11 C2_11 Au1_11 115.2(6) . . ?
Mn1_11 C2_11 Au1_11 65.6(3) . . ?
B1_11 Au1_11 P1_11 139.7(2) . . ?
B1_11 Au1_11 Mn1_11 51.4(2) . . ?
P1_11 Au1_11 Mn1_11 168.20(5) . . ?
B1_11 Au1_11 C2_11 73.8(3) . . ?
P1_11 Au1_11 C2_11 137.6(2) . . ?
Mn1_11 Au1_11 C2_11 39.6(2) . . ?
C1_14 P1_11 C1_15 107.4(3) . . ?
C1_14 P1_11 C1_16 104.7(3) . . ?
C1_15 P1_11 C1_16 105.4(3) . . ?
C1_14 P1_11 Au1_11 113.6(2) . . ?
C1_15 P1_11 Au1_11 112.2(2) . . ?
C1_16 P1_11 Au1_11 112.9(2) . . ?
C1_13 B1_11 Cl1_11 108.3(6) . . ?
C1_13 B1_11 Mn1_11 136.2(6) . . ?
Cl1_11 B1_11 Mn1_11 112.8(5) . . ?
C1_13 B1_11 Au1_11 110.0(6) . . ?
Cl1_11 B1_11 Au1_11 108.1(4) . . ?
Mn1_11 B1_11 Au1_11 70.8(3) . . ?
C2_12 C1_12 C5_12 105.8(10) . . ?
C2_12 C1_12 Mn1_11 71.3(6) . . ?
C5_12 C1_12 Mn1_11 70.3(5) . . ?
C2_12 C1_12 H1_12 127.1 . . ?
C5_12 C1_12 H1_12 127.1 . . ?
Mn1_11 C1_12 H1_12 123.0 . . ?
C1_12 C2_12 C3_12 109.0(11) . . ?
C1_12 C2_12 Mn1_11 71.0(5) . . ?
C3_12 C2_12 Mn1_11 69.7(5) . . ?
C1_12 C2_12 H2_12 125.5 . . ?
C3_12 C2_12 H2_12 125.5 . . ?
Mn1_11 C2_12 H2_12 125.4 . . ?
C2_12 C3_12 C4_12 108.2(10) . . ?
C2_12 C3_12 Mn1_11 72.0(6) . . ?
C4_12 C3_12 Mn1_11 70.4(5) . . ?
C2_12 C3_12 H3_12 125.9 . . ?
C4_12 C3_12 H3_12 125.9 . . ?
Mn1_11 C3_12 H3_12 123.4 . . ?
C5_12 C4_12 C3_12 105.2(10) . . ?
C5_12 C4_12 Mn1_11 71.6(6) . . ?
C3_12 C4_12 Mn1_11 70.0(6) . . ?
C5_12 C4_12 H4_12 127.4 . . ?
C3_12 C4_12 H4_12 127.4 . . ?
Mn1_11 C4_12 H4_12 122.8 . . ?
C4_12 C5_12 C1_12 111.7(11) . . ?
C4_12 C5_12 Mn1_11 70.9(6) . . ?
C1_12 C5_12 Mn1_11 71.1(6) . . ?
C4_12 C5_12 H5_12 124.1 . . ?
C1_12 C5_12 H5_12 124.1 . . ?
Mn1_11 C5_12 H5_12 125.4 . . ?
C3_13 C1_13 C4_13 107.8(7) . . ?
C3_13 C1_13 C2_13 106.9(7) . . ?
C4_13 C1_13 C2_13 107.3(7) . . ?
C3_13 C1_13 B1_11 113.2(7) . . ?
C4_13 C1_13 B1_11 112.4(7) . . ?
C2_13 C1_13 B1_11 108.9(7) . . ?
C1_13 C2_13 H2A_13 109.5 . . ?
C1_13 C2_13 H2B_13 109.5 . . ?
H2A_13 C2_13 H2B_13 109.5 . . ?
C1_13 C2_13 H2C_13 109.5 . . ?
H2A_13 C2_13 H2C_13 109.5 . . ?
H2B_13 C2_13 H2C_13 109.5 . . ?
C1_13 C3_13 H3A_13 109.5 . . ?
C1_13 C3_13 H3B_13 109.5 . . ?
H3A_13 C3_13 H3B_13 109.5 . . ?
C1_13 C3_13 H3C_13 109.5 . . ?
H3A_13 C3_13 H3C_13 109.5 . . ?
H3B_13 C3_13 H3C_13 109.5 . . ?
C1_13 C4_13 H4A_13 109.5 . . ?
C1_13 C4_13 H4B_13 109.5 . . ?
H4A_13 C4_13 H4B_13 109.5 . . ?
C1_13 C4_13 H4C_13 109.5 . . ?
H4A_13 C4_13 H4C_13 109.5 . . ?
H4B_13 C4_13 H4C_13 109.5 . . ?
C2_14 C1_14 C6_14 119.1(7) . . ?
C2_14 C1_14 P1_11 119.8(5) . . ?
C6_14 C1_14 P1_11 121.1(5) . . ?
C3_14 C2_14 C1_14 119.9(7) . . ?
C3_14 C2_14 H2_14 120.1 . . ?
C1_14 C2_14 H2_14 120.1 . . ?
C4_14 C3_14 C2_14 121.3(7) . . ?
C4_14 C3_14 H3_14 119.4 . . ?
C2_14 C3_14 H3_14 119.4 . . ?
C3_14 C4_14 C5_14 119.7(7) . . ?
C3_14 C4_14 H4_14 120.2 . . ?
C5_14 C4_14 H4_14 120.2 . . ?
C6_14 C5_14 C4_14 119.1(7) . . ?
C6_14 C5_14 H5_14 120.5 . . ?
C4_14 C5_14 H5_14 120.5 . . ?
C1_14 C6_14 C5_14 121.0(7) . . ?
C1_14 C6_14 H6_14 119.5 . . ?
C5_14 C6_14 H6_14 119.5 . . ?
C2_15 C1_15 C6_15 119.4(7) . . ?
C2_15 C1_15 P1_11 123.2(5) . . ?
C6_15 C1_15 P1_11 117.3(5) . . ?
C1_15 C2_15 C3_15 119.6(7) . . ?
C1_15 C2_15 H2_15 120.2 . . ?
C3_15 C2_15 H2_15 120.2 . . ?
C4_15 C3_15 C2_15 120.2(7) . . ?
C4_15 C3_15 H3_15 119.9 . . ?
C2_15 C3_15 H3_15 119.9 . . ?
C3_15 C4_15 C5_15 121.4(7) . . ?
C3_15 C4_15 H4_15 119.3 . . ?
C5_15 C4_15 H4_15 119.3 . . ?
C6_15 C5_15 C4_15 118.8(7) . . ?
C6_15 C5_15 H5_15 120.6 . . ?
C4_15 C5_15 H5_15 120.6 . . ?
C5_15 C6_15 C1_15 120.6(8) . . ?
C5_15 C6_15 H6_15 119.7 . . ?
C1_15 C6_15 H6_15 119.7 . . ?
C2_16 C1_16 C6_16 119.7(7) . . ?
C2_16 C1_16 P1_11 118.1(6) . . ?
C6_16 C1_16 P1_11 122.1(6) . . ?
C1_16 C2_16 C3_16 120.7(8) . . ?
C1_16 C2_16 H2_16 119.6 . . ?
C3_16 C2_16 H2_16 119.6 . . ?
C4_16 C3_16 C2_16 118.7(8) . . ?
C4_16 C3_16 H3_16 120.6 . . ?
C2_16 C3_16 H3_16 120.6 . . ?
C5_16 C4_16 C3_16 121.9(8) . . ?
C5_16 C4_16 H4_16 119.0 . . ?
C3_16 C4_16 H4_16 119.0 . . ?
C4_16 C5_16 C6_16 119.4(9) . . ?
C4_16 C5_16 H5_16 120.3 . . ?
C6_16 C5_16 H5_16 120.3 . . ?
C1_16 C6_16 C5_16 119.4(8) . . ?
C1_16 C6_16 H6_16 120.3 . . ?
C5_16 C6_16 H6_16 120.3 . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2_1 Mn1_1 Au1_1 P1_1 84.6(4) . . . . ?
C1_1 Mn1_1 Au1_1 P1_1 165.6(4) . . . . ?
B1_1 Mn1_1 Au1_1 P1_1 -159.2(4) . . . . ?
C3_2 Mn1_1 Au1_1 P1_1 -41.5(5) . . . . ?
C5_2 Mn1_1 Au1_1 P1_1 -16.6(4) . . . . ?
C4_2 Mn1_1 Au1_1 P1_1 -0.6(4) . . . . ?
C2_2 Mn1_1 Au1_1 P1_1 -73.8(4) . . . . ?
C1_2 Mn1_1 Au1_1 P1_1 -55.1(4) . . . . ?
C2_1 Mn1_1 Au1_1 B1_1 -116.3(4) . . . . ?
C1_1 Mn1_1 Au1_1 B1_1 -35.2(4) . . . . ?
C3_2 Mn1_1 Au1_1 B1_1 117.7(5) . . . . ?
C5_2 Mn1_1 Au1_1 B1_1 142.6(4) . . . . ?
C4_2 Mn1_1 Au1_1 B1_1 158.6(4) . . . . ?
C2_2 Mn1_1 Au1_1 B1_1 85.4(4) . . . . ?
C1_2 Mn1_1 Au1_1 B1_1 104.1(4) . . . . ?
B1_1 Au1_1 P1_1 C1_6 54.1(4) . . . . ?
Mn1_1 Au1_1 P1_1 C1_6 -151.5(3) . . . . ?
B1_1 Au1_1 P1_1 C1_5 -66.3(4) . . . . ?
Mn1_1 Au1_1 P1_1 C1_5 88.1(3) . . . . ?
B1_1 Au1_1 P1_1 C1_4 173.0(4) . . . . ?
Mn1_1 Au1_1 P1_1 C1_4 -32.6(4) . . . . ?
C2_1 Mn1_1 B1_1 C1_3 -33.8(8) . . . . ?
C1_1 Mn1_1 B1_1 C1_3 51.5(8) . . . . ?
C3_2 Mn1_1 B1_1 C1_3 123.8(7) . . . . ?
C5_2 Mn1_1 B1_1 C1_3 -148.7(7) . . . . ?
C4_2 Mn1_1 B1_1 C1_3 172.2(9) . . . . ?
C2_2 Mn1_1 B1_1 C1_3 148.0(8) . . . . ?
C1_2 Mn1_1 B1_1 C1_3 -174.0(8) . . . . ?
Au1_1 Mn1_1 B1_1 C1_3 -98.2(8) . . . . ?
C2_1 Mn1_1 B1_1 Cl1_1 167.4(4) . . . . ?
C1_1 Mn1_1 B1_1 Cl1_1 -107.4(5) . . . . ?
C3_2 Mn1_1 B1_1 Cl1_1 -35.1(7) . . . . ?
C5_2 Mn1_1 B1_1 Cl1_1 52.5(6) . . . . ?
C4_2 Mn1_1 B1_1 Cl1_1 13.4(13) . . . . ?
C2_2 Mn1_1 B1_1 Cl1_1 -10.8(5) . . . . ?
C1_2 Mn1_1 B1_1 Cl1_1 27.1(5) . . . . ?
Au1_1 Mn1_1 B1_1 Cl1_1 102.9(5) . . . . ?
C2_1 Mn1_1 B1_1 Au1_1 64.5(3) . . . . ?
C1_1 Mn1_1 B1_1 Au1_1 149.7(3) . . . . ?
C3_2 Mn1_1 B1_1 Au1_1 -138.0(4) . . . . ?
C5_2 Mn1_1 B1_1 Au1_1 -50.4(4) . . . . ?
C4_2 Mn1_1 B1_1 Au1_1 -89.5(10) . . . . ?
C2_2 Mn1_1 B1_1 Au1_1 -113.7(2) . . . . ?
C1_2 Mn1_1 B1_1 Au1_1 -75.8(3) . . . . ?
P1_1 Au1_1 B1_1 C1_3 -54.9(7) . . . . ?
Mn1_1 Au1_1 B1_1 C1_3 131.9(7) . . . . ?
P1_1 Au1_1 B1_1 Cl1_1 64.0(5) . . . . ?
Mn1_1 Au1_1 B1_1 Cl1_1 -109.1(5) . . . . ?
P1_1 Au1_1 B1_1 Mn1_1 173.15(12) . . . . ?
C2_1 Mn1_1 C1_2 C2_2 145.6(6) . . . . ?
C1_1 Mn1_1 C1_2 C2_2 -21.6(8) . . . . ?
B1_1 Mn1_1 C1_2 C2_2 -95.3(6) . . . . ?
C3_2 Mn1_1 C1_2 C2_2 37.0(5) . . . . ?
C5_2 Mn1_1 C1_2 C2_2 117.6(8) . . . . ?
C4_2 Mn1_1 C1_2 C2_2 79.9(6) . . . . ?
Au1_1 Mn1_1 C1_2 C2_2 -151.5(5) . . . . ?
C2_1 Mn1_1 C1_2 C5_2 28.0(8) . . . . ?
C1_1 Mn1_1 C1_2 C5_2 -139.1(5) . . . . ?
B1_1 Mn1_1 C1_2 C5_2 147.1(5) . . . . ?
C3_2 Mn1_1 C1_2 C5_2 -80.5(5) . . . . ?
C4_2 Mn1_1 C1_2 C5_2 -37.6(5) . . . . ?
C2_2 Mn1_1 C1_2 C5_2 -117.6(8) . . . . ?
Au1_1 Mn1_1 C1_2 C5_2 91.0(5) . . . . ?
C5_2 C1_2 C2_2 C3_2 0.9(9) . . . . ?
Mn1_1 C1_2 C2_2 C3_2 -60.1(5) . . . . ?
C5_2 C1_2 C2_2 Mn1_1 61.0(6) . . . . ?
C2_1 Mn1_1 C2_2 C1_2 -85.1(9) . . . . ?
C1_1 Mn1_1 C2_2 C1_2 164.6(5) . . . . ?
B1_1 Mn1_1 C2_2 C1_2 90.5(6) . . . . ?
C3_2 Mn1_1 C2_2 C1_2 -119.3(8) . . . . ?
C5_2 Mn1_1 C2_2 C1_2 -37.9(5) . . . . ?
C4_2 Mn1_1 C2_2 C1_2 -81.2(6) . . . . ?
Au1_1 Mn1_1 C2_2 C1_2 31.4(6) . . . . ?
C2_1 Mn1_1 C2_2 C3_2 34.2(10) . . . . ?
C1_1 Mn1_1 C2_2 C3_2 -76.1(5) . . . . ?
B1_1 Mn1_1 C2_2 C3_2 -150.2(5) . . . . ?
C5_2 Mn1_1 C2_2 C3_2 81.4(6) . . . . ?
C4_2 Mn1_1 C2_2 C3_2 38.1(5) . . . . ?
C1_2 Mn1_1 C2_2 C3_2 119.3(8) . . . . ?
Au1_1 Mn1_1 C2_2 C3_2 150.8(4) . . . . ?
C1_2 C2_2 C3_2 C4_2 -1.4(9) . . . . ?
Mn1_1 C2_2 C3_2 C4_2 -62.5(6) . . . . ?
C1_2 C2_2 C3_2 Mn1_1 61.1(5) . . . . ?
C2_1 Mn1_1 C3_2 C4_2 -47.8(7) . . . . ?
C1_1 Mn1_1 C3_2 C4_2 -136.6(6) . . . . ?
B1_1 Mn1_1 C3_2 C4_2 157.6(6) . . . . ?
C5_2 Mn1_1 C3_2 C4_2 38.1(6) . . . . ?
C2_2 Mn1_1 C3_2 C4_2 116.9(8) . . . . ?
C1_2 Mn1_1 C3_2 C4_2 80.8(6) . . . . ?
Au1_1 Mn1_1 C3_2 C4_2 65.8(7) . . . . ?
C2_1 Mn1_1 C3_2 C2_2 -164.8(5) . . . . ?
C1_1 Mn1_1 C3_2 C2_2 106.4(5) . . . . ?
B1_1 Mn1_1 C3_2 C2_2 40.7(7) . . . . ?
C5_2 Mn1_1 C3_2 C2_2 -78.9(6) . . . . ?
C4_2 Mn1_1 C3_2 C2_2 -116.9(8) . . . . ?
C1_2 Mn1_1 C3_2 C2_2 -36.2(5) . . . . ?
Au1_1 Mn1_1 C3_2 C2_2 -51.2(7) . . . . ?
C2_2 C3_2 C4_2 C5_2 1.4(10) . . . . ?
Mn1_1 C3_2 C4_2 C5_2 -61.3(6) . . . . ?
C2_2 C3_2 C4_2 Mn1_1 62.7(6) . . . . ?
C2_1 Mn1_1 C4_2 C3_2 140.3(6) . . . . ?
C1_1 Mn1_1 C4_2 C3_2 49.5(7) . . . . ?
B1_1 Mn1_1 C4_2 C3_2 -64.8(13) . . . . ?
C5_2 Mn1_1 C4_2 C3_2 -117.2(8) . . . . ?
C2_2 Mn1_1 C4_2 C3_2 -38.1(5) . . . . ?
C1_2 Mn1_1 C4_2 C3_2 -79.9(6) . . . . ?
Au1_1 Mn1_1 C4_2 C3_2 -143.3(5) . . . . ?
C2_1 Mn1_1 C4_2 C5_2 -102.4(6) . . . . ?
C1_1 Mn1_1 C4_2 C5_2 166.7(6) . . . . ?
B1_1 Mn1_1 C4_2 C5_2 52.4(13) . . . . ?
C3_2 Mn1_1 C4_2 C5_2 117.2(8) . . . . ?
C2_2 Mn1_1 C4_2 C5_2 79.1(6) . . . . ?
C1_2 Mn1_1 C4_2 C5_2 37.3(5) . . . . ?
Au1_1 Mn1_1 C4_2 C5_2 -26.0(6) . . . . ?
C2_2 C1_2 C5_2 C4_2 0.0(9) . . . . ?
Mn1_1 C1_2 C5_2 C4_2 61.5(6) . . . . ?
C2_2 C1_2 C5_2 Mn1_1 -61.5(5) . . . . ?
C3_2 C4_2 C5_2 C1_2 -0.8(10) . . . . ?
Mn1_1 C4_2 C5_2 C1_2 -61.9(6) . . . . ?
C3_2 C4_2 C5_2 Mn1_1 61.1(6) . . . . ?
C2_1 Mn1_1 C5_2 C1_2 -160.3(5) . . . . ?
C1_1 Mn1_1 C5_2 C1_2 91.6(9) . . . . ?
B1_1 Mn1_1 C5_2 C1_2 -43.3(7) . . . . ?
C3_2 Mn1_1 C5_2 C1_2 80.2(5) . . . . ?
C4_2 Mn1_1 C5_2 C1_2 118.1(8) . . . . ?
C2_2 Mn1_1 C5_2 C1_2 37.2(5) . . . . ?
Au1_1 Mn1_1 C5_2 C1_2 -84.4(5) . . . . ?
C2_1 Mn1_1 C5_2 C4_2 81.7(6) . . . . ?
C1_1 Mn1_1 C5_2 C4_2 -26.4(11) . . . . ?
B1_1 Mn1_1 C5_2 C4_2 -161.4(5) . . . . ?
C3_2 Mn1_1 C5_2 C4_2 -37.9(5) . . . . ?
C2_2 Mn1_1 C5_2 C4_2 -80.9(6) . . . . ?
C1_2 Mn1_1 C5_2 C4_2 -118.1(8) . . . . ?
Au1_1 Mn1_1 C5_2 C4_2 157.5(5) . . . . ?
Cl1_1 B1_1 C1_3 C2_3 -61.2(8) . . . . ?
Mn1_1 B1_1 C1_3 C2_3 139.2(7) . . . . ?
Au1_1 B1_1 C1_3 C2_3 58.0(8) . . . . ?
Cl1_1 B1_1 C1_3 C4_3 57.2(8) . . . . ?
Mn1_1 B1_1 C1_3 C4_3 -102.4(9) . . . . ?
Au1_1 B1_1 C1_3 C4_3 176.4(6) . . . . ?
Cl1_1 B1_1 C1_3 C3_3 178.9(6) . . . . ?
Mn1_1 B1_1 C1_3 C3_3 19.3(10) . . . . ?
Au1_1 B1_1 C1_3 C3_3 -61.9(7) . . . . ?
C1_6 P1_1 C1_4 C2_4 -24.2(7) . . . . ?
C1_5 P1_1 C1_4 C2_4 87.7(6) . . . . ?
Au1_1 P1_1 C1_4 C2_4 -146.9(5) . . . . ?
C1_6 P1_1 C1_4 C6_4 159.4(5) . . . . ?
C1_5 P1_1 C1_4 C6_4 -88.7(6) . . . . ?
Au1_1 P1_1 C1_4 C6_4 36.7(6) . . . . ?
C6_4 C1_4 C2_4 C3_4 -0.3(10) . . . . ?
P1_1 C1_4 C2_4 C3_4 -176.6(5) . . . . ?
C1_4 C2_4 C3_4 C4_4 1.2(11) . . . . ?
C2_4 C3_4 C4_4 C5_4 -1.8(11) . . . . ?
C3_4 C4_4 C5_4 C6_4 1.5(11) . . . . ?
C4_4 C5_4 C6_4 C1_4 -0.6(10) . . . . ?
C2_4 C1_4 C6_4 C5_4 0.0(10) . . . . ?
P1_1 C1_4 C6_4 C5_4 176.5(5) . . . . ?
C1_6 P1_1 C1_5 C6_5 69.0(6) . . . . ?
C1_4 P1_1 C1_5 C6_5 -41.1(7) . . . . ?
Au1_1 P1_1 C1_5 C6_5 -168.0(5) . . . . ?
C1_6 P1_1 C1_5 C2_5 -109.8(6) . . . . ?
C1_4 P1_1 C1_5 C2_5 140.0(6) . . . . ?
Au1_1 P1_1 C1_5 C2_5 13.1(6) . . . . ?
C6_5 C1_5 C2_5 C3_5 -0.2(11) . . . . ?
P1_1 C1_5 C2_5 C3_5 178.7(5) . . . . ?
C1_5 C2_5 C3_5 C4_5 -0.7(11) . . . . ?
C2_5 C3_5 C4_5 C5_5 1.1(12) . . . . ?
C3_5 C4_5 C5_5 C6_5 -0.7(12) . . . . ?
C4_5 C5_5 C6_5 C1_5 -0.2(11) . . . . ?
C2_5 C1_5 C6_5 C5_5 0.6(10) . . . . ?
P1_1 C1_5 C6_5 C5_5 -178.2(5) . . . . ?
C1_5 P1_1 C1_6 C6_6 -179.4(6) . . . . ?
C1_4 P1_1 C1_6 C6_6 -69.1(6) . . . . ?
Au1_1 P1_1 C1_6 C6_6 56.4(6) . . . . ?
C1_5 P1_1 C1_6 C2_6 0.9(7) . . . . ?
C1_4 P1_1 C1_6 C2_6 111.2(6) . . . . ?
Au1_1 P1_1 C1_6 C2_6 -123.3(5) . . . . ?
C6_6 C1_6 C2_6 C3_6 -0.4(10) . . . . ?
P1_1 C1_6 C2_6 C3_6 179.3(6) . . . . ?
C1_6 C2_6 C3_6 C4_6 1.9(11) . . . . ?
C2_6 C3_6 C4_6 C5_6 -2.5(12) . . . . ?
C3_6 C4_6 C5_6 C6_6 1.6(11) . . . . ?
C4_6 C5_6 C6_6 C1_6 -0.2(11) . . . . ?
C2_6 C1_6 C6_6 C5_6 -0.4(11) . . . . ?
P1_1 C1_6 C6_6 C5_6 179.8(6) . . . . ?
C1_11 Mn1_11 C2_11 Au1_11 124.5(3) . . . . ?
B1_11 Mn1_11 C2_11 Au1_11 52.0(3) . . . . ?
C3_12 Mn1_11 C2_11 Au1_11 -146.5(4) . . . . ?
C4_12 Mn1_11 C2_11 Au1_11 -120.3(10) . . . . ?
C5_12 Mn1_11 C2_11 Au1_11 -64.1(6) . . . . ?
C1_12 Mn1_11 C2_11 Au1_11 -81.5(3) . . . . ?
C2_12 Mn1_11 C2_11 Au1_11 -119.1(3) . . . . ?
C1_11 Mn1_11 Au1_11 B1_11 34.4(4) . . . . ?
C2_11 Mn1_11 Au1_11 B1_11 113.7(4) . . . . ?
C3_12 Mn1_11 Au1_11 B1_11 -121.3(7) . . . . ?
C4_12 Mn1_11 Au1_11 B1_11 -86.4(4) . . . . ?
C5_12 Mn1_11 Au1_11 B1_11 -106.8(5) . . . . ?
C1_12 Mn1_11 Au1_11 B1_11 -145.6(5) . . . . ?
C2_12 Mn1_11 Au1_11 B1_11 -160.5(5) . . . . ?
C1_11 Mn1_11 Au1_11 P1_11 -162.5(4) . . . . ?
C2_11 Mn1_11 Au1_11 P1_11 -83.1(4) . . . . ?
B1_11 Mn1_11 Au1_11 P1_11 163.1(4) . . . . ?
C3_12 Mn1_11 Au1_11 P1_11 41.8(7) . . . . ?
C4_12 Mn1_11 Au1_11 P1_11 76.8(4) . . . . ?
C5_12 Mn1_11 Au1_11 P1_11 56.3(4) . . . . ?
C1_12 Mn1_11 Au1_11 P1_11 17.5(5) . . . . ?
C2_12 Mn1_11 Au1_11 P1_11 2.6(5) . . . . ?
C1_11 Mn1_11 Au1_11 C2_11 -79.4(5) . . . . ?
B1_11 Mn1_11 Au1_11 C2_11 -113.7(4) . . . . ?
C3_12 Mn1_11 Au1_11 C2_11 124.9(7) . . . . ?
C4_12 Mn1_11 Au1_11 C2_11 159.9(5) . . . . ?
C5_12 Mn1_11 Au1_11 C2_11 139.5(5) . . . . ?
C1_12 Mn1_11 Au1_11 C2_11 100.6(5) . . . . ?
C2_12 Mn1_11 Au1_11 C2_11 85.7(5) . . . . ?
O2_11 C2_11 Au1_11 B1_11 131.5(9) . . . . ?
Mn1_11 C2_11 Au1_11 B1_11 -48.2(3) . . . . ?
O2_11 C2_11 Au1_11 P1_11 -17.8(10) . . . . ?
Mn1_11 C2_11 Au1_11 P1_11 162.48(11) . . . . ?
O2_11 C2_11 Au1_11 Mn1_11 179.7(10) . . . . ?
B1_11 Au1_11 P1_11 C1_14 56.9(5) . . . . ?
Mn1_11 Au1_11 P1_11 C1_14 -102.6(4) . . . . ?
C2_11 Au1_11 P1_11 C1_14 -172.4(4) . . . . ?
B1_11 Au1_11 P1_11 C1_15 -65.2(4) . . . . ?
Mn1_11 Au1_11 P1_11 C1_15 135.4(3) . . . . ?
C2_11 Au1_11 P1_11 C1_15 65.5(4) . . . . ?
B1_11 Au1_11 P1_11 C1_16 175.9(5) . . . . ?
Mn1_11 Au1_11 P1_11 C1_16 16.5(4) . . . . ?
C2_11 Au1_11 P1_11 C1_16 -53.4(4) . . . . ?
C1_11 Mn1_11 B1_11 C1_13 -51.1(9) . . . . ?
C2_11 Mn1_11 B1_11 C1_13 35.1(9) . . . . ?
C3_12 Mn1_11 B1_11 C1_13 -123.0(9) . . . . ?
C4_12 Mn1_11 B1_11 C1_13 -147.6(9) . . . . ?
C5_12 Mn1_11 B1_11 C1_13 174.3(9) . . . . ?
C1_12 Mn1_11 B1_11 C1_13 146.2(8) . . . . ?
C2_12 Mn1_11 B1_11 C1_13 -176.5(11) . . . . ?
Au1_11 Mn1_11 B1_11 C1_13 99.2(9) . . . . ?
C1_11 Mn1_11 B1_11 Cl1_11 107.6(5) . . . . ?
C2_11 Mn1_11 B1_11 Cl1_11 -166.2(5) . . . . ?
C3_12 Mn1_11 B1_11 Cl1_11 35.7(8) . . . . ?
C4_12 Mn1_11 B1_11 Cl1_11 11.0(5) . . . . ?
C5_12 Mn1_11 B1_11 Cl1_11 -27.1(5) . . . . ?
C1_12 Mn1_11 B1_11 Cl1_11 -55.1(7) . . . . ?
C2_12 Mn1_11 B1_11 Cl1_11 -17.9(17) . . . . ?
Au1_11 Mn1_11 B1_11 Cl1_11 -102.1(5) . . . . ?
C1_11 Mn1_11 B1_11 Au1_11 -150.3(4) . . . . ?
C2_11 Mn1_11 B1_11 Au1_11 -64.1(3) . . . . ?
C3_12 Mn1_11 B1_11 Au1_11 137.8(5) . . . . ?
C4_12 Mn1_11 B1_11 Au1_11 113.1(3) . . . . ?
C5_12 Mn1_11 B1_11 Au1_11 75.1(3) . . . . ?
C1_12 Mn1_11 B1_11 Au1_11 47.0(6) . . . . ?
C2_12 Mn1_11 B1_11 Au1_11 84.3(14) . . . . ?
P1_11 Au1_11 B1_11 C1_13 51.9(7) . . . . ?
Mn1_11 Au1_11 B1_11 C1_13 -133.3(7) . . . . ?
C2_11 Au1_11 B1_11 C1_13 -95.9(6) . . . . ?
P1_11 Au1_11 B1_11 Cl1_11 -66.2(6) . . . . ?
Mn1_11 Au1_11 B1_11 Cl1_11 108.6(5) . . . . ?
C2_11 Au1_11 B1_11 Cl1_11 146.0(5) . . . . ?
P1_11 Au1_11 B1_11 Mn1_11 -174.73(13) . . . . ?
C2_11 Au1_11 B1_11 Mn1_11 37.4(3) . . . . ?
C1_11 Mn1_11 C1_12 C2_12 21.6(15) . . . . ?
C2_11 Mn1_11 C1_12 C2_12 -84.8(8) . . . . ?
B1_11 Mn1_11 C1_12 C2_12 163.1(7) . . . . ?
C3_12 Mn1_11 C1_12 C2_12 36.7(8) . . . . ?
C4_12 Mn1_11 C1_12 C2_12 80.7(8) . . . . ?
C5_12 Mn1_11 C1_12 C2_12 115.3(10) . . . . ?
Au1_11 Mn1_11 C1_12 C2_12 -158.4(8) . . . . ?
C1_11 Mn1_11 C1_12 C5_12 -93.7(11) . . . . ?
C2_11 Mn1_11 C1_12 C5_12 159.9(6) . . . . ?
B1_11 Mn1_11 C1_12 C5_12 47.9(8) . . . . ?
C3_12 Mn1_11 C1_12 C5_12 -78.6(7) . . . . ?
C4_12 Mn1_11 C1_12 C5_12 -34.5(6) . . . . ?
C2_12 Mn1_11 C1_12 C5_12 -115.3(10) . . . . ?
Au1_11 Mn1_11 C1_12 C5_12 86.3(6) . . . . ?
C5_12 C1_12 C2_12 C3_12 2.6(13) . . . . ?
Mn1_11 C1_12 C2_12 C3_12 -59.6(8) . . . . ?
C5_12 C1_12 C2_12 Mn1_11 62.2(7) . . . . ?
C1_11 Mn1_11 C2_12 C1_12 -169.2(8) . . . . ?
C2_11 Mn1_11 C2_12 C1_12 99.4(8) . . . . ?
B1_11 Mn1_11 C2_12 C1_12 -49.5(18) . . . . ?
C3_12 Mn1_11 C2_12 C1_12 -119.7(12) . . . . ?
C4_12 Mn1_11 C2_12 C1_12 -81.1(8) . . . . ?
C5_12 Mn1_11 C2_12 C1_12 -39.3(8) . . . . ?
Au1_11 Mn1_11 C2_12 C1_12 24.8(9) . . . . ?
C1_11 Mn1_11 C2_12 C3_12 -49.5(9) . . . . ?
C2_11 Mn1_11 C2_12 C3_12 -141.0(8) . . . . ?
B1_11 Mn1_11 C2_12 C3_12 70.1(17) . . . . ?
C4_12 Mn1_11 C2_12 C3_12 38.5(7) . . . . ?
C5_12 Mn1_11 C2_12 C3_12 80.3(8) . . . . ?
C1_12 Mn1_11 C2_12 C3_12 119.7(12) . . . . ?
Au1_11 Mn1_11 C2_12 C3_12 144.4(7) . . . . ?
C1_12 C2_12 C3_12 C4_12 -1.0(13) . . . . ?
Mn1_11 C2_12 C3_12 C4_12 -61.4(7) . . . . ?
C1_12 C2_12 C3_12 Mn1_11 60.4(8) . . . . ?
C1_11 Mn1_11 C3_12 C2_12 137.0(8) . . . . ?
C2_11 Mn1_11 C3_12 C2_12 47.9(9) . . . . ?
B1_11 Mn1_11 C3_12 C2_12 -157.7(8) . . . . ?
C4_12 Mn1_11 C3_12 C2_12 -117.6(10) . . . . ?
C5_12 Mn1_11 C3_12 C2_12 -79.3(8) . . . . ?
C1_12 Mn1_11 C3_12 C2_12 -36.1(8) . . . . ?
Au1_11 Mn1_11 C3_12 C2_12 -63.2(11) . . . . ?
C1_11 Mn1_11 C3_12 C4_12 -105.3(6) . . . . ?
C2_11 Mn1_11 C3_12 C4_12 165.5(6) . . . . ?
B1_11 Mn1_11 C3_12 C4_12 -40.0(8) . . . . ?
C5_12 Mn1_11 C3_12 C4_12 38.3(6) . . . . ?
C1_12 Mn1_11 C3_12 C4_12 81.5(7) . . . . ?
C2_12 Mn1_11 C3_12 C4_12 117.6(10) . . . . ?
Au1_11 Mn1_11 C3_12 C4_12 54.5(9) . . . . ?
C2_12 C3_12 C4_12 C5_12 -1.1(11) . . . . ?
Mn1_11 C3_12 C4_12 C5_12 -63.5(6) . . . . ?
C2_12 C3_12 C4_12 Mn1_11 62.4(8) . . . . ?
C1_11 Mn1_11 C4_12 C5_12 -167.8(7) . . . . ?
C2_11 Mn1_11 C4_12 C5_12 78.6(13) . . . . ?
B1_11 Mn1_11 C4_12 C5_12 -93.8(7) . . . . ?
C3_12 Mn1_11 C4_12 C5_12 114.5(10) . . . . ?
C1_12 Mn1_11 C4_12 C5_12 35.6(7) . . . . ?
C2_12 Mn1_11 C4_12 C5_12 77.2(8) . . . . ?
Au1_11 Mn1_11 C4_12 C5_12 -34.7(8) . . . . ?
C1_11 Mn1_11 C4_12 C3_12 77.7(6) . . . . ?
C2_11 Mn1_11 C4_12 C3_12 -35.9(13) . . . . ?
B1_11 Mn1_11 C4_12 C3_12 151.7(6) . . . . ?
C5_12 Mn1_11 C4_12 C3_12 -114.5(10) . . . . ?
C1_12 Mn1_11 C4_12 C3_12 -78.9(7) . . . . ?
C2_12 Mn1_11 C4_12 C3_12 -37.2(6) . . . . ?
Au1_11 Mn1_11 C4_12 C3_12 -149.2(5) . . . . ?
C3_12 C4_12 C5_12 C1_12 2.8(11) . . . . ?
Mn1_11 C4_12 C5_12 C1_12 -59.6(7) . . . . ?
C3_12 C4_12 C5_12 Mn1_11 62.4(7) . . . . ?
C2_12 C1_12 C5_12 C4_12 -3.4(12) . . . . ?
Mn1_11 C1_12 C5_12 C4_12 59.5(7) . . . . ?
C2_12 C1_12 C5_12 Mn1_11 -62.9(8) . . . . ?
C1_11 Mn1_11 C5_12 C4_12 17.3(10) . . . . ?
C2_11 Mn1_11 C5_12 C4_12 -150.4(7) . . . . ?
B1_11 Mn1_11 C5_12 C4_12 93.2(7) . . . . ?
C3_12 Mn1_11 C5_12 C4_12 -40.6(7) . . . . ?
C1_12 Mn1_11 C5_12 C4_12 -122.2(10) . . . . ?
C2_12 Mn1_11 C5_12 C4_12 -83.7(7) . . . . ?
Au1_11 Mn1_11 C5_12 C4_12 148.6(7) . . . . ?
C1_11 Mn1_11 C5_12 C1_12 139.5(6) . . . . ?
C2_11 Mn1_11 C5_12 C1_12 -28.2(9) . . . . ?
B1_11 Mn1_11 C5_12 C1_12 -144.6(6) . . . . ?
C3_12 Mn1_11 C5_12 C1_12 81.6(7) . . . . ?
C4_12 Mn1_11 C5_12 C1_12 122.2(10) . . . . ?
C2_12 Mn1_11 C5_12 C1_12 38.4(6) . . . . ?
Au1_11 Mn1_11 C5_12 C1_12 -89.2(6) . . . . ?
Cl1_11 B1_11 C1_13 C3_13 -59.6(8) . . . . ?
Mn1_11 B1_11 C1_13 C3_13 99.7(10) . . . . ?
Au1_11 B1_11 C1_13 C3_13 -177.5(6) . . . . ?
Cl1_11 B1_11 C1_13 C4_13 178.0(6) . . . . ?
Mn1_11 B1_11 C1_13 C4_13 -22.7(12) . . . . ?
Au1_11 B1_11 C1_13 C4_13 60.0(8) . . . . ?
Cl1_11 B1_11 C1_13 C2_13 59.2(8) . . . . ?
Mn1_11 B1_11 C1_13 C2_13 -141.5(8) . . . . ?
Au1_11 B1_11 C1_13 C2_13 -58.7(8) . . . . ?
C1_15 P1_11 C1_14 C2_14 115.0(6) . . . . ?
C1_16 P1_11 C1_14 C2_14 -133.3(6) . . . . ?
Au1_11 P1_11 C1_14 C2_14 -9.7(6) . . . . ?
C1_15 P1_11 C1_14 C6_14 -65.5(6) . . . . ?
C1_16 P1_11 C1_14 C6_14 46.2(6) . . . . ?
Au1_11 P1_11 C1_14 C6_14 169.8(5) . . . . ?
C6_14 C1_14 C2_14 C3_14 1.2(11) . . . . ?
P1_11 C1_14 C2_14 C3_14 -179.3(6) . . . . ?
C1_14 C2_14 C3_14 C4_14 0.3(12) . . . . ?
C2_14 C3_14 C4_14 C5_14 -1.2(12) . . . . ?
C3_14 C4_14 C5_14 C6_14 0.6(11) . . . . ?
C2_14 C1_14 C6_14 C5_14 -1.8(11) . . . . ?
P1_11 C1_14 C6_14 C5_14 178.7(5) . . . . ?
C4_14 C5_14 C6_14 C1_14 0.9(11) . . . . ?
C1_14 P1_11 C1_15 C2_15 -2.5(7) . . . . ?
C1_16 P1_11 C1_15 C2_15 -113.8(6) . . . . ?
Au1_11 P1_11 C1_15 C2_15 123.0(6) . . . . ?
C1_14 P1_11 C1_15 C6_15 -178.7(5) . . . . ?
C1_16 P1_11 C1_15 C6_15 70.0(6) . . . . ?
Au1_11 P1_11 C1_15 C6_15 -53.2(6) . . . . ?
C6_15 C1_15 C2_15 C3_15 -3.7(11) . . . . ?
P1_11 C1_15 C2_15 C3_15 -179.8(6) . . . . ?
C1_15 C2_15 C3_15 C4_15 0.2(12) . . . . ?
C2_15 C3_15 C4_15 C5_15 2.5(12) . . . . ?
C3_15 C4_15 C5_15 C6_15 -1.8(12) . . . . ?
C4_15 C5_15 C6_15 C1_15 -1.8(11) . . . . ?
C2_15 C1_15 C6_15 C5_15 4.5(11) . . . . ?
P1_11 C1_15 C6_15 C5_15 -179.2(6) . . . . ?
C1_14 P1_11 C1_16 C2_16 78.6(6) . . . . ?
C1_15 P1_11 C1_16 C2_16 -168.3(6) . . . . ?
Au1_11 P1_11 C1_16 C2_16 -45.5(6) . . . . ?
C1_14 P1_11 C1_16 C6_16 -98.8(7) . . . . ?
C1_15 P1_11 C1_16 C6_16 14.3(7) . . . . ?
Au1_11 P1_11 C1_16 C6_16 137.2(6) . . . . ?
C6_16 C1_16 C2_16 C3_16 -0.6(11) . . . . ?
P1_11 C1_16 C2_16 C3_16 -178.0(6) . . . . ?
C1_16 C2_16 C3_16 C4_16 1.1(12) . . . . ?
C2_16 C3_16 C4_16 C5_16 -2.2(13) . . . . ?
C3_16 C4_16 C5_16 C6_16 2.8(14) . . . . ?
C2_16 C1_16 C6_16 C5_16 1.1(12) . . . . ?
P1_11 C1_16 C6_16 C5_16 178.5(7) . . . . ?
C4_16 C5_16 C6_16 C1_16 -2.2(14) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         2.515
_refine_diff_density_min         -1.406
_refine_diff_density_rms         0.133
_database_code_depnum_ccdc_archive 'CCDC 946438'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_3

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
?
;
_chemical_name_common            
;
?
;
_chemical_melting_point          ?
_chemical_formula_moiety         'C29 H47 Au B Cl Mn O2 P'

_chemical_formula_sum            'C29 H47 Au B Cl Mn O2 P'
_chemical_formula_weight         756.80

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n
_symmetry_space_group_name_Hall  '-P 2yn'

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                   14.0823(5)
_cell_length_b                   15.4623(6)
_cell_length_c                   14.7133(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 112.0010(10)
_cell_angle_gamma                90.00
_cell_volume                     2970.44(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    8106
_cell_measurement_theta_min      2.53
_cell_measurement_theta_max      27.11

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.509
_exptl_crystal_size_mid          0.408
_exptl_crystal_size_min          0.318
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.692
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1512
_exptl_absorpt_coefficient_mu    5.527
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.4780
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   'Sadabs 2008/1 (Bruker 2008)'

_exptl_special_details           
; 
 The crystal was immersed in a film of perfluoropolyether oil, mounted
on a polyimide microloop (MicroMounts of MiTeGen) and transferred to
stream of cold nitrogen (Oxford Cryostream 700). 
;
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-2.00 1.00 0.00 0.2160
2.00 -1.00 0.00 0.1510
-2.00 -1.00 -1.00 0.1590
2.00 1.00 1.00 0.1090
-2.00 2.00 1.00 0.2480
2.00 -2.00 -1.00 0.1910
-2.00 -2.00 1.00 0.2140
2.00 1.00 -1.00 0.2290
2.00 2.00 -1.00 0.2110
0.00 1.00 0.00 0.1970
0.00 -1.00 0.00 0.2030
-1.00 -1.00 1.00 0.2080
-1.00 0.00 1.00 0.2620
1.00 0.00 -1.00 0.2630
-2.00 1.00 2.00 0.2500
2.00 -1.00 -2.00 0.2660
-1.00 -2.00 2.00 0.1600
1.00 2.00 -2.00 0.2020
-1.00 1.00 1.00 0.2520
0.00 -2.00 1.00 0.1250
0.00 2.00 -1.00 0.2140
0.00 -1.00 1.00 0.0930
0.00 1.00 -1.00 0.1990
-1.00 1.00 2.00 0.2420
0.00 -1.00 -2.00 0.2490
0.00 1.00 2.00 0.2070
-1.00 1.00 -1.00 0.1570
1.00 -1.00 1.00 0.1060


_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_measurement_device_type  'Bruker X8-APEX II'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            56814
_diffrn_reflns_av_R_equivalents  0.0661
_diffrn_reflns_av_sigmaI/netI    0.0385
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.71
_diffrn_reflns_theta_max         27.16
_reflns_number_total             6585
_reflns_number_gt                5652
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 ver. 2010.3 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. 7.68A (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 7.68A (Bruker AXS)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP ver. 5.1 (Bruker AXS, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_refine_special_details          
; 
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F^2^, conventional R-factors R are based 
 on F, with F set to zero for negative F^2^. The threshold expression of 
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0235P)^2^+1.5409P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6585
_refine_ls_number_parameters     328
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0329
_refine_ls_R_factor_gt           0.0246
_refine_ls_wR_factor_ref         0.0572
_refine_ls_wR_factor_gt          0.0545
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.401933(9) 0.185162(7) 0.608632(8) 0.01076(5) Uani 1 1 d . . .
Mn1 Mn 0.38166(4) 0.31769(3) 0.49702(3) 0.01112(10) Uani 1 1 d . . .
P1 P 0.36820(6) 0.05352(5) 0.66618(6) 0.01048(16) Uani 1 1 d . . .
C1 C 0.4063(2) 0.4243(2) 0.5427(2) 0.0138(7) Uani 1 1 d . . .
O1 O 0.41907(18) 0.49646(15) 0.56454(17) 0.0223(5) Uani 1 1 d . . .
C2 C 0.2645(3) 0.3212(2) 0.5162(2) 0.0158(7) Uani 1 1 d . . .
O2 O 0.18628(18) 0.32919(15) 0.52448(18) 0.0220(5) Uani 1 1 d . . .
B1 B 0.4909(3) 0.3136(2) 0.6418(3) 0.0142(8) Uani 1 1 d . . .
Cl1 Cl 0.62420(6) 0.29735(5) 0.64930(6) 0.01853(17) Uani 1 1 d . . .
C1_1 C 0.3945(2) 0.3651(2) 0.3658(2) 0.0156(7) Uani 1 1 d . . .
H1_1 H 0.3938 0.4249 0.3509 0.019 Uiso 1 1 calc R . .
C2_1 C 0.3081(3) 0.3108(2) 0.3404(2) 0.0170(7) Uani 1 1 d . . .
H2_1 H 0.2391 0.3274 0.3050 0.020 Uiso 1 1 calc R . .
C3_1 C 0.3423(2) 0.2273(2) 0.3771(2) 0.0149(7) Uani 1 1 d . . .
H3_1 H 0.3004 0.1779 0.3714 0.018 Uiso 1 1 calc R . .
C4_1 C 0.4508(2) 0.2305(2) 0.4243(2) 0.0151(7) Uani 1 1 d . . .
H4_1 H 0.4943 0.1834 0.4553 0.018 Uiso 1 1 calc R . .
C5_1 C 0.4822(3) 0.3155(2) 0.4169(2) 0.0163(7) Uani 1 1 d . . .
H5_1 H 0.5507 0.3360 0.4421 0.020 Uiso 1 1 calc R . .
C1_2 C 0.3407(2) -0.03617(19) 0.5763(2) 0.0107(6) Uani 1 1 d . . .
H1_2 H 0.4057 -0.0699 0.5934 0.013 Uiso 1 1 calc R . .
C2_2 C 0.3153(2) -0.0013(2) 0.4718(2) 0.0135(7) Uani 1 1 d . . .
H2A_2 H 0.2546 0.0369 0.4541 0.016 Uiso 1 1 calc R . .
H2B_2 H 0.3735 0.0338 0.4705 0.016 Uiso 1 1 calc R . .
C3_2 C 0.2935(2) -0.0736(2) 0.3958(2) 0.0144(7) Uani 1 1 d . . .
H3A_2 H 0.2709 -0.0479 0.3294 0.017 Uiso 1 1 calc R . .
H3B_2 H 0.3574 -0.1063 0.4071 0.017 Uiso 1 1 calc R . .
C4_2 C 0.2114(2) -0.1356(2) 0.4006(2) 0.0157(7) Uani 1 1 d . . .
H4A_2 H 0.1452 -0.1046 0.3818 0.019 Uiso 1 1 calc R . .
H4B_2 H 0.2027 -0.1835 0.3536 0.019 Uiso 1 1 calc R . .
C5_2 C 0.2409(3) -0.1721(2) 0.5036(2) 0.0157(7) Uani 1 1 d . . .
H5A_2 H 0.1858 -0.2108 0.5058 0.019 Uiso 1 1 calc R . .
H5B_2 H 0.3042 -0.2068 0.5202 0.019 Uiso 1 1 calc R . .
C6_2 C 0.2583(2) -0.1004(2) 0.5790(2) 0.0135(7) Uani 1 1 d . . .
H6A_2 H 0.2798 -0.1262 0.6452 0.016 Uiso 1 1 calc R . .
H6B_2 H 0.1933 -0.0690 0.5659 0.016 Uiso 1 1 calc R . .
C1_3 C 0.4715(2) 0.0140(2) 0.7782(2) 0.0114(6) Uani 1 1 d . . .
H1_3 H 0.4815 0.0587 0.8301 0.014 Uiso 1 1 calc R . .
C2_3 C 0.5726(2) 0.0087(2) 0.7604(2) 0.0162(7) Uani 1 1 d . . .
H2A_3 H 0.5645 -0.0328 0.7068 0.019 Uiso 1 1 calc R . .
H2B_3 H 0.5884 0.0661 0.7397 0.019 Uiso 1 1 calc R . .
C3_3 C 0.6612(2) -0.0200(2) 0.8526(2) 0.0209(8) Uani 1 1 d . . .
H3A_3 H 0.7234 -0.0276 0.8372 0.025 Uiso 1 1 calc R . .
H3B_3 H 0.6756 0.0256 0.9032 0.025 Uiso 1 1 calc R . .
C4_3 C 0.6373(3) -0.1044(2) 0.8929(3) 0.0237(8) Uani 1 1 d . . .
H4A_3 H 0.6308 -0.1516 0.8454 0.028 Uiso 1 1 calc R . .
H4B_3 H 0.6945 -0.1191 0.9548 0.028 Uiso 1 1 calc R . .
C5_3 C 0.5389(3) -0.0977(2) 0.9118(2) 0.0225(8) Uani 1 1 d . . .
H5A_3 H 0.5475 -0.0544 0.9639 0.027 Uiso 1 1 calc R . .
H5B_3 H 0.5237 -0.1542 0.9350 0.027 Uiso 1 1 calc R . .
C6_3 C 0.4492(2) -0.0710(2) 0.8184(2) 0.0174(7) Uani 1 1 d . . .
H6A_3 H 0.4367 -0.1168 0.7682 0.021 Uiso 1 1 calc R . .
H6B_3 H 0.3865 -0.0649 0.8332 0.021 Uiso 1 1 calc R . .
C1_4 C 0.2526(2) 0.0681(2) 0.6948(2) 0.0115(6) Uani 1 1 d . . .
H1_4 H 0.2288 0.0100 0.7073 0.014 Uiso 1 1 calc R . .
C2_4 C 0.1679(2) 0.1090(2) 0.6058(2) 0.0156(7) Uani 1 1 d . . .
H2A_4 H 0.1932 0.1641 0.5889 0.019 Uiso 1 1 calc R . .
H2B_4 H 0.1513 0.0697 0.5488 0.019 Uiso 1 1 calc R . .
C3_4 C 0.0709(2) 0.1265(2) 0.6265(3) 0.0205(8) Uani 1 1 d . . .
H3A_4 H 0.0194 0.1556 0.5692 0.025 Uiso 1 1 calc R . .
H3B_4 H 0.0414 0.0709 0.6368 0.025 Uiso 1 1 calc R . .
C4_4 C 0.0946(3) 0.1833(2) 0.7170(3) 0.0246(8) Uani 1 1 d . . .
H4A_4 H 0.1179 0.2408 0.7044 0.029 Uiso 1 1 calc R . .
H4B_4 H 0.0317 0.1914 0.7310 0.029 Uiso 1 1 calc R . .
C5_4 C 0.1772(3) 0.1424(2) 0.8053(2) 0.0215(8) Uani 1 1 d . . .
H5A_4 H 0.1511 0.0874 0.8214 0.026 Uiso 1 1 calc R . .
H5B_4 H 0.1931 0.1815 0.8624 0.026 Uiso 1 1 calc R . .
C6_4 C 0.2749(2) 0.1245(2) 0.7867(2) 0.0176(7) Uani 1 1 d . . .
H6A_4 H 0.3250 0.0947 0.8442 0.021 Uiso 1 1 calc R . .
H6B_4 H 0.3055 0.1800 0.7780 0.021 Uiso 1 1 calc R . .
C1_5 C 0.4922(2) 0.3478(2) 0.7460(2) 0.0151(7) Uani 1 1 d . . .
C2_5 C 0.5584(2) 0.4301(2) 0.7812(2) 0.0188(7) Uani 1 1 d . . .
H2A_5 H 0.5643 0.4443 0.8480 0.028 Uiso 1 1 calc R . .
H2B_5 H 0.5261 0.4784 0.7374 0.028 Uiso 1 1 calc R . .
H2C_5 H 0.6268 0.4197 0.7805 0.028 Uiso 1 1 calc R . .
C3_5 C 0.5402(3) 0.2776(2) 0.8251(2) 0.0194(7) Uani 1 1 d . . .
H3A_5 H 0.5432 0.2989 0.8889 0.029 Uiso 1 1 calc R . .
H3B_5 H 0.6096 0.2643 0.8287 0.029 Uiso 1 1 calc R . .
H3C_5 H 0.4982 0.2251 0.8078 0.029 Uiso 1 1 calc R . .
C4_5 C 0.3830(3) 0.3676(2) 0.7438(2) 0.0192(7) Uani 1 1 d . . .
H4A_5 H 0.3404 0.3156 0.7236 0.029 Uiso 1 1 calc R . .
H4B_5 H 0.3523 0.4144 0.6971 0.029 Uiso 1 1 calc R . .
H4C_5 H 0.3876 0.3852 0.8093 0.029 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Au1 0.01385(7) 0.00867(7) 0.01055(7) 0.00057(5) 0.00548(5) -0.00106(5)
Mn1 0.0135(2) 0.0100(2) 0.0100(2) 0.00048(18) 0.00445(19) -0.00094(19)
P1 0.0117(4) 0.0099(4) 0.0104(4) 0.0002(3) 0.0048(3) -0.0006(3)
C1 0.0157(16) 0.0173(19) 0.0119(16) 0.0041(13) 0.0091(13) -0.0019(13)
O1 0.0334(14) 0.0146(14) 0.0216(13) -0.0005(10) 0.0133(11) -0.0030(11)
C2 0.0188(18) 0.0134(17) 0.0140(16) 0.0005(13) 0.0048(14) -0.0039(13)
O2 0.0167(13) 0.0242(14) 0.0273(14) 0.0004(10) 0.0109(11) 0.0011(10)
B1 0.0128(18) 0.013(2) 0.0172(19) 0.0026(15) 0.0057(15) 0.0013(15)
Cl1 0.0121(4) 0.0261(5) 0.0169(4) -0.0009(3) 0.0049(3) 0.0012(3)
C1_1 0.0223(18) 0.0154(18) 0.0108(16) 0.0019(13) 0.0082(14) -0.0027(14)
C2_1 0.0182(17) 0.0221(19) 0.0095(15) 0.0014(13) 0.0038(13) -0.0017(14)
C3_1 0.0203(17) 0.0156(18) 0.0097(15) -0.0020(13) 0.0066(13) -0.0051(14)
C4_1 0.0195(17) 0.0143(18) 0.0119(16) -0.0018(13) 0.0066(14) 0.0038(14)
C5_1 0.0159(16) 0.0231(19) 0.0114(16) -0.0019(13) 0.0068(13) -0.0025(14)
C1_2 0.0128(15) 0.0089(16) 0.0114(15) -0.0002(12) 0.0056(13) -0.0002(12)
C2_2 0.0150(16) 0.0137(17) 0.0131(16) 0.0001(13) 0.0068(13) -0.0008(13)
C3_2 0.0155(16) 0.0158(18) 0.0117(16) -0.0011(13) 0.0047(13) 0.0012(13)
C4_2 0.0171(17) 0.0155(18) 0.0151(16) -0.0021(13) 0.0068(14) 0.0008(13)
C5_2 0.0175(17) 0.0115(17) 0.0181(17) -0.0004(13) 0.0069(14) -0.0028(13)
C6_2 0.0164(16) 0.0141(17) 0.0120(15) 0.0005(12) 0.0074(13) -0.0002(13)
C1_3 0.0138(16) 0.0102(16) 0.0085(15) -0.0017(12) 0.0021(13) -0.0006(12)
C2_3 0.0126(16) 0.0170(18) 0.0177(17) 0.0012(13) 0.0042(14) -0.0014(13)
C3_3 0.0170(17) 0.0192(19) 0.0239(19) 0.0016(14) 0.0046(15) 0.0027(14)
C4_3 0.0208(18) 0.020(2) 0.0232(19) 0.0050(15) 0.0000(15) 0.0043(15)
C5_3 0.0238(19) 0.0207(19) 0.0199(18) 0.0096(15) 0.0046(15) 0.0015(15)
C6_3 0.0173(17) 0.0157(18) 0.0182(17) 0.0049(13) 0.0054(14) -0.0006(14)
C1_4 0.0142(15) 0.0077(16) 0.0144(16) -0.0007(12) 0.0074(13) -0.0022(12)
C2_4 0.0141(16) 0.0183(18) 0.0160(17) 0.0025(13) 0.0075(14) 0.0012(13)
C3_4 0.0163(17) 0.023(2) 0.0262(19) 0.0031(15) 0.0124(15) 0.0023(14)
C4_4 0.0239(19) 0.018(2) 0.040(2) -0.0024(16) 0.0209(18) 0.0037(15)
C5_4 0.028(2) 0.0179(19) 0.0248(19) -0.0068(15) 0.0172(16) -0.0008(15)
C6_4 0.0213(18) 0.0178(18) 0.0178(17) -0.0038(14) 0.0120(15) -0.0029(14)
C1_5 0.0139(16) 0.0158(17) 0.0152(16) -0.0021(13) 0.0051(13) 0.0012(13)
C2_5 0.0196(17) 0.0201(19) 0.0157(16) -0.0063(14) 0.0053(14) -0.0057(14)
C3_5 0.0218(18) 0.0203(19) 0.0131(16) -0.0014(14) 0.0033(14) 0.0002(15)
C4_5 0.033(2) 0.0141(18) 0.0200(18) 0.0017(14) 0.0217(16) 0.0057(15)

_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_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 B1 2.301(4) . ?
Au1 P1 2.3211(8) . ?
Au1 Mn1 2.5742(5) . ?
Mn1 C1 1.764(3) . ?
Mn1 C2 1.777(3) . ?
Mn1 B1 2.110(4) . ?
Mn1 C1_1 2.136(3) . ?
Mn1 C2_1 2.146(3) . ?
Mn1 C3_1 2.154(3) . ?
Mn1 C5_1 2.155(3) . ?
Mn1 C4_1 2.166(3) . ?
P1 C1_4 1.841(3) . ?
P1 C1_3 1.846(3) . ?
P1 C1_2 1.855(3) . ?
C1 O1 1.157(4) . ?
C2 O2 1.159(4) . ?
B1 C1_5 1.615(5) . ?
B1 Cl1 1.856(4) . ?
C1_1 C5_1 1.408(4) . ?
C1_1 C2_1 1.409(4) . ?
C1_1 H1_1 0.9500 . ?
C2_1 C3_1 1.413(4) . ?
C2_1 H2_1 0.9500 . ?
C3_1 C4_1 1.422(4) . ?
C3_1 H3_1 0.9500 . ?
C4_1 C5_1 1.404(4) . ?
C4_1 H4_1 0.9500 . ?
C5_1 H5_1 0.9500 . ?
C1_2 C2_2 1.538(4) . ?
C1_2 C6_2 1.539(4) . ?
C1_2 H1_2 1.0000 . ?
C2_2 C3_2 1.530(4) . ?
C2_2 H2A_2 0.9900 . ?
C2_2 H2B_2 0.9900 . ?
C3_2 C4_2 1.524(4) . ?
C3_2 H3A_2 0.9900 . ?
C3_2 H3B_2 0.9900 . ?
C4_2 C5_2 1.522(4) . ?
C4_2 H4A_2 0.9900 . ?
C4_2 H4B_2 0.9900 . ?
C5_2 C6_2 1.521(4) . ?
C5_2 H5A_2 0.9900 . ?
C5_2 H5B_2 0.9900 . ?
C6_2 H6A_2 0.9900 . ?
C6_2 H6B_2 0.9900 . ?
C1_3 C6_3 1.522(4) . ?
C1_3 C2_3 1.544(4) . ?
C1_3 H1_3 1.0000 . ?
C2_3 C3_3 1.525(4) . ?
C2_3 H2A_3 0.9900 . ?
C2_3 H2B_3 0.9900 . ?
C3_3 C4_3 1.522(5) . ?
C3_3 H3A_3 0.9900 . ?
C3_3 H3B_3 0.9900 . ?
C4_3 C5_3 1.516(5) . ?
C4_3 H4A_3 0.9900 . ?
C4_3 H4B_3 0.9900 . ?
C5_3 C6_3 1.535(4) . ?
C5_3 H5A_3 0.9900 . ?
C5_3 H5B_3 0.9900 . ?
C6_3 H6A_3 0.9900 . ?
C6_3 H6B_3 0.9900 . ?
C1_4 C2_4 1.539(4) . ?
C1_4 C6_4 1.539(4) . ?
C1_4 H1_4 1.0000 . ?
C2_4 C3_4 1.531(4) . ?
C2_4 H2A_4 0.9900 . ?
C2_4 H2B_4 0.9900 . ?
C3_4 C4_4 1.524(5) . ?
C3_4 H3A_4 0.9900 . ?
C3_4 H3B_4 0.9900 . ?
C4_4 C5_4 1.519(5) . ?
C4_4 H4A_4 0.9900 . ?
C4_4 H4B_4 0.9900 . ?
C5_4 C6_4 1.525(4) . ?
C5_4 H5A_4 0.9900 . ?
C5_4 H5B_4 0.9900 . ?
C6_4 H6A_4 0.9900 . ?
C6_4 H6B_4 0.9900 . ?
C1_5 C2_5 1.548(4) . ?
C1_5 C3_5 1.550(5) . ?
C1_5 C4_5 1.555(4) . ?
C2_5 H2A_5 0.9800 . ?
C2_5 H2B_5 0.9800 . ?
C2_5 H2C_5 0.9800 . ?
C3_5 H3A_5 0.9800 . ?
C3_5 H3B_5 0.9800 . ?
C3_5 H3C_5 0.9800 . ?
C4_5 H4A_5 0.9800 . ?
C4_5 H4B_5 0.9800 . ?
C4_5 H4C_5 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
B1 Au1 P1 148.12(9) . . ?
B1 Au1 Mn1 50.93(9) . . ?
P1 Au1 Mn1 160.38(2) . . ?
C1 Mn1 C2 88.45(14) . . ?
C1 Mn1 B1 71.22(14) . . ?
C2 Mn1 B1 102.08(14) . . ?
C1 Mn1 C1_1 87.30(13) . . ?
C2 Mn1 C1_1 122.15(14) . . ?
B1 Mn1 C1_1 130.27(13) . . ?
C1 Mn1 C2_1 113.75(13) . . ?
C2 Mn1 C2_1 93.95(14) . . ?
B1 Mn1 C2_1 163.45(14) . . ?
C1_1 Mn1 C2_1 38.43(12) . . ?
C1 Mn1 C3_1 150.66(13) . . ?
C2 Mn1 C3_1 100.42(13) . . ?
B1 Mn1 C3_1 132.36(13) . . ?
C1_1 Mn1 C3_1 64.23(12) . . ?
C2_1 Mn1 C3_1 38.37(12) . . ?
C1 Mn1 C5_1 98.48(13) . . ?
C2 Mn1 C5_1 158.00(14) . . ?
B1 Mn1 C5_1 99.91(13) . . ?
C1_1 Mn1 C5_1 38.30(12) . . ?
C2_1 Mn1 C5_1 64.13(12) . . ?
C3_1 Mn1 C5_1 64.01(12) . . ?
C1 Mn1 C4_1 135.15(13) . . ?
C2 Mn1 C4_1 135.54(13) . . ?
B1 Mn1 C4_1 100.82(13) . . ?
C1_1 Mn1 C4_1 63.95(12) . . ?
C2_1 Mn1 C4_1 64.16(12) . . ?
C3_1 Mn1 C4_1 38.44(11) . . ?
C5_1 Mn1 C4_1 37.91(12) . . ?
C1 Mn1 Au1 122.77(10) . . ?
C2 Mn1 Au1 79.07(10) . . ?
B1 Mn1 Au1 57.82(10) . . ?
C1_1 Mn1 Au1 145.42(9) . . ?
C2_1 Mn1 Au1 122.61(9) . . ?
C3_1 Mn1 Au1 86.49(9) . . ?
C5_1 Mn1 Au1 113.43(9) . . ?
C4_1 Mn1 Au1 81.75(9) . . ?
C1_4 P1 C1_3 107.72(14) . . ?
C1_4 P1 C1_2 106.77(14) . . ?
C1_3 P1 C1_2 105.89(14) . . ?
C1_4 P1 Au1 107.17(10) . . ?
C1_3 P1 Au1 114.54(10) . . ?
C1_2 P1 Au1 114.34(10) . . ?
O1 C1 Mn1 174.2(3) . . ?
O2 C2 Mn1 174.8(3) . . ?
C1_5 B1 Cl1 109.7(2) . . ?
C1_5 B1 Mn1 133.9(2) . . ?
Cl1 B1 Mn1 113.72(18) . . ?
C1_5 B1 Au1 107.2(2) . . ?
Cl1 B1 Au1 110.73(17) . . ?
Mn1 B1 Au1 71.26(11) . . ?
C5_1 C1_1 C2_1 108.3(3) . . ?
C5_1 C1_1 Mn1 71.59(18) . . ?
C2_1 C1_1 Mn1 71.16(18) . . ?
C5_1 C1_1 H1_1 125.9 . . ?
C2_1 C1_1 H1_1 125.9 . . ?
Mn1 C1_1 H1_1 123.0 . . ?
C1_1 C2_1 C3_1 107.8(3) . . ?
C1_1 C2_1 Mn1 70.41(18) . . ?
C3_1 C2_1 Mn1 71.14(18) . . ?
C1_1 C2_1 H2_1 126.1 . . ?
C3_1 C2_1 H2_1 126.1 . . ?
Mn1 C2_1 H2_1 124.0 . . ?
C2_1 C3_1 C4_1 107.8(3) . . ?
C2_1 C3_1 Mn1 70.50(18) . . ?
C4_1 C3_1 Mn1 71.25(17) . . ?
C2_1 C3_1 H3_1 126.1 . . ?
C4_1 C3_1 H3_1 126.1 . . ?
Mn1 C3_1 H3_1 123.8 . . ?
C5_1 C4_1 C3_1 107.8(3) . . ?
C5_1 C4_1 Mn1 70.61(18) . . ?
C3_1 C4_1 Mn1 70.32(18) . . ?
C5_1 C4_1 H4_1 126.1 . . ?
C3_1 C4_1 H4_1 126.1 . . ?
Mn1 C4_1 H4_1 124.6 . . ?
C4_1 C5_1 C1_1 108.3(3) . . ?
C4_1 C5_1 Mn1 71.48(18) . . ?
C1_1 C5_1 Mn1 70.11(18) . . ?
C4_1 C5_1 H5_1 125.9 . . ?
C1_1 C5_1 H5_1 125.9 . . ?
Mn1 C5_1 H5_1 124.2 . . ?
C2_2 C1_2 C6_2 110.9(2) . . ?
C2_2 C1_2 P1 111.0(2) . . ?
C6_2 C1_2 P1 115.0(2) . . ?
C2_2 C1_2 H1_2 106.5 . . ?
C6_2 C1_2 H1_2 106.5 . . ?
P1 C1_2 H1_2 106.5 . . ?
C3_2 C2_2 C1_2 112.5(3) . . ?
C3_2 C2_2 H2A_2 109.1 . . ?
C1_2 C2_2 H2A_2 109.1 . . ?
C3_2 C2_2 H2B_2 109.1 . . ?
C1_2 C2_2 H2B_2 109.1 . . ?
H2A_2 C2_2 H2B_2 107.8 . . ?
C4_2 C3_2 C2_2 111.9(3) . . ?
C4_2 C3_2 H3A_2 109.2 . . ?
C2_2 C3_2 H3A_2 109.2 . . ?
C4_2 C3_2 H3B_2 109.2 . . ?
C2_2 C3_2 H3B_2 109.2 . . ?
H3A_2 C3_2 H3B_2 107.9 . . ?
C5_2 C4_2 C3_2 110.5(3) . . ?
C5_2 C4_2 H4A_2 109.5 . . ?
C3_2 C4_2 H4A_2 109.5 . . ?
C5_2 C4_2 H4B_2 109.5 . . ?
C3_2 C4_2 H4B_2 109.5 . . ?
H4A_2 C4_2 H4B_2 108.1 . . ?
C6_2 C5_2 C4_2 111.4(3) . . ?
C6_2 C5_2 H5A_2 109.3 . . ?
C4_2 C5_2 H5A_2 109.3 . . ?
C6_2 C5_2 H5B_2 109.3 . . ?
C4_2 C5_2 H5B_2 109.3 . . ?
H5A_2 C5_2 H5B_2 108.0 . . ?
C5_2 C6_2 C1_2 111.7(2) . . ?
C5_2 C6_2 H6A_2 109.3 . . ?
C1_2 C6_2 H6A_2 109.3 . . ?
C5_2 C6_2 H6B_2 109.3 . . ?
C1_2 C6_2 H6B_2 109.3 . . ?
H6A_2 C6_2 H6B_2 108.0 . . ?
C6_3 C1_3 C2_3 111.0(3) . . ?
C6_3 C1_3 P1 115.1(2) . . ?
C2_3 C1_3 P1 109.5(2) . . ?
C6_3 C1_3 H1_3 106.9 . . ?
C2_3 C1_3 H1_3 106.9 . . ?
P1 C1_3 H1_3 106.9 . . ?
C3_3 C2_3 C1_3 111.3(3) . . ?
C3_3 C2_3 H2A_3 109.4 . . ?
C1_3 C2_3 H2A_3 109.4 . . ?
C3_3 C2_3 H2B_3 109.4 . . ?
C1_3 C2_3 H2B_3 109.4 . . ?
H2A_3 C2_3 H2B_3 108.0 . . ?
C4_3 C3_3 C2_3 111.7(3) . . ?
C4_3 C3_3 H3A_3 109.3 . . ?
C2_3 C3_3 H3A_3 109.3 . . ?
C4_3 C3_3 H3B_3 109.3 . . ?
C2_3 C3_3 H3B_3 109.3 . . ?
H3A_3 C3_3 H3B_3 107.9 . . ?
C5_3 C4_3 C3_3 111.3(3) . . ?
C5_3 C4_3 H4A_3 109.4 . . ?
C3_3 C4_3 H4A_3 109.4 . . ?
C5_3 C4_3 H4B_3 109.4 . . ?
C3_3 C4_3 H4B_3 109.4 . . ?
H4A_3 C4_3 H4B_3 108.0 . . ?
C4_3 C5_3 C6_3 110.9(3) . . ?
C4_3 C5_3 H5A_3 109.5 . . ?
C6_3 C5_3 H5A_3 109.5 . . ?
C4_3 C5_3 H5B_3 109.5 . . ?
C6_3 C5_3 H5B_3 109.5 . . ?
H5A_3 C5_3 H5B_3 108.1 . . ?
C1_3 C6_3 C5_3 111.1(3) . . ?
C1_3 C6_3 H6A_3 109.4 . . ?
C5_3 C6_3 H6A_3 109.4 . . ?
C1_3 C6_3 H6B_3 109.4 . . ?
C5_3 C6_3 H6B_3 109.4 . . ?
H6A_3 C6_3 H6B_3 108.0 . . ?
C2_4 C1_4 C6_4 110.6(3) . . ?
C2_4 C1_4 P1 109.0(2) . . ?
C6_4 C1_4 P1 111.3(2) . . ?
C2_4 C1_4 H1_4 108.6 . . ?
C6_4 C1_4 H1_4 108.6 . . ?
P1 C1_4 H1_4 108.6 . . ?
C3_4 C2_4 C1_4 111.6(3) . . ?
C3_4 C2_4 H2A_4 109.3 . . ?
C1_4 C2_4 H2A_4 109.3 . . ?
C3_4 C2_4 H2B_4 109.3 . . ?
C1_4 C2_4 H2B_4 109.3 . . ?
H2A_4 C2_4 H2B_4 108.0 . . ?
C4_4 C3_4 C2_4 110.8(3) . . ?
C4_4 C3_4 H3A_4 109.5 . . ?
C2_4 C3_4 H3A_4 109.5 . . ?
C4_4 C3_4 H3B_4 109.5 . . ?
C2_4 C3_4 H3B_4 109.5 . . ?
H3A_4 C3_4 H3B_4 108.1 . . ?
C5_4 C4_4 C3_4 110.8(3) . . ?
C5_4 C4_4 H4A_4 109.5 . . ?
C3_4 C4_4 H4A_4 109.5 . . ?
C5_4 C4_4 H4B_4 109.5 . . ?
C3_4 C4_4 H4B_4 109.5 . . ?
H4A_4 C4_4 H4B_4 108.1 . . ?
C4_4 C5_4 C6_4 112.0(3) . . ?
C4_4 C5_4 H5A_4 109.2 . . ?
C6_4 C5_4 H5A_4 109.2 . . ?
C4_4 C5_4 H5B_4 109.2 . . ?
C6_4 C5_4 H5B_4 109.2 . . ?
H5A_4 C5_4 H5B_4 107.9 . . ?
C5_4 C6_4 C1_4 111.1(3) . . ?
C5_4 C6_4 H6A_4 109.4 . . ?
C1_4 C6_4 H6A_4 109.4 . . ?
C5_4 C6_4 H6B_4 109.4 . . ?
C1_4 C6_4 H6B_4 109.4 . . ?
H6A_4 C6_4 H6B_4 108.0 . . ?
C2_5 C1_5 C3_5 106.6(3) . . ?
C2_5 C1_5 C4_5 108.2(3) . . ?
C3_5 C1_5 C4_5 107.7(3) . . ?
C2_5 C1_5 B1 112.2(3) . . ?
C3_5 C1_5 B1 109.2(3) . . ?
C4_5 C1_5 B1 112.6(3) . . ?
C1_5 C2_5 H2A_5 109.5 . . ?
C1_5 C2_5 H2B_5 109.5 . . ?
H2A_5 C2_5 H2B_5 109.5 . . ?
C1_5 C2_5 H2C_5 109.5 . . ?
H2A_5 C2_5 H2C_5 109.5 . . ?
H2B_5 C2_5 H2C_5 109.5 . . ?
C1_5 C3_5 H3A_5 109.5 . . ?
C1_5 C3_5 H3B_5 109.5 . . ?
H3A_5 C3_5 H3B_5 109.5 . . ?
C1_5 C3_5 H3C_5 109.5 . . ?
H3A_5 C3_5 H3C_5 109.5 . . ?
H3B_5 C3_5 H3C_5 109.5 . . ?
C1_5 C4_5 H4A_5 109.5 . . ?
C1_5 C4_5 H4B_5 109.5 . . ?
H4A_5 C4_5 H4B_5 109.5 . . ?
C1_5 C4_5 H4C_5 109.5 . . ?
H4A_5 C4_5 H4C_5 109.5 . . ?
H4B_5 C4_5 H4C_5 109.5 . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
B1 Au1 Mn1 C1 -30.97(16) . . . . ?
P1 Au1 Mn1 C1 137.47(13) . . . . ?
B1 Au1 Mn1 C2 -111.93(16) . . . . ?
P1 Au1 Mn1 C2 56.50(13) . . . . ?
P1 Au1 Mn1 B1 168.44(13) . . . . ?
B1 Au1 Mn1 C1_1 115.64(19) . . . . ?
P1 Au1 Mn1 C1_1 -75.92(17) . . . . ?
B1 Au1 Mn1 C2_1 160.38(16) . . . . ?
P1 Au1 Mn1 C2_1 -31.18(13) . . . . ?
B1 Au1 Mn1 C3_1 146.74(14) . . . . ?
P1 Au1 Mn1 C3_1 -44.83(11) . . . . ?
B1 Au1 Mn1 C5_1 87.08(15) . . . . ?
P1 Au1 Mn1 C5_1 -104.49(11) . . . . ?
B1 Au1 Mn1 C4_1 108.38(14) . . . . ?
P1 Au1 Mn1 C4_1 -83.19(11) . . . . ?
B1 Au1 P1 C1_4 96.0(2) . . . . ?
Mn1 Au1 P1 C1_4 -66.88(12) . . . . ?
B1 Au1 P1 C1_3 -23.4(2) . . . . ?
Mn1 Au1 P1 C1_3 173.69(11) . . . . ?
B1 Au1 P1 C1_2 -145.9(2) . . . . ?
Mn1 Au1 P1 C1_2 51.23(13) . . . . ?
C1 Mn1 B1 C1_5 56.6(3) . . . . ?
C2 Mn1 B1 C1_5 -27.5(3) . . . . ?
C1_1 Mn1 B1 C1_5 126.0(3) . . . . ?
C2_1 Mn1 B1 C1_5 167.1(4) . . . . ?
C3_1 Mn1 B1 C1_5 -144.0(3) . . . . ?
C5_1 Mn1 B1 C1_5 152.3(3) . . . . ?
C4_1 Mn1 B1 C1_5 -169.1(3) . . . . ?
Au1 Mn1 B1 C1_5 -96.2(3) . . . . ?
C1 Mn1 B1 Cl1 -102.2(2) . . . . ?
C2 Mn1 B1 Cl1 173.68(18) . . . . ?
C1_1 Mn1 B1 Cl1 -32.9(3) . . . . ?
C2_1 Mn1 B1 Cl1 8.3(6) . . . . ?
C3_1 Mn1 B1 Cl1 57.2(3) . . . . ?
C5_1 Mn1 B1 Cl1 -6.5(2) . . . . ?
C4_1 Mn1 B1 Cl1 32.0(2) . . . . ?
Au1 Mn1 B1 Cl1 105.02(19) . . . . ?
C1 Mn1 B1 Au1 152.81(14) . . . . ?
C2 Mn1 B1 Au1 68.66(13) . . . . ?
C1_1 Mn1 B1 Au1 -137.88(13) . . . . ?
C2_1 Mn1 B1 Au1 -96.8(5) . . . . ?
C3_1 Mn1 B1 Au1 -47.80(18) . . . . ?
C5_1 Mn1 B1 Au1 -111.53(11) . . . . ?
C4_1 Mn1 B1 Au1 -72.97(11) . . . . ?
P1 Au1 B1 C1_5 -41.3(3) . . . . ?
Mn1 Au1 B1 C1_5 131.4(2) . . . . ?
P1 Au1 B1 Cl1 78.3(2) . . . . ?
Mn1 Au1 B1 Cl1 -109.0(2) . . . . ?
P1 Au1 B1 Mn1 -172.68(8) . . . . ?
C1 Mn1 C1_1 C5_1 107.3(2) . . . . ?
C2 Mn1 C1_1 C5_1 -166.19(19) . . . . ?
B1 Mn1 C1_1 C5_1 44.9(3) . . . . ?
C2_1 Mn1 C1_1 C5_1 -117.6(3) . . . . ?
C3_1 Mn1 C1_1 C5_1 -80.0(2) . . . . ?
C4_1 Mn1 C1_1 C5_1 -37.06(18) . . . . ?
Au1 Mn1 C1_1 C5_1 -45.1(3) . . . . ?
C1 Mn1 C1_1 C2_1 -135.1(2) . . . . ?
C2 Mn1 C1_1 C2_1 -48.6(2) . . . . ?
B1 Mn1 C1_1 C2_1 162.5(2) . . . . ?
C3_1 Mn1 C1_1 C2_1 37.60(19) . . . . ?
C5_1 Mn1 C1_1 C2_1 117.6(3) . . . . ?
C4_1 Mn1 C1_1 C2_1 80.5(2) . . . . ?
Au1 Mn1 C1_1 C2_1 72.5(2) . . . . ?
C5_1 C1_1 C2_1 C3_1 0.7(4) . . . . ?
Mn1 C1_1 C2_1 C3_1 -61.6(2) . . . . ?
C5_1 C1_1 C2_1 Mn1 62.3(2) . . . . ?
C1 Mn1 C2_1 C1_1 50.4(2) . . . . ?
C2 Mn1 C2_1 C1_1 140.5(2) . . . . ?
B1 Mn1 C2_1 C1_1 -53.8(5) . . . . ?
C3_1 Mn1 C2_1 C1_1 -117.7(3) . . . . ?
C5_1 Mn1 C2_1 C1_1 -37.62(19) . . . . ?
C4_1 Mn1 C2_1 C1_1 -79.9(2) . . . . ?
Au1 Mn1 C2_1 C1_1 -140.00(16) . . . . ?
C1 Mn1 C2_1 C3_1 168.13(19) . . . . ?
C2 Mn1 C2_1 C3_1 -101.8(2) . . . . ?
B1 Mn1 C2_1 C3_1 63.9(5) . . . . ?
C1_1 Mn1 C2_1 C3_1 117.7(3) . . . . ?
C5_1 Mn1 C2_1 C3_1 80.1(2) . . . . ?
C4_1 Mn1 C2_1 C3_1 37.77(18) . . . . ?
Au1 Mn1 C2_1 C3_1 -22.3(2) . . . . ?
C1_1 C2_1 C3_1 C4_1 -0.7(4) . . . . ?
Mn1 C2_1 C3_1 C4_1 -61.9(2) . . . . ?
C1_1 C2_1 C3_1 Mn1 61.2(2) . . . . ?
C1 Mn1 C3_1 C2_1 -22.6(4) . . . . ?
C2 Mn1 C3_1 C2_1 83.1(2) . . . . ?
B1 Mn1 C3_1 C2_1 -159.8(2) . . . . ?
C1_1 Mn1 C3_1 C2_1 -37.66(19) . . . . ?
C5_1 Mn1 C3_1 C2_1 -80.4(2) . . . . ?
C4_1 Mn1 C3_1 C2_1 -117.5(3) . . . . ?
Au1 Mn1 C3_1 C2_1 161.33(18) . . . . ?
C1 Mn1 C3_1 C4_1 94.9(3) . . . . ?
C2 Mn1 C3_1 C4_1 -159.3(2) . . . . ?
B1 Mn1 C3_1 C4_1 -42.2(3) . . . . ?
C1_1 Mn1 C3_1 C4_1 79.9(2) . . . . ?
C2_1 Mn1 C3_1 C4_1 117.5(3) . . . . ?
C5_1 Mn1 C3_1 C4_1 37.09(18) . . . . ?
Au1 Mn1 C3_1 C4_1 -81.14(17) . . . . ?
C2_1 C3_1 C4_1 C5_1 0.4(3) . . . . ?
Mn1 C3_1 C4_1 C5_1 -61.0(2) . . . . ?
C2_1 C3_1 C4_1 Mn1 61.4(2) . . . . ?
C1 Mn1 C4_1 C5_1 -18.1(3) . . . . ?
C2 Mn1 C4_1 C5_1 147.8(2) . . . . ?
B1 Mn1 C4_1 C5_1 -92.3(2) . . . . ?
C1_1 Mn1 C4_1 C5_1 37.44(18) . . . . ?
C2_1 Mn1 C4_1 C5_1 80.4(2) . . . . ?
C3_1 Mn1 C4_1 C5_1 118.1(3) . . . . ?
Au1 Mn1 C4_1 C5_1 -147.15(18) . . . . ?
C1 Mn1 C4_1 C3_1 -136.2(2) . . . . ?
C2 Mn1 C4_1 C3_1 29.7(3) . . . . ?
B1 Mn1 C4_1 C3_1 149.63(19) . . . . ?
C1_1 Mn1 C4_1 C3_1 -80.6(2) . . . . ?
C2_1 Mn1 C4_1 C3_1 -37.70(18) . . . . ?
C5_1 Mn1 C4_1 C3_1 -118.1(3) . . . . ?
Au1 Mn1 C4_1 C3_1 94.77(18) . . . . ?
C3_1 C4_1 C5_1 C1_1 0.0(3) . . . . ?
Mn1 C4_1 C5_1 C1_1 -60.8(2) . . . . ?
C3_1 C4_1 C5_1 Mn1 60.8(2) . . . . ?
C2_1 C1_1 C5_1 C4_1 -0.4(4) . . . . ?
Mn1 C1_1 C5_1 C4_1 61.6(2) . . . . ?
C2_1 C1_1 C5_1 Mn1 -62.1(2) . . . . ?
C1 Mn1 C5_1 C4_1 167.2(2) . . . . ?
C2 Mn1 C5_1 C4_1 -85.6(4) . . . . ?
B1 Mn1 C5_1 C4_1 94.9(2) . . . . ?
C1_1 Mn1 C5_1 C4_1 -118.2(3) . . . . ?
C2_1 Mn1 C5_1 C4_1 -80.5(2) . . . . ?
C3_1 Mn1 C5_1 C4_1 -37.60(18) . . . . ?
Au1 Mn1 C5_1 C4_1 35.8(2) . . . . ?
C1 Mn1 C5_1 C1_1 -74.6(2) . . . . ?
C2 Mn1 C5_1 C1_1 32.6(4) . . . . ?
B1 Mn1 C5_1 C1_1 -146.9(2) . . . . ?
C2_1 Mn1 C5_1 C1_1 37.75(18) . . . . ?
C3_1 Mn1 C5_1 C1_1 80.6(2) . . . . ?
C4_1 Mn1 C5_1 C1_1 118.2(3) . . . . ?
Au1 Mn1 C5_1 C1_1 154.03(16) . . . . ?
C1_4 P1 C1_2 C2_2 102.1(2) . . . . ?
C1_3 P1 C1_2 C2_2 -143.3(2) . . . . ?
Au1 P1 C1_2 C2_2 -16.3(2) . . . . ?
C1_4 P1 C1_2 C6_2 -24.8(3) . . . . ?
C1_3 P1 C1_2 C6_2 89.8(2) . . . . ?
Au1 P1 C1_2 C6_2 -143.12(19) . . . . ?
C6_2 C1_2 C2_2 C3_2 -51.7(3) . . . . ?
P1 C1_2 C2_2 C3_2 179.2(2) . . . . ?
C1_2 C2_2 C3_2 C4_2 53.3(3) . . . . ?
C2_2 C3_2 C4_2 C5_2 -55.4(3) . . . . ?
C3_2 C4_2 C5_2 C6_2 57.4(3) . . . . ?
C4_2 C5_2 C6_2 C1_2 -56.9(3) . . . . ?
C2_2 C1_2 C6_2 C5_2 53.4(3) . . . . ?
P1 C1_2 C6_2 C5_2 -179.6(2) . . . . ?
C1_4 P1 C1_3 C6_3 59.3(3) . . . . ?
C1_2 P1 C1_3 C6_3 -54.7(3) . . . . ?
Au1 P1 C1_3 C6_3 178.38(19) . . . . ?
C1_4 P1 C1_3 C2_3 -174.9(2) . . . . ?
C1_2 P1 C1_3 C2_3 71.1(2) . . . . ?
Au1 P1 C1_3 C2_3 -55.8(2) . . . . ?
C6_3 C1_3 C2_3 C3_3 -54.2(3) . . . . ?
P1 C1_3 C2_3 C3_3 177.6(2) . . . . ?
C1_3 C2_3 C3_3 C4_3 54.1(4) . . . . ?
C2_3 C3_3 C4_3 C5_3 -55.5(4) . . . . ?
C3_3 C4_3 C5_3 C6_3 56.5(4) . . . . ?
C2_3 C1_3 C6_3 C5_3 55.5(3) . . . . ?
P1 C1_3 C6_3 C5_3 -179.4(2) . . . . ?
C4_3 C5_3 C6_3 C1_3 -56.9(4) . . . . ?
C1_3 P1 C1_4 C2_4 174.8(2) . . . . ?
C1_2 P1 C1_4 C2_4 -71.9(2) . . . . ?
Au1 P1 C1_4 C2_4 51.0(2) . . . . ?
C1_3 P1 C1_4 C6_4 52.5(2) . . . . ?
C1_2 P1 C1_4 C6_4 165.8(2) . . . . ?
Au1 P1 C1_4 C6_4 -71.2(2) . . . . ?
C6_4 C1_4 C2_4 C3_4 -54.9(3) . . . . ?
P1 C1_4 C2_4 C3_4 -177.6(2) . . . . ?
C1_4 C2_4 C3_4 C4_4 56.2(4) . . . . ?
C2_4 C3_4 C4_4 C5_4 -56.4(4) . . . . ?
C3_4 C4_4 C5_4 C6_4 56.7(4) . . . . ?
C4_4 C5_4 C6_4 C1_4 -55.6(4) . . . . ?
C2_4 C1_4 C6_4 C5_4 54.1(3) . . . . ?
P1 C1_4 C6_4 C5_4 175.4(2) . . . . ?
Cl1 B1 C1_5 C2_5 54.6(3) . . . . ?
Mn1 B1 C1_5 C2_5 -104.9(3) . . . . ?
Au1 B1 C1_5 C2_5 174.9(2) . . . . ?
Cl1 B1 C1_5 C3_5 -63.4(3) . . . . ?
Mn1 B1 C1_5 C3_5 137.1(3) . . . . ?
Au1 B1 C1_5 C3_5 56.8(3) . . . . ?
Cl1 B1 C1_5 C4_5 177.0(2) . . . . ?
Mn1 B1 C1_5 C4_5 17.5(5) . . . . ?
Au1 B1 C1_5 C4_5 -62.7(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.185
_refine_diff_density_min         -1.133
_refine_diff_density_rms         0.119
_database_code_depnum_ccdc_archive 'CCDC 946439'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_4

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
?
;
_chemical_name_common            
;
?
;
_chemical_melting_point          ?
_chemical_formula_moiety         'C28 H30 Au B Cl Mn N2 O2, C6 H6'

_chemical_formula_sum            'C34 H36 Au B Cl Mn N2 O2'
_chemical_formula_weight         802.81

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.3841(3)
_cell_length_b                   12.9033(5)
_cell_length_c                   13.7510(5)
_cell_angle_alpha                73.5910(10)
_cell_angle_beta                 81.1020(10)
_cell_angle_gamma                85.2730(10)
_cell_volume                     1576.69(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    7519
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      26.74

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.39
_exptl_crystal_size_min          0.37
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.691
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             792
_exptl_absorpt_coefficient_mu    5.166
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.1730
_exptl_absorpt_correction_T_max  0.3921
_exptl_absorpt_process_details   'Sadabs 2008/1 (Bruker 2008)'

_exptl_special_details           
; 
 The crystal was immersed in a film of perfluoropolyether oil, mounted
on a polyimide microloop (MicroMounts of MiTeGen) and transferred to
stream of cold nitrogen (Oxford Cryostream 700). 
;
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
2.00 0.00 -1.00 0.1820
0.00 0.00 -1.00 0.1400
0.00 0.00 1.00 0.2240
-1.00 0.00 -1.00 0.0630
1.00 0.00 1.00 0.1710
1.00 1.00 -2.00 0.1630
-1.00 -1.00 2.00 0.2250
2.00 0.00 1.00 0.1870
0.00 1.00 -2.00 0.1190
1.00 -1.00 2.00 0.1920
-1.00 1.00 -2.00 0.1200
2.00 -1.00 1.00 0.2160
1.00 -2.00 2.00 0.2190
0.00 1.00 -1.00 0.1510
1.00 2.00 -2.00 0.1520
1.00 -1.00 0.00 0.2500
-1.00 -2.00 1.00 0.2060
1.00 2.00 -1.00 0.1510
1.00 -2.00 0.00 0.2570
-1.00 1.00 1.00 0.2090
0.00 -2.00 -1.00 0.2370
0.00 2.00 1.00 0.2140
1.00 -2.00 -2.00 0.2640
-1.00 2.00 2.00 0.2130
-1.00 0.00 1.00 0.1600
1.00 2.00 1.00 0.1620
0.00 1.00 1.00 0.1860



_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_measurement_device_type  'Bruker X8-APEX II'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            28097
_diffrn_reflns_av_R_equivalents  0.0402
_diffrn_reflns_av_sigmaI/netI    0.0325
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.56
_diffrn_reflns_theta_max         26.77
_reflns_number_total             6699
_reflns_number_gt                6204
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 ver. 2010.3 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. 7.68A (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 7.68A (Bruker AXS)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'XP ver. 5.1 (Bruker AXS, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_refine_special_details          
; 
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F^2^, conventional R-factors R are based 
 on F, with F set to zero for negative F^2^. The threshold expression of 
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
 The solvent molecule (benzene) was fitted to idealized geometry.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0140P)^2^+1.2173P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6699
_refine_ls_number_parameters     415
_refine_ls_number_restraints     252
_refine_ls_R_factor_all          0.0226
_refine_ls_R_factor_gt           0.0194
_refine_ls_wR_factor_ref         0.0449
_refine_ls_wR_factor_gt          0.0439
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au -0.267665(10) 0.726764(7) 0.279722(7) 0.01436(4) Uani 1 1 d . . .
C2 C -0.2837(3) 1.0163(2) 0.1116(2) 0.0204(6) Uani 1 1 d . . .
O2 O -0.3021(2) 1.10851(14) 0.10382(16) 0.0275(5) Uani 1 1 d . . .
O1 O 0.0100(2) 0.89346(16) 0.21051(16) 0.0263(4) Uani 1 1 d . . .
C1 C -0.0916(3) 0.8855(2) 0.1749(2) 0.0197(6) Uani 1 1 d . . .
Cl1 Cl -0.59011(7) 0.82631(5) 0.20929(6) 0.02503(15) Uani 1 1 d . . .
Mn1 Mn -0.24300(4) 0.88018(3) 0.11330(3) 0.01555(8) Uani 1 1 d . . .
C1_1 C -0.2681(3) 0.5902(2) 0.3984(2) 0.0185(5) Uani 1 1 d . . .
N2_1 N -0.2337(2) 0.58209(17) 0.49255(17) 0.0176(5) Uani 1 1 d . . .
C3_1 C -0.2612(3) 0.4808(2) 0.5589(2) 0.0222(6) Uani 1 1 d . . .
H3_1 H -0.2464 0.4565 0.6287 0.027 Uiso 1 1 calc R . .
C4_1 C -0.3130(3) 0.4240(2) 0.5052(2) 0.0230(6) Uani 1 1 d . . .
H4_1 H -0.3424 0.3514 0.5299 0.028 Uiso 1 1 calc R . .
N5_1 N -0.3156(2) 0.49097(16) 0.40679(17) 0.0175(5) Uani 1 1 d . . .
C1_2 C -0.1738(3) 0.6661(2) 0.5229(2) 0.0167(5) Uani 1 1 d . . .
C2_2 C -0.0506(3) 0.7161(2) 0.4672(2) 0.0239(6) Uani 1 1 d . . .
H2_2 H -0.0069 0.6983 0.4066 0.029 Uiso 1 1 calc R . .
C3_2 C 0.0085(3) 0.7925(2) 0.5010(2) 0.0293(7) Uani 1 1 d . . .
H3_2 H 0.0926 0.8275 0.4625 0.035 Uiso 1 1 calc R . .
C4_2 C -0.0527(3) 0.8188(2) 0.5898(2) 0.0273(7) Uani 1 1 d . . .
C5_2 C -0.1777(3) 0.7684(2) 0.6432(2) 0.0243(6) Uani 1 1 d . . .
H5_2 H -0.2219 0.7862 0.7037 0.029 Uiso 1 1 calc R . .
C6_2 C -0.2392(3) 0.6928(2) 0.6104(2) 0.0216(6) Uani 1 1 d . . .
H6_2 H -0.3253 0.6596 0.6475 0.026 Uiso 1 1 calc R . .
C7_2 C 0.0147(4) 0.8979(3) 0.6298(3) 0.0436(9) Uani 1 1 d . . .
H7A_2 H -0.0587 0.9522 0.6441 0.065 Uiso 1 1 calc R . .
H7B_2 H 0.0927 0.9337 0.5783 0.065 Uiso 1 1 calc R . .
H7C_2 H 0.0538 0.8592 0.6928 0.065 Uiso 1 1 calc R . .
C1_3 C -0.3650(3) 0.4570(2) 0.3274(2) 0.0184(5) Uani 1 1 d . . .
C2_3 C -0.3249(3) 0.3540(2) 0.3179(2) 0.0203(6) Uani 1 1 d . . .
H2_3 H -0.2612 0.3087 0.3607 0.024 Uiso 1 1 calc R . .
C3_3 C -0.3789(3) 0.3177(2) 0.2453(2) 0.0209(6) Uani 1 1 d . . .
H3_3 H -0.3518 0.2470 0.2391 0.025 Uiso 1 1 calc R . .
C4_3 C -0.4718(3) 0.3828(2) 0.1818(2) 0.0199(6) Uani 1 1 d . . .
C5_3 C -0.5082(3) 0.4869(2) 0.1917(2) 0.0186(5) Uani 1 1 d . . .
H5_3 H -0.5698 0.5332 0.1478 0.022 Uiso 1 1 calc R . .
C6_3 C -0.4561(3) 0.5238(2) 0.2642(2) 0.0185(5) Uani 1 1 d . . .
H6_3 H -0.4827 0.5944 0.2705 0.022 Uiso 1 1 calc R . .
C7_3 C -0.5358(3) 0.3419(2) 0.1068(2) 0.0244(6) Uani 1 1 d . . .
H7A_3 H -0.6371 0.3257 0.1328 0.037 Uiso 1 1 calc R . .
H7B_3 H -0.4822 0.2761 0.0977 0.037 Uiso 1 1 calc R . .
H7C_3 H -0.5300 0.3973 0.0408 0.037 Uiso 1 1 calc R . .
B1_4 B -0.4174(3) 0.8724(2) 0.2327(2) 0.0188(6) Uani 1 1 d . . .
C1_4 C -0.4532(3) 0.9284(2) 0.3261(2) 0.0199(6) Uani 1 1 d . . .
C2_4 C -0.3172(3) 0.9649(2) 0.3551(2) 0.0234(6) Uani 1 1 d . . .
H2A_4 H -0.2690 1.0183 0.2960 0.035 Uiso 1 1 calc R . .
H2B_4 H -0.2512 0.9022 0.3758 0.035 Uiso 1 1 calc R . .
H2C_4 H -0.3448 0.9974 0.4121 0.035 Uiso 1 1 calc R . .
C3_4 C -0.5267(3) 0.8484(2) 0.4233(2) 0.0251(6) Uani 1 1 d . . .
H3A_4 H -0.5431 0.8824 0.4797 0.038 Uiso 1 1 calc R . .
H3B_4 H -0.4643 0.7831 0.4416 0.038 Uiso 1 1 calc R . .
H3C_4 H -0.6193 0.8290 0.4102 0.038 Uiso 1 1 calc R . .
C4_4 C -0.5591(3) 1.0275(2) 0.2993(2) 0.0258(6) Uani 1 1 d . . .
H4A_4 H -0.5786 1.0601 0.3566 0.039 Uiso 1 1 calc R . .
H4B_4 H -0.6496 1.0044 0.2864 0.039 Uiso 1 1 calc R . .
H4C_4 H -0.5161 1.0808 0.2379 0.039 Uiso 1 1 calc R . .
C1_5 C -0.3241(3) 0.7675(2) 0.0485(2) 0.0231(6) Uani 1 1 d . . .
H1_5 H -0.3916 0.7145 0.0855 0.028 Uiso 1 1 calc R . .
C2_5 C -0.1726(3) 0.7535(2) 0.0405(2) 0.0240(6) Uani 1 1 d . . .
H2_5 H -0.1203 0.6894 0.0713 0.029 Uiso 1 1 calc R . .
C3_5 C -0.1121(3) 0.8512(2) -0.0211(2) 0.0256(6) Uani 1 1 d . . .
H3_5 H -0.0121 0.8647 -0.0390 0.031 Uiso 1 1 calc R . .
C4_5 C -0.2263(3) 0.9250(2) -0.0512(2) 0.0258(6) Uani 1 1 d . . .
H4_5 H -0.2170 0.9971 -0.0934 0.031 Uiso 1 1 calc R . .
C5_5 C -0.3582(3) 0.8731(2) -0.0076(2) 0.0241(6) Uani 1 1 d . . .
H5_5 H -0.4525 0.9044 -0.0150 0.029 Uiso 1 1 calc R . .
C1_6 C 0.0833(5) 0.4749(2) 0.1412(4) 0.0298(10) Uani 0.670(8) 1 d PGU A 1
H1_6 H 0.0492 0.3935 0.1548 0.036 Uiso 0.670(8) 1 d PG A 1
C2_6 C 0.0616(4) 0.5248(3) 0.2207(3) 0.0304(10) Uani 0.670(8) 1 d PGU A 1
H2_6 H 0.0108 0.4819 0.2957 0.036 Uiso 0.670(8) 1 d PG A 1
C3_6 C 0.1057(5) 0.6304(3) 0.2030(2) 0.0270(9) Uani 0.670(8) 1 d PGU A 1
H3_6 H 0.0889 0.6689 0.2643 0.032 Uiso 0.670(8) 1 d PG A 1
C4_6 C 0.1715(5) 0.6860(2) 0.1057(3) 0.0234(9) Uani 0.670(8) 1 d PGU A 1
H4_6 H 0.2056 0.7674 0.0921 0.028 Uiso 0.670(8) 1 d PG A 1
C5_6 C 0.1932(4) 0.6360(4) 0.02621(19) 0.0220(9) Uani 0.670(8) 1 d PGU A 1
H5_6 H 0.2440 0.6790 -0.0488 0.026 Uiso 0.670(8) 1 d PG A 1
C6_6 C 0.1491(5) 0.5305(4) 0.0439(3) 0.0248(9) Uani 0.670(8) 1 d PGU A 1
H6_6 H 0.1659 0.4920 -0.0174 0.030 Uiso 0.670(8) 1 d PG A 1
C1_16 C 0.1124(9) 0.4953(7) 0.0822(8) 0.0259(13) Uani 0.330(8) 1 d PGU A 2
H1_16 H 0.1068 0.4364 0.0408 0.031 Uiso 0.330(8) 1 d PG A 2
C2_16 C 0.0513(8) 0.4746(5) 0.1850(8) 0.0262(13) Uani 0.330(8) 1 d PGU A 2
H2_16 H -0.0015 0.3997 0.2229 0.031 Uiso 0.330(8) 1 d PG A 2
C3_16 C 0.0586(9) 0.5511(7) 0.2387(4) 0.0247(13) Uani 0.330(8) 1 d PGU A 2
H3_16 H 0.0114 0.5351 0.3180 0.030 Uiso 0.330(8) 1 d PG A 2
C4_16 C 0.1271(11) 0.6482(6) 0.1896(6) 0.0263(12) Uani 0.330(8) 1 d PGU A 2
H4_16 H 0.1327 0.7071 0.2310 0.032 Uiso 0.330(8) 1 d PG A 2
C5_16 C 0.1882(10) 0.6689(6) 0.0868(6) 0.0258(12) Uani 0.330(8) 1 d PGU A 2
H5_16 H 0.2410 0.7438 0.0489 0.031 Uiso 0.330(8) 1 d PG A 2
C6_16 C 0.1809(9) 0.5925(9) 0.0331(4) 0.0266(13) Uani 0.330(8) 1 d PGU A 2
H6_16 H 0.2280 0.6085 -0.0462 0.032 Uiso 0.330(8) 1 d PG A 2

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Au1 0.01734(6) 0.01051(5) 0.01534(6) -0.00238(4) -0.00489(4) -0.00038(4)
C2 0.0171(13) 0.0229(14) 0.0191(14) -0.0001(12) -0.0052(11) -0.0037(11)
O2 0.0342(12) 0.0126(9) 0.0337(12) -0.0025(9) -0.0060(10) -0.0013(8)
O1 0.0193(10) 0.0283(11) 0.0319(12) -0.0053(9) -0.0087(9) -0.0046(8)
C1 0.0211(14) 0.0135(12) 0.0221(14) -0.0022(11) 0.0013(11) -0.0035(10)
Cl1 0.0175(3) 0.0234(3) 0.0375(4) -0.0107(3) -0.0090(3) -0.0018(3)
Mn1 0.0176(2) 0.01203(18) 0.0167(2) -0.00156(16) -0.00570(16) -0.00084(15)
C1_1 0.0156(13) 0.0194(13) 0.0214(14) -0.0081(12) -0.0017(11) 0.0007(10)
N2_1 0.0212(12) 0.0134(10) 0.0185(12) -0.0039(9) -0.0045(9) -0.0003(9)
C3_1 0.0306(15) 0.0141(13) 0.0200(14) 0.0004(12) -0.0074(12) -0.0002(11)
C4_1 0.0344(16) 0.0139(13) 0.0182(14) 0.0015(12) -0.0077(12) -0.0004(11)
N5_1 0.0236(12) 0.0119(10) 0.0173(11) -0.0035(9) -0.0055(9) 0.0005(9)
C1_2 0.0190(13) 0.0142(12) 0.0184(13) -0.0033(11) -0.0105(11) 0.0023(10)
C2_2 0.0209(14) 0.0280(15) 0.0252(15) -0.0113(13) -0.0038(12) -0.0001(12)
C3_2 0.0202(15) 0.0303(16) 0.0386(18) -0.0093(15) -0.0062(13) -0.0042(12)
C4_2 0.0290(16) 0.0218(14) 0.0356(17) -0.0095(14) -0.0165(14) 0.0015(12)
C5_2 0.0341(16) 0.0198(14) 0.0215(15) -0.0076(12) -0.0095(13) 0.0024(12)
C6_2 0.0253(15) 0.0176(13) 0.0208(14) -0.0038(12) -0.0033(12) -0.0001(11)
C7_2 0.048(2) 0.0382(19) 0.056(2) -0.0211(18) -0.0228(19) -0.0084(16)
C1_3 0.0219(14) 0.0155(12) 0.0186(14) -0.0053(11) -0.0031(11) -0.0018(10)
C2_3 0.0255(14) 0.0154(13) 0.0189(14) -0.0021(11) -0.0066(12) 0.0036(11)
C3_3 0.0275(15) 0.0134(12) 0.0220(14) -0.0060(12) -0.0029(12) 0.0004(11)
C4_3 0.0238(14) 0.0175(13) 0.0178(14) -0.0042(11) -0.0009(11) -0.0038(11)
C5_3 0.0218(14) 0.0169(13) 0.0168(13) -0.0033(11) -0.0044(11) -0.0015(10)
C6_3 0.0217(14) 0.0131(12) 0.0205(14) -0.0047(11) -0.0015(11) -0.0027(10)
C7_3 0.0302(16) 0.0206(14) 0.0251(15) -0.0089(13) -0.0066(13) -0.0014(12)
B1_4 0.0169(15) 0.0121(13) 0.0270(17) -0.0017(13) -0.0080(13) -0.0013(11)
C1_4 0.0191(13) 0.0163(13) 0.0247(15) -0.0064(12) -0.0030(11) -0.0005(10)
C2_4 0.0274(15) 0.0205(14) 0.0259(15) -0.0107(13) -0.0054(12) -0.0025(11)
C3_4 0.0268(15) 0.0195(14) 0.0283(16) -0.0081(13) 0.0009(13) 0.0006(11)
C4_4 0.0269(15) 0.0170(13) 0.0328(17) -0.0072(13) -0.0029(13) 0.0020(11)
C1_5 0.0293(15) 0.0225(14) 0.0206(14) -0.0077(12) -0.0076(12) -0.0037(12)
C2_5 0.0339(16) 0.0219(14) 0.0181(14) -0.0085(12) -0.0080(12) 0.0068(12)
C3_5 0.0271(15) 0.0290(15) 0.0205(15) -0.0076(13) -0.0006(12) -0.0022(12)
C4_5 0.0357(17) 0.0234(15) 0.0167(14) -0.0008(12) -0.0070(13) -0.0021(12)
C5_5 0.0281(15) 0.0245(15) 0.0218(15) -0.0056(13) -0.0127(12) 0.0017(12)
C1_6 0.0263(18) 0.0298(17) 0.030(2) -0.0019(15) -0.0061(17) -0.0003(15)
C2_6 0.0255(16) 0.0334(18) 0.0280(17) -0.0021(15) -0.0065(15) 0.0059(16)
C3_6 0.0255(17) 0.0296(17) 0.0240(16) -0.0047(14) -0.0074(14) 0.0086(15)
C4_6 0.0230(17) 0.0284(16) 0.0215(17) -0.0115(13) -0.0078(15) 0.0083(14)
C5_6 0.0222(16) 0.0213(18) 0.0258(16) -0.0105(15) -0.0078(14) 0.0027(15)
C6_6 0.0247(18) 0.0229(18) 0.0277(18) -0.0068(16) -0.0068(15) -0.0008(15)
C1_16 0.025(2) 0.029(2) 0.025(2) -0.009(2) -0.005(2) 0.001(2)
C2_16 0.025(2) 0.028(2) 0.026(2) -0.007(2) -0.006(2) 0.005(2)
C3_16 0.024(2) 0.027(2) 0.026(2) -0.0104(18) -0.008(2) 0.004(2)
C4_16 0.023(2) 0.029(2) 0.0260(19) -0.0056(18) -0.0061(19) 0.0046(18)
C5_16 0.023(2) 0.028(2) 0.026(2) -0.0071(18) -0.0051(19) 0.0049(19)
C6_16 0.024(2) 0.030(2) 0.026(2) -0.0074(19) -0.0045(19) 0.001(2)

_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_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C1_1 2.035(3) . ?
Au1 B1_4 2.255(3) . ?
Au1 Mn1 2.5616(4) . ?
Au1 C1 2.675(3) . ?
C2 O2 1.165(3) . ?
C2 Mn1 1.760(3) . ?
O1 C1 1.161(3) . ?
C1 Mn1 1.778(3) . ?
Cl1 B1_4 1.875(3) . ?
Mn1 B1_4 2.119(3) . ?
Mn1 C5_5 2.144(3) . ?
Mn1 C1_5 2.148(3) . ?
Mn1 C4_5 2.155(3) . ?
Mn1 C2_5 2.157(3) . ?
Mn1 C3_5 2.163(3) . ?
C1_1 N2_1 1.356(3) . ?
C1_1 N5_1 1.359(3) . ?
N2_1 C3_1 1.384(3) . ?
C3_1 C4_1 1.340(4) . ?
C3_1 H3_1 0.9500 . ?
C4_1 N5_1 1.387(3) . ?
C4_1 H4_1 0.9500 . ?
C1_2 C2_2 1.381(4) . ?
C1_2 C6_2 1.383(4) . ?
C2_2 C3_2 1.387(4) . ?
C2_2 H2_2 0.9500 . ?
C3_2 C4_2 1.387(4) . ?
C3_2 H3_2 0.9500 . ?
C4_2 C5_2 1.388(4) . ?
C4_2 C7_2 1.507(4) . ?
C5_2 C6_2 1.382(4) . ?
C5_2 H5_2 0.9500 . ?
C6_2 H6_2 0.9500 . ?
C7_2 H7A_2 0.9800 . ?
C7_2 H7B_2 0.9800 . ?
C7_2 H7C_2 0.9800 . ?
C1_3 C6_3 1.382(4) . ?
C1_3 C2_3 1.387(3) . ?
C2_3 C3_3 1.391(4) . ?
C2_3 H2_3 0.9500 . ?
C3_3 C4_3 1.389(4) . ?
C3_3 H3_3 0.9500 . ?
C4_3 C5_3 1.398(4) . ?
C4_3 C7_3 1.501(4) . ?
C5_3 C6_3 1.385(4) . ?
C5_3 H5_3 0.9500 . ?
C6_3 H6_3 0.9500 . ?
C7_3 H7A_3 0.9800 . ?
C7_3 H7B_3 0.9800 . ?
C7_3 H7C_3 0.9800 . ?
B1_4 C1_4 1.622(4) . ?
C1_4 C2_4 1.541(4) . ?
C1_4 C3_4 1.543(4) . ?
C1_4 C4_4 1.548(4) . ?
C2_4 H2A_4 0.9800 . ?
C2_4 H2B_4 0.9800 . ?
C2_4 H2C_4 0.9800 . ?
C3_4 H3A_4 0.9800 . ?
C3_4 H3B_4 0.9800 . ?
C3_4 H3C_4 0.9800 . ?
C4_4 H4A_4 0.9800 . ?
C4_4 H4B_4 0.9800 . ?
C4_4 H4C_4 0.9800 . ?
C1_5 C5_5 1.401(4) . ?
C1_5 C2_5 1.410(4) . ?
C1_5 H1_5 0.9500 . ?
C2_5 C3_5 1.414(4) . ?
C2_5 H2_5 0.9500 . ?
C3_5 C4_5 1.404(4) . ?
C3_5 H3_5 0.9500 . ?
C4_5 C5_5 1.422(4) . ?
C4_5 H4_5 0.9500 . ?
C5_5 H5_5 0.9500 . ?
C1_6 C2_6 1.4000 . ?
C1_6 C6_6 1.4000 . ?
C1_6 H1_6 1.0800 . ?
C2_6 C3_6 1.4000 . ?
C2_6 H2_6 1.0800 . ?
C3_6 C4_6 1.4000 . ?
C3_6 H3_6 1.0800 . ?
C4_6 C5_6 1.4000 . ?
C4_6 H4_6 1.0800 . ?
C5_6 C6_6 1.4000 . ?
C5_6 H5_6 1.0800 . ?
C6_6 H6_6 1.0800 . ?
C1_16 C6_16 1.4000 . ?
C1_16 C2_16 1.4000 . ?
C1_16 H1_16 1.0800 . ?
C2_16 C3_16 1.4000 . ?
C2_16 H2_16 1.0800 . ?
C3_16 C4_16 1.4000 . ?
C3_16 H3_16 1.0800 . ?
C4_16 C5_16 1.4000 . ?
C4_16 H4_16 1.0800 . ?
C5_16 C6_16 1.4000 . ?
C5_16 H5_16 1.0800 . ?
C6_16 H6_16 1.0800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1_1 Au1 Mn1 170.80(7) . . ?
B1_4 Au1 Mn1 51.71(8) . . ?
C1_1 Au1 C1 139.34(10) . . ?
B1_4 Au1 C1 75.71(10) . . ?
Mn1 Au1 C1 39.62(6) . . ?
O2 C2 Mn1 174.6(3) . . ?
O1 C1 Mn1 176.3(2) . . ?
O1 C1 Au1 117.0(2) . . ?
Mn1 C1 Au1 66.75(8) . . ?
C2 Mn1 C1 87.69(12) . . ?
C2 Mn1 B1_4 76.01(12) . . ?
C1 Mn1 B1_4 102.36(12) . . ?
C2 Mn1 C5_5 98.91(12) . . ?
C1 Mn1 C5_5 157.72(12) . . ?
C2 Mn1 C1_5 135.21(12) . . ?
C1 Mn1 C1_5 136.53(11) . . ?
C5_5 Mn1 C1_5 38.11(10) . . ?
C2 Mn1 C4_5 89.71(12) . . ?
C1 Mn1 C4_5 120.89(12) . . ?
C5_5 Mn1 C4_5 38.62(11) . . ?
C1_5 Mn1 C4_5 63.99(11) . . ?
C2 Mn1 C2_5 152.95(12) . . ?
C1 Mn1 C2_5 101.33(11) . . ?
C5_5 Mn1 C2_5 63.96(11) . . ?
C1_5 Mn1 C2_5 38.22(11) . . ?
C4_5 Mn1 C2_5 63.71(11) . . ?
C2 Mn1 C3_5 116.55(12) . . ?
C1 Mn1 C3_5 93.79(12) . . ?
C5_5 Mn1 C3_5 64.18(11) . . ?
C1_5 Mn1 C3_5 64.04(11) . . ?
C4_5 Mn1 C3_5 37.94(11) . . ?
C2_5 Mn1 C3_5 38.20(11) . . ?
C2 Mn1 Au1 122.14(9) . . ?
C1 Mn1 Au1 73.63(8) . . ?
B1_4 Mn1 Au1 56.65(8) . . ?
C5_5 Mn1 Au1 118.81(8) . . ?
C1_5 Mn1 Au1 84.91(8) . . ?
C4_5 Mn1 Au1 146.80(8) . . ?
C2_5 Mn1 Au1 84.91(8) . . ?
C3_5 Mn1 Au1 118.88(8) . . ?
N2_1 C1_1 N5_1 104.0(2) . . ?
N2_1 C1_1 Au1 126.39(18) . . ?
N5_1 C1_1 Au1 129.29(19) . . ?
C1_1 N2_1 C3_1 111.6(2) . . ?
C4_1 C3_1 N2_1 106.4(2) . . ?
C4_1 C3_1 H3_1 126.8 . . ?
N2_1 C3_1 H3_1 126.8 . . ?
C3_1 C4_1 N5_1 107.1(2) . . ?
C3_1 C4_1 H4_1 126.4 . . ?
N5_1 C4_1 H4_1 126.4 . . ?
C1_1 N5_1 C4_1 110.9(2) . . ?
C2_2 C1_2 C6_2 120.8(2) . . ?
C1_2 C2_2 C3_2 119.1(3) . . ?
C1_2 C2_2 H2_2 120.4 . . ?
C3_2 C2_2 H2_2 120.4 . . ?
C4_2 C3_2 C2_2 121.4(3) . . ?
C4_2 C3_2 H3_2 119.3 . . ?
C2_2 C3_2 H3_2 119.3 . . ?
C3_2 C4_2 C5_2 118.1(3) . . ?
C3_2 C4_2 C7_2 121.7(3) . . ?
C5_2 C4_2 C7_2 120.2(3) . . ?
C6_2 C5_2 C4_2 121.5(3) . . ?
C6_2 C5_2 H5_2 119.2 . . ?
C4_2 C5_2 H5_2 119.2 . . ?
C5_2 C6_2 C1_2 119.1(3) . . ?
C5_2 C6_2 H6_2 120.4 . . ?
C1_2 C6_2 H6_2 120.4 . . ?
C4_2 C7_2 H7A_2 109.5 . . ?
C4_2 C7_2 H7B_2 109.5 . . ?
H7A_2 C7_2 H7B_2 109.5 . . ?
C4_2 C7_2 H7C_2 109.5 . . ?
H7A_2 C7_2 H7C_2 109.5 . . ?
H7B_2 C7_2 H7C_2 109.5 . . ?
C6_3 C1_3 C2_3 120.4(2) . . ?
C1_3 C2_3 C3_3 119.4(2) . . ?
C1_3 C2_3 H2_3 120.3 . . ?
C3_3 C2_3 H2_3 120.3 . . ?
C4_3 C3_3 C2_3 121.2(2) . . ?
C4_3 C3_3 H3_3 119.4 . . ?
C2_3 C3_3 H3_3 119.4 . . ?
C3_3 C4_3 C5_3 118.1(2) . . ?
C3_3 C4_3 C7_3 121.3(2) . . ?
C5_3 C4_3 C7_3 120.5(2) . . ?
C6_3 C5_3 C4_3 121.2(2) . . ?
C6_3 C5_3 H5_3 119.4 . . ?
C4_3 C5_3 H5_3 119.4 . . ?
C1_3 C6_3 C5_3 119.6(2) . . ?
C1_3 C6_3 H6_3 120.2 . . ?
C5_3 C6_3 H6_3 120.2 . . ?
C4_3 C7_3 H7A_3 109.5 . . ?
C4_3 C7_3 H7B_3 109.5 . . ?
H7A_3 C7_3 H7B_3 109.5 . . ?
C4_3 C7_3 H7C_3 109.5 . . ?
H7A_3 C7_3 H7C_3 109.5 . . ?
H7B_3 C7_3 H7C_3 109.5 . . ?
C1_4 B1_4 Cl1 108.51(19) . . ?
C1_4 B1_4 Mn1 133.81(19) . . ?
Cl1 B1_4 Mn1 115.00(16) . . ?
C1_4 B1_4 Au1 108.66(18) . . ?
Cl1 B1_4 Au1 108.68(13) . . ?
Mn1 B1_4 Au1 71.64(9) . . ?
C2_4 C1_4 C3_4 106.7(2) . . ?
C2_4 C1_4 C4_4 108.5(2) . . ?
C3_4 C1_4 C4_4 106.8(2) . . ?
C2_4 C1_4 B1_4 112.9(2) . . ?
C3_4 C1_4 B1_4 110.6(2) . . ?
C4_4 C1_4 B1_4 111.0(2) . . ?
C1_4 C2_4 H2A_4 109.5 . . ?
C1_4 C2_4 H2B_4 109.5 . . ?
H2A_4 C2_4 H2B_4 109.5 . . ?
C1_4 C2_4 H2C_4 109.5 . . ?
H2A_4 C2_4 H2C_4 109.5 . . ?
H2B_4 C2_4 H2C_4 109.5 . . ?
C1_4 C3_4 H3A_4 109.5 . . ?
C1_4 C3_4 H3B_4 109.5 . . ?
H3A_4 C3_4 H3B_4 109.5 . . ?
C1_4 C3_4 H3C_4 109.5 . . ?
H3A_4 C3_4 H3C_4 109.5 . . ?
H3B_4 C3_4 H3C_4 109.5 . . ?
C1_4 C4_4 H4A_4 109.5 . . ?
C1_4 C4_4 H4B_4 109.5 . . ?
H4A_4 C4_4 H4B_4 109.5 . . ?
C1_4 C4_4 H4C_4 109.5 . . ?
H4A_4 C4_4 H4C_4 109.5 . . ?
H4B_4 C4_4 H4C_4 109.5 . . ?
C5_5 C1_5 C2_5 108.3(3) . . ?
C5_5 C1_5 Mn1 70.80(15) . . ?
C2_5 C1_5 Mn1 71.25(15) . . ?
C5_5 C1_5 H1_5 125.9 . . ?
C2_5 C1_5 H1_5 125.9 . . ?
Mn1 C1_5 H1_5 123.7 . . ?
C1_5 C2_5 C3_5 108.1(3) . . ?
C1_5 C2_5 Mn1 70.53(15) . . ?
C3_5 C2_5 Mn1 71.12(16) . . ?
C1_5 C2_5 H2_5 125.9 . . ?
C3_5 C2_5 H2_5 125.9 . . ?
Mn1 C2_5 H2_5 124.0 . . ?
C4_5 C3_5 C2_5 107.7(3) . . ?
C4_5 C3_5 Mn1 70.71(17) . . ?
C2_5 C3_5 Mn1 70.68(16) . . ?
C4_5 C3_5 H3_5 126.1 . . ?
C2_5 C3_5 H3_5 126.1 . . ?
Mn1 C3_5 H3_5 124.1 . . ?
C3_5 C4_5 C5_5 108.2(3) . . ?
C3_5 C4_5 Mn1 71.35(16) . . ?
C5_5 C4_5 Mn1 70.29(16) . . ?
C3_5 C4_5 H4_5 125.9 . . ?
C5_5 C4_5 H4_5 125.9 . . ?
Mn1 C4_5 H4_5 124.1 . . ?
C1_5 C5_5 C4_5 107.7(3) . . ?
C1_5 C5_5 Mn1 71.09(15) . . ?
C4_5 C5_5 Mn1 71.09(16) . . ?
C1_5 C5_5 H5_5 126.1 . . ?
C4_5 C5_5 H5_5 126.1 . . ?
Mn1 C5_5 H5_5 123.3 . . ?
C2_6 C1_6 C6_6 120.0 . . ?
C1_6 C2_6 C3_6 120.0 . . ?
C4_6 C3_6 C2_6 120.0 . . ?
C5_6 C4_6 C3_6 120.0 . . ?
C4_6 C5_6 C6_6 120.0 . . ?
C5_6 C6_6 C1_6 120.0 . . ?
C6_16 C1_16 C2_16 120.0 . . ?
C6_16 C1_16 H1_16 120.0 . . ?
C2_16 C1_16 H1_16 120.0 . . ?
C3_16 C2_16 C1_16 120.0 . . ?
C3_16 C2_16 H2_16 120.0 . . ?
C1_16 C2_16 H2_16 120.0 . . ?
C2_16 C3_16 C4_16 120.0 . . ?
C2_16 C3_16 H3_16 120.0 . . ?
C4_16 C3_16 H3_16 120.0 . . ?
C5_16 C4_16 C3_16 120.0 . . ?
C5_16 C4_16 H4_16 120.0 . . ?
C3_16 C4_16 H4_16 120.0 . . ?
C6_16 C5_16 C4_16 120.0 . . ?
C6_16 C5_16 H5_16 120.0 . . ?
C4_16 C5_16 H5_16 120.0 . . ?
C1_16 C6_16 C5_16 120.0 . . ?
C1_16 C6_16 H6_16 120.0 . . ?
C5_16 C6_16 H6_16 120.0 . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1_1 Au1 C1 O1 -13.9(3) . . . . ?
B1_4 Au1 C1 O1 134.3(2) . . . . ?
Mn1 Au1 C1 O1 -179.7(3) . . . . ?
C1_1 Au1 C1 Mn1 165.80(11) . . . . ?
B1_4 Au1 C1 Mn1 -45.97(10) . . . . ?
Au1 C1 Mn1 C2 124.53(9) . . . . ?
Au1 C1 Mn1 B1_4 49.39(9) . . . . ?
Au1 C1 Mn1 C5_5 -127.4(3) . . . . ?
Au1 C1 Mn1 C1_5 -63.61(16) . . . . ?
Au1 C1 Mn1 C4_5 -147.20(10) . . . . ?
Au1 C1 Mn1 C2_5 -81.19(9) . . . . ?
Au1 C1 Mn1 C3_5 -119.01(8) . . . . ?
B1_4 Au1 Mn1 C2 40.96(14) . . . . ?
C1 Au1 Mn1 C2 -76.45(13) . . . . ?
B1_4 Au1 Mn1 C1 117.42(13) . . . . ?
C1 Au1 Mn1 B1_4 -117.42(13) . . . . ?
C1 Au1 Mn1 C5_5 159.89(13) . . . . ?
C1 Au1 Mn1 C1_5 141.78(12) . . . . ?
C1 Au1 Mn1 C4_5 121.89(18) . . . . ?
C1 Au1 Mn1 C2_5 103.40(12) . . . . ?
C1 Au1 Mn1 C3_5 85.22(13) . . . . ?
C1 Au1 C1_1 N2_1 51.8(3) . . . . ?
C1 Au1 C1_1 N5_1 -135.7(2) . . . . ?
N5_1 C1_1 N2_1 C3_1 -1.1(3) . . . . ?
Au1 C1_1 N2_1 C3_1 172.99(19) . . . . ?
C1_1 N2_1 C3_1 C4_1 0.5(3) . . . . ?
N2_1 C3_1 C4_1 N5_1 0.3(3) . . . . ?
N2_1 C1_1 N5_1 C4_1 1.3(3) . . . . ?
Au1 C1_1 N5_1 C4_1 -172.5(2) . . . . ?
C3_1 C4_1 N5_1 C1_1 -1.0(3) . . . . ?
C6_2 C1_2 C2_2 C3_2 1.0(4) . . . . ?
C1_2 C2_2 C3_2 C4_2 0.7(4) . . . . ?
C2_2 C3_2 C4_2 C5_2 -1.6(4) . . . . ?
C2_2 C3_2 C4_2 C7_2 177.1(3) . . . . ?
C3_2 C4_2 C5_2 C6_2 0.9(4) . . . . ?
C7_2 C4_2 C5_2 C6_2 -177.8(3) . . . . ?
C4_2 C5_2 C6_2 C1_2 0.7(4) . . . . ?
C2_2 C1_2 C6_2 C5_2 -1.6(4) . . . . ?
C6_3 C1_3 C2_3 C3_3 -1.0(4) . . . . ?
C1_3 C2_3 C3_3 C4_3 0.3(4) . . . . ?
C2_3 C3_3 C4_3 C5_3 0.9(4) . . . . ?
C2_3 C3_3 C4_3 C7_3 -177.1(3) . . . . ?
C3_3 C4_3 C5_3 C6_3 -1.4(4) . . . . ?
C7_3 C4_3 C5_3 C6_3 176.6(3) . . . . ?
C2_3 C1_3 C6_3 C5_3 0.5(4) . . . . ?
C4_3 C5_3 C6_3 C1_3 0.7(4) . . . . ?
C2 Mn1 B1_4 C1_4 -46.6(3) . . . . ?
C1 Mn1 B1_4 C1_4 37.9(3) . . . . ?
Au1 Mn1 B1_4 C1_4 98.5(3) . . . . ?
C2 Mn1 B1_4 Cl1 112.33(17) . . . . ?
C1 Mn1 B1_4 Cl1 -163.25(15) . . . . ?
Au1 Mn1 B1_4 Cl1 -102.57(15) . . . . ?
C2 Mn1 B1_4 Au1 -145.11(11) . . . . ?
C1 Mn1 B1_4 Au1 -60.68(10) . . . . ?
Mn1 Au1 B1_4 C1_4 -131.1(2) . . . . ?
C1 Au1 B1_4 C1_4 -95.39(18) . . . . ?
Mn1 Au1 B1_4 Cl1 110.96(17) . . . . ?
C1 Au1 B1_4 Cl1 146.71(17) . . . . ?
C1 Au1 B1_4 Mn1 35.74(8) . . . . ?
Cl1 B1_4 C1_4 C2_4 177.40(19) . . . . ?
Mn1 B1_4 C1_4 C2_4 -22.7(4) . . . . ?
Au1 B1_4 C1_4 C2_4 59.4(2) . . . . ?
Cl1 B1_4 C1_4 C3_4 57.9(3) . . . . ?
Mn1 B1_4 C1_4 C3_4 -142.2(2) . . . . ?
Au1 B1_4 C1_4 C3_4 -60.1(2) . . . . ?
Cl1 B1_4 C1_4 C4_4 -60.5(3) . . . . ?
Mn1 B1_4 C1_4 C4_4 99.4(3) . . . . ?
Au1 B1_4 C1_4 C4_4 -178.51(18) . . . . ?
C2 Mn1 C1_5 C5_5 21.9(3) . . . . ?
C1 Mn1 C1_5 C5_5 -146.55(19) . . . . ?
C4_5 Mn1 C1_5 C5_5 -38.15(17) . . . . ?
C2_5 Mn1 C1_5 C5_5 -118.0(2) . . . . ?
C3_5 Mn1 C1_5 C5_5 -80.55(18) . . . . ?
Au1 Mn1 C1_5 C5_5 153.81(17) . . . . ?
C2 Mn1 C1_5 C2_5 139.82(19) . . . . ?
C1 Mn1 C1_5 C2_5 -28.6(2) . . . . ?
C5_5 Mn1 C1_5 C2_5 118.0(2) . . . . ?
C4_5 Mn1 C1_5 C2_5 79.81(18) . . . . ?
C3_5 Mn1 C1_5 C2_5 37.40(16) . . . . ?
Au1 Mn1 C1_5 C2_5 -88.23(16) . . . . ?
C5_5 C1_5 C2_5 C3_5 -0.1(3) . . . . ?
Mn1 C1_5 C2_5 C3_5 -61.53(19) . . . . ?
C5_5 C1_5 C2_5 Mn1 61.46(19) . . . . ?
C2 Mn1 C2_5 C1_5 -92.1(3) . . . . ?
C1 Mn1 C2_5 C1_5 160.38(17) . . . . ?
C5_5 Mn1 C2_5 C1_5 -37.36(16) . . . . ?
C4_5 Mn1 C2_5 C1_5 -80.60(18) . . . . ?
C3_5 Mn1 C2_5 C1_5 -118.0(2) . . . . ?
Au1 Mn1 C2_5 C1_5 88.23(16) . . . . ?
C2 Mn1 C2_5 C3_5 25.9(3) . . . . ?
C1 Mn1 C2_5 C3_5 -81.63(18) . . . . ?
C5_5 Mn1 C2_5 C3_5 80.63(18) . . . . ?
C1_5 Mn1 C2_5 C3_5 118.0(2) . . . . ?
C4_5 Mn1 C2_5 C3_5 37.38(17) . . . . ?
Au1 Mn1 C2_5 C3_5 -153.79(16) . . . . ?
C1_5 C2_5 C3_5 C4_5 -0.2(3) . . . . ?
Mn1 C2_5 C3_5 C4_5 -61.3(2) . . . . ?
C1_5 C2_5 C3_5 Mn1 61.16(19) . . . . ?
C2 Mn1 C3_5 C4_5 -49.4(2) . . . . ?
C1 Mn1 C3_5 C4_5 -138.75(18) . . . . ?
C5_5 Mn1 C3_5 C4_5 37.72(17) . . . . ?
C1_5 Mn1 C3_5 C4_5 80.28(18) . . . . ?
C2_5 Mn1 C3_5 C4_5 117.7(2) . . . . ?
Au1 Mn1 C3_5 C4_5 147.87(14) . . . . ?
C2 Mn1 C3_5 C2_5 -167.15(17) . . . . ?
C1 Mn1 C3_5 C2_5 103.54(18) . . . . ?
C5_5 Mn1 C3_5 C2_5 -79.99(18) . . . . ?
C1_5 Mn1 C3_5 C2_5 -37.43(16) . . . . ?
C4_5 Mn1 C3_5 C2_5 -117.7(2) . . . . ?
Au1 Mn1 C3_5 C2_5 30.16(19) . . . . ?
C2_5 C3_5 C4_5 C5_5 0.4(3) . . . . ?
Mn1 C3_5 C4_5 C5_5 -61.0(2) . . . . ?
C2_5 C3_5 C4_5 Mn1 61.31(19) . . . . ?
C2 Mn1 C4_5 C3_5 137.18(18) . . . . ?
C1 Mn1 C4_5 C3_5 50.1(2) . . . . ?
C5_5 Mn1 C4_5 C3_5 -118.1(2) . . . . ?
C1_5 Mn1 C4_5 C3_5 -80.42(18) . . . . ?
C2_5 Mn1 C4_5 C3_5 -37.64(17) . . . . ?
Au1 Mn1 C4_5 C3_5 -58.3(2) . . . . ?
C2 Mn1 C4_5 C5_5 -104.74(18) . . . . ?
C1 Mn1 C4_5 C5_5 168.13(16) . . . . ?
C1_5 Mn1 C4_5 C5_5 37.65(16) . . . . ?
C2_5 Mn1 C4_5 C5_5 80.44(18) . . . . ?
C3_5 Mn1 C4_5 C5_5 118.1(2) . . . . ?
Au1 Mn1 C4_5 C5_5 59.8(2) . . . . ?
C2_5 C1_5 C5_5 C4_5 0.3(3) . . . . ?
Mn1 C1_5 C5_5 C4_5 62.03(19) . . . . ?
C2_5 C1_5 C5_5 Mn1 -61.74(19) . . . . ?
C3_5 C4_5 C5_5 C1_5 -0.4(3) . . . . ?
Mn1 C4_5 C5_5 C1_5 -62.03(19) . . . . ?
C3_5 C4_5 C5_5 Mn1 61.6(2) . . . . ?
C2 Mn1 C5_5 C1_5 -164.60(18) . . . . ?
C1 Mn1 C5_5 C1_5 89.5(3) . . . . ?
C4_5 Mn1 C5_5 C1_5 117.2(2) . . . . ?
C2_5 Mn1 C5_5 C1_5 37.47(17) . . . . ?
C3_5 Mn1 C5_5 C1_5 80.14(18) . . . . ?
Au1 Mn1 C5_5 C1_5 -30.11(19) . . . . ?
C2 Mn1 C5_5 C4_5 78.20(18) . . . . ?
C1 Mn1 C5_5 C4_5 -27.8(4) . . . . ?
C1_5 Mn1 C5_5 C4_5 -117.2(2) . . . . ?
C2_5 Mn1 C5_5 C4_5 -79.74(18) . . . . ?
C3_5 Mn1 C5_5 C4_5 -37.06(17) . . . . ?
Au1 Mn1 C5_5 C4_5 -147.32(14) . . . . ?
C6_6 C1_6 C2_6 C3_6 0.0 . . . . ?
C1_6 C2_6 C3_6 C4_6 0.0 . . . . ?
C2_6 C3_6 C4_6 C5_6 0.0 . . . . ?
C3_6 C4_6 C5_6 C6_6 0.0 . . . . ?
C4_6 C5_6 C6_6 C1_6 0.0 . . . . ?
C2_6 C1_6 C6_6 C5_6 0.0 . . . . ?
C6_16 C1_16 C2_16 C3_16 0.0 . . . . ?
C1_16 C2_16 C3_16 C4_16 0.0 . . . . ?
C2_16 C3_16 C4_16 C5_16 0.0 . . . . ?
C3_16 C4_16 C5_16 C6_16 0.0 . . . . ?
C2_16 C1_16 C6_16 C5_16 0.0 . . . . ?
C4_16 C5_16 C6_16 C1_16 0.0 . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.974
_refine_diff_density_min         -0.421
_refine_diff_density_rms         0.088
_database_code_depnum_ccdc_archive 'CCDC 946440'