# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_xy06
_database_code_depnum_ccdc_archive 'CCDC 1037245'

_audit_update_record             
;
2014-12-02 deposited with the CCDC.
2015-05-19 downloaded from the CCDC.
;


_vrf_PLAT771_I                   
;
PROBLEM: Suspect N-H Bond in CIF: N2 -- H43A .. 2.13 Ang.
RESPONSE: Due to the partial acidity of the chloroform protons, the 
short distances are a sign of  positive interactions with the N2 and 
N3 of the ring.
;


_audit_creation_method           SHELXL-97
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C82 H64 N6 P4 Au4, 4(C1 H1 Cl3)'
_chemical_formula_sum            'C86 H68 Au4 Cl12 N6 P4'
_chemical_formula_weight         2522.61

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'
N N 0.0061 0.0033 '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'
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

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

_cell_length_a                   12.4497(8)
_cell_length_b                   12.8216(8)
_cell_length_c                   15.5296(10)
_cell_angle_alpha                91.385(1)
_cell_angle_beta                 106.155(1)
_cell_angle_gamma                112.428(1)
_cell_volume                     2177.1(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9687
_cell_measurement_theta_min      2.0
_cell_measurement_theta_max      28.0


_exptl_crystal_description       plates
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.924
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1206
_exptl_absorpt_coefficient_mu    7.208
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.3398
_exptl_absorpt_correction_T_max  0.6595
_exptl_absorpt_process_details   
'based on measured indexed crystal faces, Bruker SHELXTL  v6.14 (Bruker 2008)'


_exptl_special_details           ?

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  'Bruker Triumph'
_diffrn_measurement_device_type  'Bruker APEX-II DUO'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            54170
_diffrn_reflns_av_R_equivalents  0.0498
_diffrn_reflns_av_sigmaI/netI    0.0252
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.38
_diffrn_reflns_theta_max         27.50
_reflns_number_total             10005
_reflns_number_gt                9177
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Bruker APEX2 (Bruker, 2008)'
_computing_cell_refinement       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT (Bruker, 2008)'
_computing_structure_solution    'Bruker SHELXTL (Bruker, 2008)'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'


_refine_special_details          
; 
 All H atoms were positioned geometrically ( C---H = 0.93/1.00 Å) and allowed 
 to ride with Uiso(H)= 1.2/1.5Ueq(C). 
 Methyl ones were allowed to rotate around the corresponding C---C. 

 The asymmetric unit consists of a half Au4 complex and two chloroform solvent
 molecules.
  
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0309P)²+13.1838P] where P=(Fo²+2Fc²)/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         10005
_refine_ls_number_parameters     499
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0285
_refine_ls_wR_factor_ref         0.0745
_refine_ls_wR_factor_gt          0.0728
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.004
_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 0.874802(14) 0.210389(13) 0.793448(11) 0.01509(5) Uani 1 1 d . . .
Au2 Au 1.087363(13) 0.322598(12) 1.012463(10) 0.01146(5) Uani 1 1 d . . .
P1 P 0.68407(10) 0.08194(9) 0.77155(8) 0.0163(2) Uani 1 1 d . . .
P2 P 1.01026(10) 0.29751(9) 1.13128(7) 0.0128(2) Uani 1 1 d . . .
N1 N 1.0541(3) 0.3133(3) 0.8170(2) 0.0129(7) Uani 1 1 d . . .
N2 N 1.1072(3) 0.3407(3) 0.7506(2) 0.0151(7) Uani 1 1 d . . .
N3 N 1.2272(3) 0.3897(3) 0.7889(2) 0.0143(7) Uani 1 1 d . . .
C1 C 1.1405(4) 0.3454(3) 0.9000(3) 0.0133(8) Uani 1 1 d . . .
C2 C 1.2518(4) 0.3937(3) 0.8808(3) 0.0117(7) Uani 1 1 d . . .
C3 C 1.3777(4) 0.4454(3) 0.9418(3) 0.0126(7) Uani 1 1 d . . .
C4 C 1.4044(4) 0.4583(3) 1.0363(3) 0.0142(8) Uani 1 1 d . . .
H4A H 1.3397 0.4297 1.0620 0.017 Uiso 1 1 calc R . .
C5 C 1.4755(2) 0.4877(2) 0.90702(17) 0.0145(8) Uani 1 1 d . . .
H5A H 1.4599 0.4794 0.8432 0.017 Uiso 1 1 calc R . .
C6 C 1.0986(2) 0.4051(2) 1.23082(17) 0.0152(8) Uani 1 1 d R . .
C7 C 1.0532(2) 0.4786(2) 1.26154(17) 0.0194(9) Uani 1 1 d R . .
H7A H 0.9743 0.4746 1.2295 0.023 Uiso 1 1 d R . .
C8 C 1.1254(5) 0.5578(4) 1.3398(3) 0.0233(10) Uani 1 1 d . . .
H8A H 1.0955 0.6082 1.3607 0.028 Uiso 1 1 calc R . .
C9 C 1.2387(5) 0.5635(4) 1.3866(3) 0.0262(10) Uani 1 1 d . . .
H9A H 1.2861 0.6166 1.4404 0.031 Uiso 1 1 calc R . .
C10 C 1.2850(5) 0.4923(4) 1.3558(3) 0.0262(10) Uani 1 1 d . . .
H10A H 1.3641 0.4971 1.3881 0.031 Uiso 1 1 calc R . .
C11 C 1.2153(4) 0.4140(4) 1.2778(3) 0.0223(9) Uani 1 1 d . . .
H11A H 1.2474 0.3661 1.2562 0.027 Uiso 1 1 calc R . .
C12 C 0.9934(4) 0.1640(4) 1.1752(3) 0.0154(8) Uani 1 1 d . . .
C13 C 0.9917(4) 0.1508(4) 1.2640(3) 0.0179(8) Uani 1 1 d . . .
H13A H 1.0052 0.2144 1.3046 0.022 Uiso 1 1 calc R . .
C14 C 0.9704(4) 0.0457(4) 1.2931(3) 0.0216(9) Uani 1 1 d . . .
H14A H 0.9674 0.0369 1.3531 0.026 Uiso 1 1 calc R . .
C15 C 0.9532(4) -0.0473(4) 1.2344(3) 0.0199(9) Uani 1 1 d . . .
H15A H 0.9377 -0.1196 1.2544 0.024 Uiso 1 1 calc R . .
C16 C 0.9586(4) -0.0352(4) 1.1473(3) 0.0179(8) Uani 1 1 d . . .
H16A H 0.9493 -0.0981 1.1080 0.021 Uiso 1 1 calc R . .
C17 C 0.9782(4) 0.0713(4) 1.1177(3) 0.0174(8) Uani 1 1 d . . .
H17A H 0.9809 0.0799 1.0577 0.021 Uiso 1 1 calc R . .
C18 C 0.8585(4) 0.2974(3) 1.0960(3) 0.0157(8) Uani 1 1 d . . .
C19 C 0.8251(4) 0.3437(4) 1.0172(3) 0.0179(8) Uani 1 1 d . . .
H19A H 0.8808 0.3736 0.9839 0.022 Uiso 1 1 calc R . .
C20 C 0.7097(4) 0.3455(4) 0.9881(3) 0.0237(10) Uani 1 1 d . . .
H20A H 0.6868 0.3775 0.9351 0.028 Uiso 1 1 calc R . .
C21 C 0.6278(4) 0.3008(4) 1.0361(4) 0.0251(10) Uani 1 1 d . . .
H21A H 0.5487 0.3015 1.0153 0.030 Uiso 1 1 calc R . .
C22 C 0.6603(4) 0.2554(4) 1.1137(4) 0.0278(11) Uani 1 1 d . . .
H22A H 0.6038 0.2252 1.1464 0.033 Uiso 1 1 calc R . .
C23 C 0.7765(4) 0.2537(4) 1.1446(4) 0.0228(9) Uani 1 1 d . . .
H23A H 0.7992 0.2229 1.1984 0.027 Uiso 1 1 calc R . .
C24 C 0.6778(4) -0.0012(4) 0.8653(3) 0.0169(8) Uani 1 1 d . . .
C25 C 0.7111(4) -0.0936(4) 0.8674(3) 0.0233(9) Uani 1 1 d . . .
H25A H 0.7336 -0.1155 0.8185 0.028 Uiso 1 1 calc R . .
C26 C 0.7115(4) -0.1533(4) 0.9401(4) 0.0261(10) Uani 1 1 d . . .
H26A H 0.7345 -0.2159 0.9409 0.031 Uiso 1 1 calc R . .
C27 C 0.6786(4) -0.1230(4) 1.0117(4) 0.0255(10) Uani 1 1 d . . .
H27A H 0.6771 -0.1656 1.0608 0.031 Uiso 1 1 calc R . .
C28 C 0.6476(4) -0.0292(4) 1.0112(3) 0.0245(10) Uani 1 1 d . . .
H28A H 0.6262 -0.0071 1.0606 0.029 Uiso 1 1 calc R . .
C29 C 0.6481(4) 0.0318(4) 0.9386(3) 0.0198(9) Uani 1 1 d . . .
H29A H 0.6281 0.0963 0.9389 0.024 Uiso 1 1 calc R . .
C30 C 0.5688(4) 0.1380(4) 0.7619(3) 0.0181(8) Uani 1 1 d . . .
C31 C 0.5954(4) 0.2505(4) 0.7474(3) 0.0201(9) Uani 1 1 d . . .
H31A H 0.6737 0.2969 0.7432 0.024 Uiso 1 1 calc R . .
C32 C 0.5078(5) 0.2952(5) 0.7391(3) 0.0265(10) Uani 1 1 d . . .
H32A H 0.5266 0.3722 0.7295 0.032 Uiso 1 1 calc R . .
C33 C 0.3932(5) 0.2275(5) 0.7448(4) 0.0293(11) Uani 1 1 d . . .
H33A H 0.3333 0.2580 0.7390 0.035 Uiso 1 1 calc R . .
C34 C 0.3665(5) 0.1158(5) 0.7588(4) 0.0323(12) Uani 1 1 d . . .
H34A H 0.2879 0.0695 0.7625 0.039 Uiso 1 1 calc R . .
C35 C 0.4526(4) 0.0703(5) 0.7675(4) 0.0272(10) Uani 1 1 d . . .
H35A H 0.4332 -0.0067 0.7773 0.033 Uiso 1 1 calc R . .
C36 C 0.6306(4) -0.0218(4) 0.6696(3) 0.0208(9) Uani 1 1 d . . .
C37 C 0.7140(5) -0.0599(5) 0.6521(4) 0.0333(12) Uani 1 1 d . . .
H37A H 0.7958 -0.0309 0.6916 0.040 Uiso 1 1 calc R . .
C38 C 0.6775(6) -0.1411(5) 0.5762(5) 0.0438(16) Uani 1 1 d . . .
H38A H 0.7340 -0.1684 0.5649 0.053 Uiso 1 1 calc R . .
C39 C 0.5597(6) -0.1813(5) 0.5180(4) 0.0402(14) Uani 1 1 d . . .
H39A H 0.5352 -0.2360 0.4662 0.048 Uiso 1 1 calc R . .
C40 C 0.4768(6) -0.1422(4) 0.5348(4) 0.0341(12) Uani 1 1 d . . .
H40A H 0.3957 -0.1696 0.4944 0.041 Uiso 1 1 calc R . .
C41 C 0.5126(5) -0.0627(4) 0.6109(3) 0.0261(10) Uani 1 1 d . . .
H41A H 0.4556 -0.0363 0.6225 0.031 Uiso 1 1 calc R . .
Cl1 Cl 1.24792(13) 0.62584(13) 0.62601(9) 0.0348(3) Uani 1 1 d . . .
Cl2 Cl 1.36211(15) 0.47504(14) 0.59475(11) 0.0435(3) Uani 1 1 d . . .
Cl3 Cl 1.49953(12) 0.67689(12) 0.72852(10) 0.0388(3) Uani 1 1 d . . .
C42 C 1.3538(4) 0.5680(4) 0.6761(3) 0.0268(10) Uani 1 1 d . . .
H42A H 1.3259 0.5233 0.7235 0.032 Uiso 1 1 calc R . .
Cl4 Cl 1.10542(13) 0.16963(12) 0.54245(9) 0.0330(3) Uani 1 1 d . . .
Cl5 Cl 0.85861(16) 0.14094(17) 0.52340(16) 0.0614(5) Uani 1 1 d . . .
Cl6 Cl 1.01944(13) 0.33995(11) 0.46934(9) 0.0326(3) Uani 1 1 d . . .
C43 C 1.0100(5) 0.2411(4) 0.5459(3) 0.0249(10) Uani 1 1 d . . .
H43A H 1.0378 0.2833 0.6084 0.030 Uiso 1 1 calc R . .


_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 N1 2.033(4) . ?
Au1 P1 2.2374(11) . ?
Au2 C1 2.023(4) . ?
Au2 P2 2.2822(10) . ?
P1 C30 1.809(5) . ?
P1 C24 1.826(5) . ?
P1 C36 1.832(5) . ?
P2 C18 1.814(4) . ?
P2 C6 1.815(3) . ?
P2 C12 1.817(4) . ?
N1 N2 1.357(5) . ?
N1 C1 1.362(5) . ?
N2 N3 1.323(5) . ?
N2 H43A 2.1308 . ?
N3 C2 1.368(5) . ?
N3 H42A 2.1573 . ?
C1 C2 1.407(6) . ?
C2 C3 1.464(6) . ?
C3 C5 1.395(5) . ?
C3 C4 1.402(6) . ?
C4 C5 1.392(5) 2_867 ?
C4 H4A 0.9500 . ?
C5 C4 1.392(5) 2_867 ?
C5 H5A 0.9500 . ?
C6 C11 1.392(5) . ?
C6 C7 1.4037 . ?
C7 C8 1.397(5) . ?
C7 H7A 0.9500 . ?
C8 C9 1.368(8) . ?
C8 H8A 0.9500 . ?
C9 C10 1.389(7) . ?
C9 H9A 0.9500 . ?
C10 C11 1.385(7) . ?
C10 H10A 0.9500 . ?
C11 H11A 0.9500 . ?
C12 C17 1.388(6) . ?
C12 C13 1.399(6) . ?
C13 C14 1.383(6) . ?
C13 H13A 0.9500 . ?
C14 C15 1.394(7) . ?
C14 H14A 0.9500 . ?
C15 C16 1.382(7) . ?
C15 H15A 0.9500 . ?
C16 C17 1.404(6) . ?
C16 H16A 0.9500 . ?
C17 H17A 0.9500 . ?
C18 C23 1.392(6) . ?
C18 C19 1.402(6) . ?
C19 C20 1.391(6) . ?
C19 H19A 0.9500 . ?
C20 C21 1.386(7) . ?
C20 H20A 0.9500 . ?
C21 C22 1.378(8) . ?
C21 H21A 0.9500 . ?
C22 C23 1.401(7) . ?
C22 H22A 0.9500 . ?
C23 H23A 0.9500 . ?
C24 C29 1.394(6) . ?
C24 C25 1.395(6) . ?
C25 C26 1.379(7) . ?
C25 H25A 0.9500 . ?
C26 C27 1.381(8) . ?
C26 H26A 0.9500 . ?
C27 C28 1.396(7) . ?
C27 H27A 0.9500 . ?
C28 C29 1.387(7) . ?
C28 H28A 0.9500 . ?
C29 H29A 0.9500 . ?
C30 C31 1.391(6) . ?
C30 C35 1.402(7) . ?
C31 C32 1.392(7) . ?
C31 H31A 0.9500 . ?
C32 C33 1.388(8) . ?
C32 H32A 0.9500 . ?
C33 C34 1.379(8) . ?
C33 H33A 0.9500 . ?
C34 C35 1.381(7) . ?
C34 H34A 0.9500 . ?
C35 H35A 0.9500 . ?
C36 C41 1.382(7) . ?
C36 C37 1.388(7) . ?
C37 C38 1.401(7) . ?
C37 H37A 0.9500 . ?
C38 C39 1.378(9) . ?
C38 H38A 0.9500 . ?
C39 C40 1.388(9) . ?
C39 H39A 0.9500 . ?
C40 C41 1.391(7) . ?
C40 H40A 0.9500 . ?
C41 H41A 0.9500 . ?
Cl1 C42 1.760(5) . ?
Cl2 C42 1.766(6) . ?
Cl3 C42 1.759(5) . ?
C42 H42A 1.0000 . ?
Cl4 C43 1.766(5) . ?
Cl5 C43 1.757(5) . ?
Cl6 C43 1.753(5) . ?
C43 H43A 1.0000 . ?

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
N1 Au1 P1 173.81(10) . . ?
C1 Au2 P2 174.50(12) . . ?
C30 P1 C24 105.5(2) . . ?
C30 P1 C36 106.6(2) . . ?
C24 P1 C36 105.7(2) . . ?
C30 P1 Au1 116.27(15) . . ?
C24 P1 Au1 110.55(14) . . ?
C36 P1 Au1 111.51(15) . . ?
C18 P2 C6 106.44(16) . . ?
C18 P2 C12 105.9(2) . . ?
C6 P2 C12 103.83(17) . . ?
C18 P2 Au2 109.63(15) . . ?
C6 P2 Au2 115.63(9) . . ?
C12 P2 Au2 114.62(14) . . ?
N2 N1 C1 110.6(3) . . ?
N2 N1 Au1 123.8(3) . . ?
C1 N1 Au1 124.5(3) . . ?
N3 N2 N1 108.4(3) . . ?
N3 N2 H43A 118.3 . . ?
N1 N2 H43A 131.2 . . ?
N2 N3 C2 108.3(3) . . ?
N2 N3 H42A 115.9 . . ?
C2 N3 H42A 124.4 . . ?
N1 C1 C2 104.0(3) . . ?
N1 C1 Au2 119.4(3) . . ?
C2 C1 Au2 136.5(3) . . ?
N3 C2 C1 108.6(4) . . ?
N3 C2 C3 121.0(4) . . ?
C1 C2 C3 130.4(4) . . ?
C5 C3 C4 117.7(4) . . ?
C5 C3 C2 120.4(3) . . ?
C4 C3 C2 121.9(4) . . ?
C5 C4 C3 120.9(4) 2_867 . ?
C5 C4 H4A 119.6 2_867 . ?
C3 C4 H4A 119.6 . . ?
C4 C5 C3 121.5(3) 2_867 . ?
C4 C5 H5A 119.3 2_867 . ?
C3 C5 H5A 119.3 . . ?
C11 C6 C7 119.4(2) . . ?
C11 C6 P2 118.2(3) . . ?
C7 C6 P2 122.38(9) . . ?
C8 C7 C6 119.2(2) . . ?
C8 C7 H7A 120.4 . . ?
C6 C7 H7A 120.4 . . ?
C9 C8 C7 120.7(4) . . ?
C9 C8 H8A 119.6 . . ?
C7 C8 H8A 119.6 . . ?
C8 C9 C10 120.4(4) . . ?
C8 C9 H9A 119.8 . . ?
C10 C9 H9A 119.8 . . ?
C11 C10 C9 119.8(5) . . ?
C11 C10 H10A 120.1 . . ?
C9 C10 H10A 120.1 . . ?
C10 C11 C6 120.5(4) . . ?
C10 C11 H11A 119.8 . . ?
C6 C11 H11A 119.8 . . ?
C17 C12 C13 119.1(4) . . ?
C17 C12 P2 118.8(3) . . ?
C13 C12 P2 122.1(3) . . ?
C14 C13 C12 120.5(4) . . ?
C14 C13 H13A 119.8 . . ?
C12 C13 H13A 119.8 . . ?
C13 C14 C15 120.0(4) . . ?
C13 C14 H14A 120.0 . . ?
C15 C14 H14A 120.0 . . ?
C16 C15 C14 120.5(4) . . ?
C16 C15 H15A 119.8 . . ?
C14 C15 H15A 119.8 . . ?
C15 C16 C17 119.2(4) . . ?
C15 C16 H16A 120.4 . . ?
C17 C16 H16A 120.4 . . ?
C12 C17 C16 120.8(4) . . ?
C12 C17 H17A 119.6 . . ?
C16 C17 H17A 119.6 . . ?
C23 C18 C19 120.1(4) . . ?
C23 C18 P2 122.2(4) . . ?
C19 C18 P2 117.7(3) . . ?
C20 C19 C18 119.5(4) . . ?
C20 C19 H19A 120.3 . . ?
C18 C19 H19A 120.3 . . ?
C21 C20 C19 120.3(5) . . ?
C21 C20 H20A 119.8 . . ?
C19 C20 H20A 119.8 . . ?
C22 C21 C20 120.4(4) . . ?
C22 C21 H21A 119.8 . . ?
C20 C21 H21A 119.8 . . ?
C21 C22 C23 120.2(5) . . ?
C21 C22 H22A 119.9 . . ?
C23 C22 H22A 119.9 . . ?
C18 C23 C22 119.6(5) . . ?
C18 C23 H23A 120.2 . . ?
C22 C23 H23A 120.2 . . ?
C29 C24 C25 119.1(4) . . ?
C29 C24 P1 120.4(3) . . ?
C25 C24 P1 120.3(4) . . ?
C26 C25 C24 120.3(5) . . ?
C26 C25 H25A 119.8 . . ?
C24 C25 H25A 119.8 . . ?
C25 C26 C27 120.7(4) . . ?
C25 C26 H26A 119.6 . . ?
C27 C26 H26A 119.6 . . ?
C26 C27 C28 119.5(5) . . ?
C26 C27 H27A 120.3 . . ?
C28 C27 H27A 120.3 . . ?
C29 C28 C27 120.1(5) . . ?
C29 C28 H28A 120.0 . . ?
C27 C28 H28A 120.0 . . ?
C28 C29 C24 120.2(4) . . ?
C28 C29 H29A 119.9 . . ?
C24 C29 H29A 119.9 . . ?
C31 C30 C35 119.2(4) . . ?
C31 C30 P1 119.1(3) . . ?
C35 C30 P1 121.7(4) . . ?
C30 C31 C32 120.2(4) . . ?
C30 C31 H31A 119.9 . . ?
C32 C31 H31A 119.9 . . ?
C33 C32 C31 120.2(5) . . ?
C33 C32 H32A 119.9 . . ?
C31 C32 H32A 119.9 . . ?
C34 C33 C32 119.7(5) . . ?
C34 C33 H33A 120.2 . . ?
C32 C33 H33A 120.2 . . ?
C33 C34 C35 120.8(5) . . ?
C33 C34 H34A 119.6 . . ?
C35 C34 H34A 119.6 . . ?
C34 C35 C30 120.0(5) . . ?
C34 C35 H35A 120.0 . . ?
C30 C35 H35A 120.0 . . ?
C41 C36 C37 119.7(5) . . ?
C41 C36 P1 122.9(4) . . ?
C37 C36 P1 117.4(4) . . ?
C36 C37 C38 119.9(5) . . ?
C36 C37 H37A 120.1 . . ?
C38 C37 H37A 120.1 . . ?
C39 C38 C37 120.0(6) . . ?
C39 C38 H38A 120.0 . . ?
C37 C38 H38A 120.0 . . ?
C38 C39 C40 120.1(5) . . ?
C38 C39 H39A 120.0 . . ?
C40 C39 H39A 120.0 . . ?
C39 C40 C41 119.9(5) . . ?
C39 C40 H40A 120.0 . . ?
C41 C40 H40A 120.0 . . ?
C36 C41 C40 120.4(5) . . ?
C36 C41 H41A 119.8 . . ?
C40 C41 H41A 119.8 . . ?
Cl3 C42 Cl1 110.7(3) . . ?
Cl3 C42 Cl2 109.9(3) . . ?
Cl1 C42 Cl2 110.8(3) . . ?
Cl3 C42 H42A 108.4 . . ?
Cl1 C42 H42A 108.4 . . ?
Cl2 C42 H42A 108.4 . . ?
Cl6 C43 Cl5 111.0(3) . . ?
Cl6 C43 Cl4 111.2(3) . . ?
Cl5 C43 Cl4 109.6(3) . . ?
Cl6 C43 H43A 108.3 . . ?
Cl5 C43 H43A 108.3 . . ?
Cl4 C43 H43A 108.3 . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         5.863
_refine_diff_density_min         -2.366
_refine_diff_density_rms         0.162
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_xy09
_database_code_depnum_ccdc_archive 'CCDC 1037246'
# end Validation Reply Form



_audit_update_record             
;
2014-12-02 deposited with the CCDC.
2015-05-19 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT201_xy09                
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) ....... 2 Report
RESPONSE: All disordered atoms were refined isotropically.
;
# publcif _publ_body_element loop end

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H54 Au4 N6 P4'
_chemical_formula_weight         1626.71

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'
N N 0.0061 0.0033 '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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

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

_cell_length_a                   17.4114(12)
_cell_length_b                   16.8969(12)
_cell_length_c                   16.7970(12)
_cell_angle_alpha                90
_cell_angle_beta                 99.4513(14)
_cell_angle_gamma                90
_cell_volume                     4874.6(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9750
_cell_measurement_theta_min      2.0
_cell_measurement_theta_max      28.0

_exptl_crystal_description       plates
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.217
_exptl_crystal_F_000             3040
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.162
_exptl_crystal_size_mid          0.156
_exptl_crystal_size_min          0.113
_exptl_absorpt_coefficient_mu    12.173
_shelx_estimated_absorpt_T_min   0.243
_shelx_estimated_absorpt_T_max   0.340
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.2277
_exptl_absorpt_correction_T_max  0.4423
_exptl_absorpt_process_details   
'based on measured indexed crystal faces, Bruker SHELXTL  v6.14 (Bruker 2008)'

_exptl_special_details           ?

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II DUO'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            71946
_diffrn_reflns_av_unetI/netI     0.0172
_diffrn_reflns_av_R_equivalents  0.0260
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.186
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             11179
_reflns_number_gt                9946
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2 (Bruker, 2008)'
_computing_cell_refinement       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT (Bruker, 2008)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'SHELXL-2013 (Sheldrick, 2013)'
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'

_refine_special_details          
; 
All H atoms were positioned geometrically ( C---H = 0.93/1.00 Å) and 
allowed to ride with Uiso(H)= 1.2/1.5Ueq(C). 
Methyl ones were allowed to rotate around the corresponding C---C. 

There are two disordered phenyl rings in the complex and each was refined in
 three parts.  They are those on atoms C1 and P4.  All disordered parts were
 constrained to maintain ideal hexagons using commands ?AFIX 66?. The pivot
 atoms of each group of disordered parts had their displacement parameters
 restrained to remain equivalent throughout the refinement.  
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0239P)²+83.9997P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11179
_refine_ls_number_parameters     523
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0405
_refine_ls_R_factor_gt           0.0339
_refine_ls_wR_factor_ref         0.0918
_refine_ls_wR_factor_gt          0.0860
_refine_ls_goodness_of_fit_ref   1.163
_refine_ls_restrained_S_all      1.163
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.15945(2) 0.61000(2) 0.74191(2) 0.02230(7) Uani 1 1 d . . . . .
Au2 Au 0.31423(2) 0.69297(2) 0.74023(2) 0.01924(7) Uani 1 1 d . . . . .
Au3 Au 0.36549(2) 0.56404(2) 0.86826(2) 0.02295(7) Uani 1 1 d . . . . .
Au4 Au 0.26309(2) 0.46545(2) 0.73249(2) 0.02414(7) Uani 1 1 d . . . . .
P1 P 0.11461(13) 0.63376(14) 0.60794(12) 0.0280(4) Uani 1 1 d . . . . .
P2 P 0.31992(11) 0.79048(12) 0.83257(11) 0.0217(4) Uani 1 1 d . . . . .
P3 P 0.48645(12) 0.53863(13) 0.84600(13) 0.0272(4) Uani 1 1 d . . . . .
P4 P 0.20433(14) 0.37672(14) 0.80579(14) 0.0318(5) Uani 1 1 d . . . . .
N1 N 0.2603(4) 0.5824(4) 0.9049(4) 0.0255(14) Uani 1 1 d . . . . .
N2 N 0.2598(4) 0.5788(5) 0.9857(4) 0.0299(15) Uani 1 1 d . . . . .
N3 N 0.1872(4) 0.5881(5) 0.9976(4) 0.0304(15) Uani 1 1 d . . . . .
N4 N 0.3234(4) 0.6088(4) 0.6537(4) 0.0219(13) Uani 1 1 d . . . . .
N5 N 0.3562(4) 0.6327(4) 0.5886(4) 0.0257(14) Uani 1 1 d . . . . .
N6 N 0.3710(4) 0.5685(4) 0.5476(4) 0.0207(12) Uani 1 1 d . . . . .
C1 C 0.1872(5) 0.5945(5) 0.8633(5) 0.0254(16) Uiso 1 1 d . . . . .
C2 C 0.1429(5) 0.6003(5) 0.9254(5) 0.0252(16) Uiso 1 1 d . . . . .
C3 C 0.0577(6) 0.6165(9) 0.9187(9) 0.026(2) Uiso 0.44(2) 1 d G . P A 1
C4 C 0.0171(9) 0.5795(10) 0.973(1) 0.045(6) Uiso 0.44(2) 1 d G . P A 1
H4A H 0.0444 0.5488 1.0159 0.054 Uiso 0.44(2) 1 calc R U P A 1
C5 C -0.0633(9) 0.5876(11) 0.9646(12) 0.065(8) Uiso 0.44(2) 1 d G . P A 1
H5A H -0.0910 0.5624 1.0017 0.078 Uiso 0.44(2) 1 calc R U P A 1
C6 C -0.1031(6) 0.6326(11) 0.9018(11) 0.034(6) Uiso 0.44(2) 1 d G . P A 1
H6A H -0.1580 0.6381 0.8960 0.041 Uiso 0.44(2) 1 calc R U P A 1
C7 C -0.0626(7) 0.6696(11) 0.8474(8) 0.037(5) Uiso 0.44(2) 1 d G . P A 1
H7A H -0.0898 0.7003 0.8045 0.044 Uiso 0.44(2) 1 calc R U P A 1
C8 C 0.0178(7) 0.6615(10) 0.8559(8) 0.023(4) Uiso 0.44(2) 1 d G . P A 1
H8A H 0.0455 0.6867 0.8188 0.028 Uiso 0.44(2) 1 calc R U P A 1
C3' C 0.0558(10) 0.6006(15) 0.9157(13) 0.026(2) Uiso 0.293(15) 1 d G . P A 2
C4' C 0.0249(12) 0.6327(14) 0.9798(12) 0.033(7) Uiso 0.293(15) 1 d G . P A 2
H4'A H 0.0586 0.6514 1.0262 0.039 Uiso 0.293(15) 1 calc R U P A 2
C5' C -0.0553(13) 0.6374(16) 0.9759(14) 0.039(8) Uiso 0.293(15) 1 d G . P A 2
H5'A H -0.0765 0.6593 1.0197 0.046 Uiso 0.293(15) 1 calc R U P A 2
C6' C -0.1046(9) 0.6100(18) 0.9079(16) 0.069(17) Uiso 0.293(15) 1 d G . P A 2
H6'A H -0.1595 0.6132 0.9053 0.083 Uiso 0.293(15) 1 calc R U P A 2
C7' C -0.0737(12) 0.5779(18) 0.8439(13) 0.051(10) Uiso 0.293(15) 1 d G . P A 2
H7'A H -0.1074 0.5592 0.7974 0.061 Uiso 0.293(15) 1 calc R U P A 2
C8' C 0.0065(13) 0.5732(16) 0.8478(11) 0.047(9) Uiso 0.293(15) 1 d G . P A 2
H8'A H 0.0277 0.5513 0.8040 0.057 Uiso 0.293(15) 1 calc R U P A 2
C3" C 0.0564(9) 0.6126(15) 0.9242(13) 0.026(2) Uiso 0.27(2) 1 d G . P A 3
C4" C 0.0274(12) 0.6049(16) 0.9962(11) 0.025(7) Uiso 0.27(2) 1 d G . P A 3
H4"A H 0.0620 0.5951 1.0451 0.029 Uiso 0.27(2) 1 calc R U P A 3
C5" C -0.0521(13) 0.6115(18) 0.9965(12) 0.045(10) Uiso 0.27(2) 1 d G . P A 3
H5"A H -0.0719 0.6063 1.0457 0.054 Uiso 0.27(2) 1 calc R U P A 3
C6" C -0.1027(9) 0.6259(15) 0.9250(14) 0.024(7) Uiso 0.27(2) 1 d G . P A 3
H6"A H -0.1570 0.6304 0.9252 0.029 Uiso 0.27(2) 1 calc R U P A 3
C7" C -0.0737(11) 0.6336(16) 0.8530(11) 0.023(7) Uiso 0.27(2) 1 d G . P A 3
H7"A H -0.1083 0.6434 0.8041 0.028 Uiso 0.27(2) 1 calc R U P A 3
C8" C 0.0058(12) 0.6269(17) 0.8526(11) 0.027(7) Uiso 0.27(2) 1 d G . P A 3
H8"A H 0.0256 0.6322 0.8034 0.033 Uiso 0.27(2) 1 calc R U P A 3
C11 C 0.3177(4) 0.5292(4) 0.6546(4) 0.0204(14) Uani 1 1 d . . . . .
C12 C 0.3496(4) 0.5043(5) 0.5871(4) 0.0225(15) Uani 1 1 d . . . . .
C13 C 0.3626(4) 0.4250(5) 0.5558(4) 0.0238(16) Uani 1 1 d . . . . .
C14 C 0.4122(6) 0.4169(6) 0.4968(5) 0.0342(19) Uani 1 1 d . . . . .
H14A H 0.4372 0.4624 0.4798 0.041 Uiso 1 1 calc R U . . .
C15 C 0.4245(6) 0.3453(6) 0.4644(5) 0.039(2) Uani 1 1 d . . . . .
H15A H 0.4575 0.3413 0.4249 0.047 Uiso 1 1 calc R U . . .
C16 C 0.3887(6) 0.2772(6) 0.4891(6) 0.038(2) Uani 1 1 d . . . . .
H16A H 0.3963 0.2273 0.4656 0.045 Uiso 1 1 calc R U . . .
C17 C 0.3423(5) 0.2837(5) 0.5480(6) 0.036(2) Uani 1 1 d . . . . .
H17A H 0.3186 0.2377 0.5656 0.043 Uiso 1 1 calc R U . . .
C18 C 0.3295(5) 0.3584(5) 0.5825(5) 0.0314(18) Uani 1 1 d . . . . .
H18A H 0.2983 0.3621 0.6238 0.038 Uiso 1 1 calc R U . . .
C21 C 0.0084(5) 0.6362(6) 0.5881(5) 0.0328(19) Uani 1 1 d . . . . .
C22 C -0.0315(6) 0.5950(9) 0.6377(6) 0.061(4) Uani 1 1 d . . . . .
H22A H -0.0031 0.5693 0.6836 0.073 Uiso 1 1 calc R U . . .
C23 C -0.1119(6) 0.5892(10) 0.6241(7) 0.066(4) Uani 1 1 d . . . . .
H23A H -0.1378 0.5577 0.6583 0.080 Uiso 1 1 calc R U . . .
C24 C -0.1537(6) 0.6295(7) 0.5605(7) 0.052(3) Uani 1 1 d . . . . .
H24A H -0.2090 0.6277 0.5514 0.063 Uiso 1 1 calc R U . . .
C25 C -0.1156(7) 0.6719(10) 0.5107(10) 0.086(5) Uani 1 1 d . . . . .
H25A H -0.1444 0.6976 0.4651 0.104 Uiso 1 1 calc R U . . .
C26 C -0.0345(7) 0.6784(9) 0.5255(9) 0.070(4) Uani 1 1 d . . . . .
H26A H -0.0088 0.7116 0.4925 0.084 Uiso 1 1 calc R U . . .
C27 C 0.1387(6) 0.5617(7) 0.5357(5) 0.046(3) Uani 1 1 d . . . . .
H27A H 0.1134 0.5766 0.4813 0.069 Uiso 1 1 calc R U . . .
H27B H 0.1203 0.5092 0.5491 0.069 Uiso 1 1 calc R U . . .
H27C H 0.1952 0.5603 0.5377 0.069 Uiso 1 1 calc R U . . .
C28 C 0.1475(6) 0.7263(6) 0.5712(6) 0.041(2) Uani 1 1 d . . . . .
H28A H 0.1242 0.7334 0.5145 0.062 Uiso 1 1 calc R U . . .
H28B H 0.2044 0.7256 0.5760 0.062 Uiso 1 1 calc R U . . .
H28C H 0.1319 0.7701 0.6033 0.062 Uiso 1 1 calc R U . . .
C31 C 0.3008(4) 0.8896(4) 0.7912(5) 0.0217(15) Uani 1 1 d . . . . .
C32 C 0.2743(5) 0.9013(5) 0.7094(5) 0.0291(17) Uani 1 1 d . . . . .
H32A H 0.2677 0.8573 0.6738 0.035 Uiso 1 1 calc R U . . .
C33 C 0.2575(5) 0.9771(5) 0.6795(5) 0.0334(19) Uani 1 1 d . . . . .
H33A H 0.2392 0.9851 0.6236 0.040 Uiso 1 1 calc R U . . .
C34 C 0.2675(5) 1.0409(6) 0.7316(5) 0.0342(19) Uani 1 1 d . . . . .
H34A H 0.2558 1.0927 0.7113 0.041 Uiso 1 1 calc R U . . .
C35 C 0.2943(5) 1.0301(5) 0.8128(5) 0.0317(18) Uani 1 1 d . . . . .
H35A H 0.3011 1.0744 0.8480 0.038 Uiso 1 1 calc R U . . .
C36 C 0.3112(5) 0.9546(5) 0.8428(5) 0.0274(17) Uani 1 1 d . . . . .
H36A H 0.3300 0.9472 0.8987 0.033 Uiso 1 1 calc R U . . .
C37 C 0.4150(4) 0.7956(5) 0.8955(5) 0.0270(17) Uani 1 1 d . . . . .
H37A H 0.4153 0.8383 0.9351 0.040 Uiso 1 1 calc R U . . .
H37B H 0.4547 0.8062 0.8617 0.040 Uiso 1 1 calc R U . . .
H37C H 0.4264 0.7452 0.9238 0.040 Uiso 1 1 calc R U . . .
C38 C 0.2540(5) 0.7817(5) 0.9051(5) 0.0307(18) Uani 1 1 d . . . . .
H38A H 0.2617 0.8265 0.9426 0.046 Uiso 1 1 calc R U . . .
H38B H 0.2645 0.7321 0.9354 0.046 Uiso 1 1 calc R U . . .
H38C H 0.2001 0.7815 0.8767 0.046 Uiso 1 1 calc R U . . .
C41 C 0.5061(5) 0.4342(5) 0.8458(5) 0.0287(17) Uani 1 1 d . . . . .
C42 C 0.4596(6) 0.3880(6) 0.7884(6) 0.040(2) Uani 1 1 d . . . . .
H42A H 0.4194 0.4119 0.7509 0.048 Uiso 1 1 calc R U . . .
C43 C 0.4721(5) 0.3073(6) 0.7860(7) 0.042(2) Uani 1 1 d . . . . .
H43A H 0.4407 0.2756 0.7467 0.051 Uiso 1 1 calc R U . . .
C44 C 0.5309(5) 0.2725(6) 0.8413(6) 0.035(2) Uani 1 1 d . . . . .
H44A H 0.5388 0.2170 0.8402 0.043 Uiso 1 1 calc R U . . .
C45 C 0.5772(5) 0.3180(6) 0.8973(5) 0.037(2) Uani 1 1 d . . . . .
H45A H 0.6177 0.2940 0.9341 0.044 Uiso 1 1 calc R U . . .
C46 C 0.5653(5) 0.3985(6) 0.9002(5) 0.0309(18) Uani 1 1 d . . . . .
H46A H 0.5973 0.4297 0.9394 0.037 Uiso 1 1 calc R U . . .
C47 C 0.5124(5) 0.5743(6) 0.7529(6) 0.039(2) Uani 1 1 d . . . . .
H47A H 0.5645 0.5551 0.7477 0.058 Uiso 1 1 calc R U . . .
H47B H 0.5124 0.6323 0.7530 0.058 Uiso 1 1 calc R U . . .
H47C H 0.4746 0.5550 0.7074 0.058 Uiso 1 1 calc R U . . .
C48 C 0.5618(5) 0.5813(6) 0.9213(6) 0.041(2) Uani 1 1 d . . . . .
H48A H 0.6130 0.5659 0.9096 0.062 Uiso 1 1 calc R U . . .
H48B H 0.5558 0.5618 0.9749 0.062 Uiso 1 1 calc R U . . .
H48C H 0.5572 0.6391 0.9200 0.062 Uiso 1 1 calc R U . . .
C51 C 0.0953(6) 0.3678(9) 0.781(1) 0.029(3) Uiso 0.445(14) 1 d G . P B 1
C52 C 0.0522(8) 0.4309(7) 0.8034(9) 0.034(5) Uiso 0.445(14) 1 d G . P B 1
H52A H 0.0780 0.4761 0.8286 0.041 Uiso 0.445(14) 1 calc R U P B 1
C53 C -0.0287(8) 0.4278(8) 0.7888(10) 0.042(5) Uiso 0.445(14) 1 d G . P B 1
H53A H -0.0582 0.4708 0.8041 0.051 Uiso 0.445(14) 1 calc R U P B 1
C54 C -0.0665(6) 0.3616(10) 0.7519(11) 0.042(6) Uiso 0.445(14) 1 d G . P B 1
H54A H -0.1217 0.3595 0.7419 0.050 Uiso 0.445(14) 1 calc R U P B 1
C55 C -0.0233(9) 0.2986(9) 0.7295(11) 0.063(8) Uiso 0.445(14) 1 d G . P B 1
H55A H -0.0491 0.2534 0.7043 0.076 Uiso 0.445(14) 1 calc R U P B 1
C56 C 0.0575(9) 0.3017(8) 0.7441(11) 0.060(7) Uiso 0.445(14) 1 d G . P B 1
H56A H 0.0870 0.2586 0.7288 0.072 Uiso 0.445(14) 1 calc R U P B 1
C51' C 0.0940(9) 0.3869(14) 0.7860(12) 0.029(3) Uiso 0.322(15) 1 d G . P B 2
C52' C 0.0471(13) 0.4120(15) 0.8405(10) 0.054(9) Uiso 0.322(15) 1 d G . P B 2
H52B H 0.0701 0.4286 0.8931 0.065 Uiso 0.322(15) 1 calc R U P B 2
C53' C -0.0333(12) 0.4129(16) 0.8181(13) 0.057(10) Uiso 0.322(15) 1 d G . P B 2
H53B H -0.0654 0.4301 0.8554 0.068 Uiso 0.322(15) 1 calc R U P B 2
C54' C -0.0669(9) 0.3887(16) 0.7412(15) 0.048(9) Uiso 0.322(15) 1 d G . P B 2
H54B H -0.1219 0.3893 0.7259 0.058 Uiso 0.322(15) 1 calc R U P B 2
C55' C -0.0200(12) 0.3635(15) 0.6866(11) 0.046(8) Uiso 0.322(15) 1 d G . P B 2
H55B H -0.0430 0.3470 0.6340 0.055 Uiso 0.322(15) 1 calc R U P B 2
C56' C 0.0604(11) 0.3626(14) 0.7090(11) 0.044(8) Uiso 0.322(15) 1 d G . P B 2
H56B H 0.0925 0.3454 0.6718 0.053 Uiso 0.322(15) 1 calc R U P B 2
C51" C 0.1073(13) 0.3736(18) 0.7747(17) 0.029(3) Uiso 0.234(13) 1 d G . P B 3
C52" C 0.0772(14) 0.4105(16) 0.7023(15) 0.033(9) Uiso 0.234(13) 1 d G . P B 3
H52C H 0.1114 0.4347 0.6709 0.040 Uiso 0.234(13) 1 calc R U P B 3
C54" C -0.0027(15) 0.4121(18) 0.6760(15) 0.044(10) Uiso 0.234(13) 1 d G . P B 3
H54C H -0.0232 0.4374 0.6266 0.052 Uiso 0.234(13) 1 calc R U P B 3
C53" C -0.0526(12) 0.377(2) 0.722(2) 0.054(13) Uiso 0.234(13) 1 d G . P B 3
H53C H -0.1073 0.3779 0.7041 0.065 Uiso 0.234(13) 1 calc R U P B 3
C55" C -0.0226(17) 0.340(2) 0.7945(19) 0.066(15) Uiso 0.234(13) 1 d G . P B 3
H55C H -0.0567 0.3156 0.8259 0.080 Uiso 0.234(13) 1 calc R U P B 3
C56" C 0.0573(18) 0.3382(19) 0.8208(15) 0.051(12) Uiso 0.234(13) 1 d G . P B 3
H56C H 0.0779 0.3129 0.8702 0.061 Uiso 0.234(13) 1 calc R U P B 3
C57 C 0.2264(5) 0.3855(6) 0.9149(5) 0.036(2) Uani 1 1 d . . . . .
H57A H 0.2014 0.3421 0.9397 0.054 Uiso 1 1 calc R U . . .
H57B H 0.2068 0.4362 0.9315 0.054 Uiso 1 1 calc R U . . .
H57C H 0.2829 0.3829 0.9323 0.054 Uiso 1 1 calc R U . . .
C58 C 0.2350(6) 0.2764(6) 0.7870(7) 0.046(2) Uani 1 1 d . . . . .
H58A H 0.2109 0.2392 0.8202 0.068 Uiso 1 1 calc R U . . .
H58B H 0.2918 0.2726 0.8008 0.068 Uiso 1 1 calc R U . . .
H58C H 0.2189 0.2634 0.7298 0.068 Uiso 1 1 calc R U . . .


_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 2.033(8) . ?
Au1 P1 2.293(2) . ?
Au1 Au2 3.0420(4) . ?
Au1 Au4 3.0562(5) . ?
Au2 N4 2.059(6) . ?
Au2 P2 2.2539(19) . ?
Au2 Au3 3.0882(4) . ?
Au3 N1 2.049(7) . ?
Au3 P3 2.240(2) . ?
Au3 Au4 3.1336(4) . ?
Au4 C11 2.046(7) . ?
Au4 P4 2.286(2) . ?
P1 C28 1.809(10) . ?
P1 C27 1.816(10) . ?
P1 C21 1.826(9) . ?
P2 C38 1.813(8) . ?
P2 C37 1.814(8) . ?
P2 C31 1.823(8) . ?
P3 C41 1.798(9) . ?
P3 C47 1.802(9) . ?
P3 C48 1.815(9) . ?
P4 C51" 1.69(2) . ?
P4 C57 1.815(9) . ?
P4 C58 1.821(11) . ?
P4 C51 1.882(11) . ?
P4 C51' 1.902(16) . ?
N1 N2 1.361(9) . ?
N1 C1 1.363(10) . ?
N2 N3 1.32(1) . ?
N3 C2 1.341(10) . ?
N4 C11 1.348(10) . ?
N4 N5 1.376(9) . ?
N5 N6 1.333(9) . ?
N6 C12 1.357(10) . ?
C1 C2 1.400(11) . ?
C2 C3 1.496(13) . ?
C2 C3' 1.498(18) . ?
C2 C3" 1.518(17) . ?
C3 C4 1.3900 . ?
C3 C8 1.3900 . ?
C4 C5 1.3900 . ?
C4 H4A 0.9500 . ?
C5 C6 1.3900 . ?
C5 H5A 0.9500 . ?
C6 C7 1.3900 . ?
C6 H6A 0.9500 . ?
C7 C8 1.3900 . ?
C7 H7A 0.9500 . ?
C8 H8A 0.9500 . ?
C3' C4' 1.3900 . ?
C3' C8' 1.3900 . ?
C4' C5' 1.3900 . ?
C4' H4'A 0.9500 . ?
C5' C6' 1.3900 . ?
C5' H5'A 0.9500 . ?
C6' C7' 1.3900 . ?
C6' H6'A 0.9500 . ?
C7' C8' 1.3900 . ?
C7' H7'A 0.9500 . ?
C8' H8'A 0.9500 . ?
C3" C4" 1.3900 . ?
C3" C8" 1.3900 . ?
C4" C5" 1.3900 . ?
C4" H4"A 0.9500 . ?
C5" C6" 1.3900 . ?
C5" H5"A 0.9500 . ?
C6" C7" 1.3900 . ?
C6" H6"A 0.9500 . ?
C7" C8" 1.3900 . ?
C7" H7"A 0.9500 . ?
C8" H8"A 0.9500 . ?
C11 C12 1.407(10) . ?
C12 C13 1.470(11) . ?
C13 C18 1.374(12) . ?
C13 C14 1.425(12) . ?
C14 C15 1.356(13) . ?
C14 H14A 0.9500 . ?
C15 C16 1.403(15) . ?
C15 H15A 0.9500 . ?
C16 C17 1.379(14) . ?
C16 H16A 0.9500 . ?
C17 C18 1.421(13) . ?
C17 H17A 0.9500 . ?
C18 H18A 0.9500 . ?
C21 C22 1.361(16) . ?
C21 C26 1.382(14) . ?
C22 C23 1.384(14) . ?
C22 H22A 0.9500 . ?
C23 C24 1.371(17) . ?
C23 H23A 0.9500 . ?
C24 C25 1.353(19) . ?
C24 H24A 0.9500 . ?
C25 C26 1.398(16) . ?
C25 H25A 0.9500 . ?
C26 H26A 0.9500 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C31 C32 1.389(11) . ?
C31 C36 1.394(11) . ?
C32 C33 1.390(12) . ?
C32 H32A 0.9500 . ?
C33 C34 1.380(12) . ?
C33 H33A 0.9500 . ?
C34 C35 1.378(12) . ?
C34 H34A 0.9500 . ?
C35 C36 1.385(12) . ?
C35 H35A 0.9500 . ?
C36 H36A 0.9500 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C41 C42 1.392(12) . ?
C41 C46 1.397(11) . ?
C42 C43 1.383(14) . ?
C42 H42A 0.9500 . ?
C43 C44 1.394(13) . ?
C43 H43A 0.9500 . ?
C44 C45 1.369(14) . ?
C44 H44A 0.9500 . ?
C45 C46 1.378(14) . ?
C45 H45A 0.9500 . ?
C46 H46A 0.9500 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C51 C52 1.3900 . ?
C51 C56 1.3900 . ?
C52 C53 1.3900 . ?
C52 H52A 0.9500 . ?
C53 C54 1.3900 . ?
C53 H53A 0.9500 . ?
C54 C55 1.3900 . ?
C54 H54A 0.9500 . ?
C55 C56 1.3900 . ?
C55 H55A 0.9500 . ?
C56 H56A 0.9500 . ?
C51' C52' 1.3900 . ?
C51' C56' 1.3900 . ?
C52' C53' 1.3900 . ?
C52' H52B 0.9500 . ?
C53' C54' 1.3900 . ?
C53' H53B 0.9500 . ?
C54' C55' 1.3900 . ?
C54' H54B 0.9500 . ?
C55' C56' 1.3900 . ?
C55' H55B 0.9500 . ?
C56' H56B 0.9500 . ?
C51" C52" 1.3900 . ?
C51" C56" 1.3900 . ?
C52" C54" 1.3900 . ?
C52" H52C 0.9500 . ?
C54" C53" 1.3900 . ?
C54" H54C 0.9500 . ?
C53" C55" 1.3900 . ?
C53" H53C 0.9500 . ?
C55" C56" 1.3900 . ?
C55" H55C 0.9500 . ?
C56" H56C 0.9500 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 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
C1 Au1 P1 173.2(2) . . ?
C1 Au1 Au2 90.2(2) . . ?
P1 Au1 Au2 93.99(6) . . ?
C1 Au1 Au4 84.5(2) . . ?
P1 Au1 Au4 101.42(6) . . ?
Au2 Au1 Au4 80.579(11) . . ?
N4 Au2 P2 172.43(19) . . ?
N4 Au2 Au1 81.94(18) . . ?
P2 Au2 Au1 105.63(5) . . ?
N4 Au2 Au3 87.55(17) . . ?
P2 Au2 Au3 93.52(5) . . ?
Au1 Au2 Au3 79.842(11) . . ?
N1 Au3 P3 171.99(18) . . ?
N1 Au3 Au2 86.09(18) . . ?
P3 Au3 Au2 101.02(6) . . ?
N1 Au3 Au4 82.49(19) . . ?
P3 Au3 Au4 102.40(6) . . ?
Au2 Au3 Au4 78.659(11) . . ?
C11 Au4 P4 170.5(2) . . ?
C11 Au4 Au1 87.3(2) . . ?
P4 Au4 Au1 100.14(6) . . ?
C11 Au4 Au3 85.2(2) . . ?
P4 Au4 Au3 102.02(6) . . ?
Au1 Au4 Au3 78.916(11) . . ?
C28 P1 C27 103.4(5) . . ?
C28 P1 C21 106.6(5) . . ?
C27 P1 C21 103.4(4) . . ?
C28 P1 Au1 114.2(3) . . ?
C27 P1 Au1 117.4(3) . . ?
C21 P1 Au1 110.8(3) . . ?
C38 P2 C37 103.3(4) . . ?
C38 P2 C31 103.6(4) . . ?
C37 P2 C31 105.7(4) . . ?
C38 P2 Au2 116.2(3) . . ?
C37 P2 Au2 111.6(3) . . ?
C31 P2 Au2 115.1(3) . . ?
C41 P3 C47 104.6(5) . . ?
C41 P3 C48 106.0(4) . . ?
C47 P3 C48 102.5(5) . . ?
C41 P3 Au3 111.9(3) . . ?
C47 P3 Au3 117.2(3) . . ?
C48 P3 Au3 113.5(3) . . ?
C51" P4 C57 110.5(10) . . ?
C51" P4 C58 103.0(11) . . ?
C57 P4 C58 103.4(5) . . ?
C57 P4 C51 105.6(6) . . ?
C58 P4 C51 101.6(6) . . ?
C57 P4 C51' 102.1(7) . . ?
C58 P4 C51' 111.8(8) . . ?
C51" P4 Au4 111.6(10) . . ?
C57 P4 Au4 116.8(3) . . ?
C58 P4 Au4 110.3(4) . . ?
C51 P4 Au4 117.2(5) . . ?
C51' P4 Au4 112.0(7) . . ?
N2 N1 C1 111.1(6) . . ?
N2 N1 Au3 116.5(5) . . ?
C1 N1 Au3 132.4(5) . . ?
N3 N2 N1 108.0(6) . . ?
N2 N3 C2 107.7(7) . . ?
C11 N4 N5 110.1(6) . . ?
C11 N4 Au2 131.8(5) . . ?
N5 N4 Au2 116.7(5) . . ?
N6 N5 N4 108.2(6) . . ?
N5 N6 C12 107.8(6) . . ?
N1 C1 C2 102.1(7) . . ?
N1 C1 Au1 125.6(6) . . ?
C2 C1 Au1 132.1(6) . . ?
N3 C2 C1 111.0(7) . . ?
N3 C2 C3 120.8(9) . . ?
C1 C2 C3 128.1(9) . . ?
N3 C2 C3' 121.4(11) . . ?
C1 C2 C3' 126.2(11) . . ?
N3 C2 C3" 117.1(10) . . ?
C1 C2 C3" 131.8(11) . . ?
C4 C3 C8 120.0 . . ?
C4 C3 C2 118.2(10) . . ?
C8 C3 C2 121.5(10) . . ?
C5 C4 C3 120.0 . . ?
C5 C4 H4A 120.0 . . ?
C3 C4 H4A 120.0 . . ?
C6 C5 C4 120.0 . . ?
C6 C5 H5A 120.0 . . ?
C4 C5 H5A 120.0 . . ?
C5 C6 C7 120.0 . . ?
C5 C6 H6A 120.0 . . ?
C7 C6 H6A 120.0 . . ?
C8 C7 C6 120.0 . . ?
C8 C7 H7A 120.0 . . ?
C6 C7 H7A 120.0 . . ?
C7 C8 C3 120.0 . . ?
C7 C8 H8A 120.0 . . ?
C3 C8 H8A 120.0 . . ?
C4' C3' C8' 120.0 . . ?
C4' C3' C2 115.5(14) . . ?
C8' C3' C2 124.5(14) . . ?
C3' C4' C5' 120.0 . . ?
C3' C4' H4'A 120.0 . . ?
C5' C4' H4'A 120.0 . . ?
C6' C5' C4' 120.0 . . ?
C6' C5' H5'A 120.0 . . ?
C4' C5' H5'A 120.0 . . ?
C7' C6' C5' 120.0 . . ?
C7' C6' H6'A 120.0 . . ?
C5' C6' H6'A 120.0 . . ?
C6' C7' C8' 120.0 . . ?
C6' C7' H7'A 120.0 . . ?
C8' C7' H7'A 120.0 . . ?
C7' C8' C3' 120.0 . . ?
C7' C8' H8'A 120.0 . . ?
C3' C8' H8'A 120.0 . . ?
C4" C3" C8" 120.0 . . ?
C4" C3" C2 118.4(14) . . ?
C8" C3" C2 121.5(14) . . ?
C5" C4" C3" 120.0 . . ?
C5" C4" H4"A 120.0 . . ?
C3" C4" H4"A 120.0 . . ?
C4" C5" C6" 120.0 . . ?
C4" C5" H5"A 120.0 . . ?
C6" C5" H5"A 120.0 . . ?
C7" C6" C5" 120.0 . . ?
C7" C6" H6"A 120.0 . . ?
C5" C6" H6"A 120.0 . . ?
C6" C7" C8" 120.0 . . ?
C6" C7" H7"A 120.0 . . ?
C8" C7" H7"A 120.0 . . ?
C7" C8" C3" 120.0 . . ?
C7" C8" H8"A 120.0 . . ?
C3" C8" H8"A 120.0 . . ?
N4 C11 C12 104.5(6) . . ?
N4 C11 Au4 125.1(6) . . ?
C12 C11 Au4 130.1(6) . . ?
N6 C12 C11 109.4(7) . . ?
N6 C12 C13 118.9(7) . . ?
C11 C12 C13 131.7(7) . . ?
C18 C13 C14 118.9(8) . . ?
C18 C13 C12 122.2(7) . . ?
C14 C13 C12 118.9(8) . . ?
C15 C14 C13 121.2(9) . . ?
C15 C14 H14A 119.4 . . ?
C13 C14 H14A 119.4 . . ?
C14 C15 C16 120.4(9) . . ?
C14 C15 H15A 119.8 . . ?
C16 C15 H15A 119.8 . . ?
C17 C16 C15 119.2(8) . . ?
C17 C16 H16A 120.4 . . ?
C15 C16 H16A 120.4 . . ?
C16 C17 C18 120.9(9) . . ?
C16 C17 H17A 119.6 . . ?
C18 C17 H17A 119.6 . . ?
C13 C18 C17 119.4(8) . . ?
C13 C18 H18A 120.3 . . ?
C17 C18 H18A 120.3 . . ?
C22 C21 C26 117.6(9) . . ?
C22 C21 P1 118.7(7) . . ?
C26 C21 P1 123.7(8) . . ?
C21 C22 C23 122.6(11) . . ?
C21 C22 H22A 118.7 . . ?
C23 C22 H22A 118.7 . . ?
C24 C23 C22 119.1(13) . . ?
C24 C23 H23A 120.4 . . ?
C22 C23 H23A 120.4 . . ?
C25 C24 C23 119.5(10) . . ?
C25 C24 H24A 120.2 . . ?
C23 C24 H24A 120.2 . . ?
C24 C25 C26 121.0(11) . . ?
C24 C25 H25A 119.5 . . ?
C26 C25 H25A 119.5 . . ?
C21 C26 C25 119.8(12) . . ?
C21 C26 H26A 120.1 . . ?
C25 C26 H26A 120.1 . . ?
P1 C27 H27A 109.5 . . ?
P1 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
P1 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
P1 C28 H28A 109.5 . . ?
P1 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
P1 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C32 C31 C36 119.4(7) . . ?
C32 C31 P2 121.2(6) . . ?
C36 C31 P2 119.3(6) . . ?
C31 C32 C33 120.3(8) . . ?
C31 C32 H32A 119.9 . . ?
C33 C32 H32A 119.9 . . ?
C34 C33 C32 119.5(8) . . ?
C34 C33 H33A 120.2 . . ?
C32 C33 H33A 120.2 . . ?
C35 C34 C33 120.7(9) . . ?
C35 C34 H34A 119.6 . . ?
C33 C34 H34A 119.6 . . ?
C34 C35 C36 119.9(8) . . ?
C34 C35 H35A 120.0 . . ?
C36 C35 H35A 120.0 . . ?
C35 C36 C31 120.0(7) . . ?
C35 C36 H36A 120.0 . . ?
C31 C36 H36A 120.0 . . ?
P2 C37 H37A 109.5 . . ?
P2 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
P2 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
P2 C38 H38A 109.5 . . ?
P2 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
P2 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C42 C41 C46 119.6(8) . . ?
C42 C41 P3 117.5(6) . . ?
C46 C41 P3 122.9(7) . . ?
C43 C42 C41 119.8(9) . . ?
C43 C42 H42A 120.1 . . ?
C41 C42 H42A 120.1 . . ?
C42 C43 C44 119.9(9) . . ?
C42 C43 H43A 120.1 . . ?
C44 C43 H43A 120.1 . . ?
C45 C44 C43 120.5(9) . . ?
C45 C44 H44A 119.8 . . ?
C43 C44 H44A 119.8 . . ?
C44 C45 C46 120.2(8) . . ?
C44 C45 H45A 119.9 . . ?
C46 C45 H45A 119.9 . . ?
C45 C46 C41 120.2(8) . . ?
C45 C46 H46A 119.9 . . ?
C41 C46 H46A 119.9 . . ?
P3 C47 H47A 109.5 . . ?
P3 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
P3 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
P3 C48 H48A 109.5 . . ?
P3 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
P3 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C52 C51 C56 120.0 . . ?
C52 C51 P4 116.7(9) . . ?
C56 C51 P4 123.3(9) . . ?
C53 C52 C51 120.0 . . ?
C53 C52 H52A 120.0 . . ?
C51 C52 H52A 120.0 . . ?
C54 C53 C52 120.0 . . ?
C54 C53 H53A 120.0 . . ?
C52 C53 H53A 120.0 . . ?
C53 C54 C55 120.0 . . ?
C53 C54 H54A 120.0 . . ?
C55 C54 H54A 120.0 . . ?
C56 C55 C54 120.0 . . ?
C56 C55 H55A 120.0 . . ?
C54 C55 H55A 120.0 . . ?
C55 C56 C51 120.0 . . ?
C55 C56 H56A 120.0 . . ?
C51 C56 H56A 120.0 . . ?
C52' C51' C56' 120.0 . . ?
C52' C51' P4 126.7(12) . . ?
C56' C51' P4 113.2(12) . . ?
C53' C52' C51' 120.0 . . ?
C53' C52' H52B 120.0 . . ?
C51' C52' H52B 120.0 . . ?
C54' C53' C52' 120.0 . . ?
C54' C53' H53B 120.0 . . ?
C52' C53' H53B 120.0 . . ?
C53' C54' C55' 120.0 . . ?
C53' C54' H54B 120.0 . . ?
C55' C54' H54B 120.0 . . ?
C56' C55' C54' 120.0 . . ?
C56' C55' H55B 120.0 . . ?
C54' C55' H55B 120.0 . . ?
C55' C56' C51' 120.0 . . ?
C55' C56' H56B 120.0 . . ?
C51' C56' H56B 120.0 . . ?
C52" C51" C56" 120.0 . . ?
C52" C51" P4 118.1(16) . . ?
C56" C51" P4 121.9(16) . . ?
C51" C52" C54" 120.0 . . ?
C51" C52" H52C 120.0 . . ?
C54" C52" H52C 120.0 . . ?
C53" C54" C52" 120.0 . . ?
C53" C54" H54C 120.0 . . ?
C52" C54" H54C 120.0 . . ?
C54" C53" C55" 120.0 . . ?
C54" C53" H53C 120.0 . . ?
C55" C53" H53C 120.0 . . ?
C56" C55" C53" 120.0 . . ?
C56" C55" H55C 120.0 . . ?
C53" C55" H55C 120.0 . . ?
C55" C56" C51" 120.0 . . ?
C55" C56" H56C 120.0 . . ?
C51" C56" H56C 120.0 . . ?
P4 C57 H57A 109.5 . . ?
P4 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
P4 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
P4 C58 H58A 109.5 . . ?
P4 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
P4 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?

_refine_diff_density_max         4.440
_refine_diff_density_min         -1.943
_refine_diff_density_rms         0.212

_shelxl_version_number           2013-3

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_xy08
_database_code_depnum_ccdc_archive 'CCDC 1037247'

_audit_update_record             
;
2014-12-02 deposited with the CCDC.
2015-05-19 downloaded from the CCDC.
;
# publcif _publ_body_element loop end

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H70 Au4 N6 P4'
_chemical_formula_weight         1546.76

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'
N N 0.0061 0.0033 '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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

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

_cell_length_a                   17.0309(10)
_cell_length_b                   23.5362(14)
_cell_length_c                   12.0454(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4828.3(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9782
_cell_measurement_theta_min      2.0
_cell_measurement_theta_max      28.0

_exptl_crystal_description       needles
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.128
_exptl_crystal_F_000             2912
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.322
_exptl_crystal_size_mid          0.023
_exptl_crystal_size_min          0.023
_exptl_absorpt_coefficient_mu    12.283
_shelx_estimated_absorpt_T_min   0.110
_shelx_estimated_absorpt_T_max   0.765
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.3022
_exptl_absorpt_correction_T_max  0.8264
_exptl_absorpt_process_details   
'based on measured indexed crystal faces, Bruker SHELXTL  v6.14 (Bruker 2008)'

_exptl_special_details           ?

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II DUO'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            74359
_diffrn_reflns_av_unetI/netI     0.0294
_diffrn_reflns_av_R_equivalents  0.0468
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.476
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             11069
_reflns_number_gt                10273
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.906
_reflns_Friedel_fraction_max     0.998
_reflns_Friedel_fraction_full    0.997

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2 (Bruker, 2008)'
_computing_cell_refinement       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT (Bruker, 2008)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'SHELXL-2013 (Sheldrick, 2013)'
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'

_refine_special_details          
; 
All H atoms were positioned geometrically ( C---H = 0.93/1.00 Å) and 
allowed to ride with Uiso(H)= 1.2/1.5Ueq(C). 
Methyl ones were allowed to rotate around the corresponding C---C. 

One ethyl group on P1 and two on P4 are disordered and refined in two parts for
 each.  The structure was solved and refined in space group Pna21 but the
 structure was check for the presence of mirror or inversion symmetry but none
 was found, thus confirming the space group chosen.  
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0231P)²+6.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
; 
 Flack x determined using 4613 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons and Flack (2004), Acta Cryst. A60, s61). 
;
_refine_ls_abs_structure_Flack   -0.016(3)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         11069
_refine_ls_number_parameters     483
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0227
_refine_ls_R_factor_gt           0.0195
_refine_ls_wR_factor_ref         0.0435
_refine_ls_wR_factor_gt          0.0428
_refine_ls_goodness_of_fit_ref   0.918
_refine_ls_restrained_S_all      0.918
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.18820(2) 0.53880(2) 0.11451(2) 0.01558(6) Uani 1 1 d . . . . .
Au2 Au 0.34564(2) 0.47700(2) 0.12142(2) 0.01484(5) Uani 1 1 d . . . . .
Au3 Au 0.27427(2) 0.44122(2) 0.35061(2) 0.01228(5) Uani 1 1 d . . . . .
Au4 Au 0.23533(2) 0.56698(2) 0.35289(2) 0.01410(5) Uani 1 1 d . . . . .
P1 P 0.21720(12) 0.61864(8) 0.02112(16) 0.0209(4) Uani 1 1 d . . . . .
P2 P 0.32368(11) 0.39507(8) 0.03022(15) 0.0174(4) Uani 1 1 d . . . . .
P3 P 0.38244(10) 0.44094(8) 0.46442(14) 0.0140(3) Uani 1 1 d . . . . .
P4 P 0.11599(13) 0.56363(9) 0.4420(2) 0.0300(5) Uani 1 1 d . . . . .
N1 N 0.1476(3) 0.4636(3) 0.1780(5) 0.0177(13) Uani 1 1 d . . . . .
N2 N 0.0796(3) 0.4432(2) 0.1336(5) 0.0191(12) Uani 1 1 d . . . . .
N3 N 0.0605(3) 0.3969(3) 0.1855(5) 0.0193(13) Uani 1 1 d . . . . .
N4 N 0.3751(3) 0.5520(2) 0.1959(5) 0.0153(12) Uani 1 1 d . . . . .
N5 N 0.4406(3) 0.5793(3) 0.1578(5) 0.0218(14) Uani 1 1 d . . . . .
N6 N 0.4502(3) 0.6261(3) 0.2154(5) 0.0198(13) Uani 1 1 d . . . . .
C1 C 0.1720(4) 0.4294(3) 0.2623(6) 0.0147(14) Uani 1 1 d . . . . .
C2 C 0.1159(4) 0.3872(3) 0.2672(6) 0.0175(14) Uani 1 1 d . . . . .
C3 C 0.1026(4) 0.3401(3) 0.3452(6) 0.0192(14) Uani 1 1 d . . . . .
C4 C 0.1386(5) 0.3389(3) 0.4496(6) 0.0260(17) Uani 1 1 d . . . . .
H4A H 0.1758 0.3673 0.4684 0.031 Uiso 1 1 calc R U . . .
C5 C 0.1205(5) 0.2966(4) 0.5264(7) 0.032(2) Uani 1 1 d . . . . .
H5A H 0.1444 0.2970 0.5976 0.039 Uiso 1 1 calc R U . . .
C6 C 0.0680(5) 0.2541(4) 0.4994(7) 0.032(2) Uani 1 1 d . . . . .
H6A H 0.0559 0.2249 0.5512 0.039 Uiso 1 1 calc R U . . .
C7 C 0.0333(5) 0.2547(3) 0.3954(7) 0.0310(18) Uani 1 1 d . . . . .
H7A H -0.0028 0.2255 0.3764 0.037 Uiso 1 1 calc R U . . .
C8 C 0.0496(4) 0.2963(3) 0.3191(6) 0.0243(17) Uani 1 1 d . . . . .
H8A H 0.0250 0.2954 0.2483 0.029 Uiso 1 1 calc R U . . .
C11 C 0.3424(4) 0.5829(3) 0.2808(5) 0.0133(13) Uani 1 1 d . . . . .
C12 C 0.3918(4) 0.6300(3) 0.2925(6) 0.0165(14) Uani 1 1 d . . . . .
C13 C 0.3892(4) 0.6776(3) 0.3703(6) 0.0180(15) Uani 1 1 d . . . . .
C14 C 0.4166(4) 0.7310(3) 0.3390(7) 0.0281(17) Uani 1 1 d . . . . .
H14A H 0.4363 0.7366 0.2660 0.034 Uiso 1 1 calc R U . . .
C15 C 0.4155(5) 0.7759(3) 0.4123(8) 0.032(2) Uani 1 1 d . . . . .
H15A H 0.4336 0.8121 0.3887 0.038 Uiso 1 1 calc R U . . .
C16 C 0.3886(5) 0.7690(3) 0.5193(7) 0.033(2) Uani 1 1 d . . . . .
H16A H 0.3895 0.7998 0.5702 0.040 Uiso 1 1 calc R U . . .
C17 C 0.3608(6) 0.7175(4) 0.5510(7) 0.035(2) Uani 1 1 d . . . . .
H17A H 0.3414 0.7125 0.6243 0.042 Uiso 1 1 calc R U . . .
C18 C 0.3604(5) 0.6717(3) 0.4770(6) 0.0283(18) Uani 1 1 d . . . . .
H18A H 0.3401 0.6361 0.5004 0.034 Uiso 1 1 calc R U . . .
C21 C 0.2565(11) 0.6810(5) 0.0935(11) 0.018(4) Uiso 0.60(4) 1 d . . P A 1
H21A H 0.3090 0.6716 0.1235 0.022 Uiso 0.60(4) 1 calc R U P A 1
H21B H 0.2630 0.7123 0.0394 0.022 Uiso 0.60(4) 1 calc R U P A 1
C22 C 0.2043(14) 0.7013(7) 0.1881(12) 0.032(5) Uiso 0.60(4) 1 d . . P A 1
H22A H 0.2287 0.7341 0.2244 0.048 Uiso 0.60(4) 1 calc R U P A 1
H22B H 0.1976 0.6706 0.2421 0.048 Uiso 0.60(4) 1 calc R U P A 1
H22C H 0.1529 0.7123 0.1585 0.048 Uiso 0.60(4) 1 calc R U P A 1
C21' C 0.2286(17) 0.6813(8) 0.1079(18) 0.019(5) Uiso 0.40(4) 1 d . . P A 2
H21C H 0.2796 0.6781 0.1468 0.023 Uiso 0.40(4) 1 calc R U P A 2
H21D H 0.2322 0.7147 0.0582 0.023 Uiso 0.40(4) 1 calc R U P A 2
C22' C 0.168(2) 0.6933(10) 0.1918(18) 0.029(7) Uiso 0.40(4) 1 d . . P A 2
H22D H 0.1820 0.7280 0.2325 0.043 Uiso 0.40(4) 1 calc R U P A 2
H22E H 0.1646 0.6614 0.2438 0.043 Uiso 0.40(4) 1 calc R U P A 2
H22F H 0.1172 0.6986 0.1551 0.043 Uiso 0.40(4) 1 calc R U P A 2
C23 C 0.1337(5) 0.6406(3) -0.0633(7) 0.0283(18) Uani 1 1 d . . . . .
H23A H 0.0908 0.6538 -0.0143 0.034 Uiso 1 1 calc R U . . .
H23B H 0.1494 0.6726 -0.1115 0.034 Uiso 1 1 calc R U . . .
C24 C 0.1043(5) 0.5917(4) -0.1348(7) 0.039(2) Uani 1 1 d . . . . .
H24A H 0.0595 0.6045 -0.1792 0.058 Uiso 1 1 calc R U . . .
H24B H 0.0881 0.5602 -0.0870 0.058 Uiso 1 1 calc R U . . .
H24C H 0.1465 0.5790 -0.1842 0.058 Uiso 1 1 calc R U . . .
C25 C 0.2986(5) 0.6076(4) -0.0760(7) 0.0314(19) Uani 1 1 d . . . . .
H25A H 0.3480 0.6057 -0.0328 0.038 Uiso 1 1 calc R U . . .
H25B H 0.2914 0.5702 -0.1122 0.038 Uiso 1 1 calc R U . . .
C26 C 0.3082(5) 0.6522(4) -0.1659(7) 0.041(2) Uani 1 1 d . . . . .
H26A H 0.3534 0.6425 -0.2126 0.061 Uiso 1 1 calc R U . . .
H26B H 0.3168 0.6894 -0.1316 0.061 Uiso 1 1 calc R U . . .
H26C H 0.2607 0.6535 -0.2117 0.061 Uiso 1 1 calc R U . . .
C31 C 0.2288(4) 0.3917(3) -0.0394(6) 0.0249(17) Uani 1 1 d . . . . .
H31A H 0.2237 0.3542 -0.0760 0.030 Uiso 1 1 calc R U . . .
H31B H 0.1868 0.3945 0.0172 0.030 Uiso 1 1 calc R U . . .
C32 C 0.2164(5) 0.4376(4) -0.1249(7) 0.037(2) Uani 1 1 d . . . . .
H32A H 0.1646 0.4329 -0.1592 0.055 Uiso 1 1 calc R U . . .
H32B H 0.2571 0.4348 -0.1822 0.055 Uiso 1 1 calc R U . . .
H32C H 0.2194 0.4749 -0.0891 0.055 Uiso 1 1 calc R U . . .
C33 C 0.3960(4) 0.3812(3) -0.0778(6) 0.0260(17) Uani 1 1 d . . . . .
H33A H 0.3973 0.4142 -0.1288 0.031 Uiso 1 1 calc R U . . .
H33B H 0.4484 0.3782 -0.0427 0.031 Uiso 1 1 calc R U . . .
C34 C 0.3816(4) 0.3276(3) -0.1462(8) 0.0352(19) Uani 1 1 d . . . . .
H34A H 0.4234 0.3234 -0.2015 0.053 Uiso 1 1 calc R U . . .
H34B H 0.3308 0.3306 -0.1839 0.053 Uiso 1 1 calc R U . . .
H34C H 0.3814 0.2944 -0.0970 0.053 Uiso 1 1 calc R U . . .
C35 C 0.3235(5) 0.3321(3) 0.1183(8) 0.0333(18) Uani 1 1 d . . . . .
H35A H 0.2844 0.3374 0.1782 0.040 Uiso 1 1 calc R U . . .
H35B H 0.3069 0.2990 0.0734 0.040 Uiso 1 1 calc R U . . .
C36 C 0.4028(7) 0.3193(4) 0.1702(9) 0.064(4) Uani 1 1 d . . . . .
H36A H 0.3988 0.2852 0.2165 0.096 Uiso 1 1 calc R U . . .
H36B H 0.4193 0.3516 0.2161 0.096 Uiso 1 1 calc R U . . .
H36C H 0.4417 0.3130 0.1115 0.096 Uiso 1 1 calc R U . . .
C41 C 0.0356(15) 0.5939(12) 0.381(2) 0.072(8) Uiso 0.493(16) 1 d . . P B 1
H41A H -0.0081 0.5943 0.4348 0.086 Uiso 0.493(16) 1 calc R U P B 1
H41B H 0.0482 0.6339 0.3623 0.086 Uiso 0.493(16) 1 calc R U P B 1
C42 C 0.0091(13) 0.5657(9) 0.2803(17) 0.043(5) Uiso 0.493(16) 1 d . . P B 1
H42A H -0.0371 0.5854 0.2510 0.065 Uiso 0.493(16) 1 calc R U P B 1
H42B H -0.0047 0.5262 0.2975 0.065 Uiso 0.493(16) 1 calc R U P B 1
H42C H 0.0511 0.5663 0.2248 0.065 Uiso 0.493(16) 1 calc R U P B 1
C43 C 0.1223(11) 0.6085(7) 0.5697(14) 0.031(4) Uiso 0.493(16) 1 d . . P B 1
H43A H 0.0759 0.6033 0.6182 0.037 Uiso 0.493(16) 1 calc R U P B 1
H43B H 0.1707 0.6006 0.6125 0.037 Uiso 0.493(16) 1 calc R U P B 1
C44 C 0.1243(13) 0.6756(9) 0.5110(19) 0.044(5) Uiso 0.493(16) 1 d . . P B 1
H44A H 0.1286 0.7042 0.5698 0.066 Uiso 0.493(16) 1 calc R U P B 1
H44B H 0.0758 0.6819 0.4688 0.066 Uiso 0.493(16) 1 calc R U P B 1
H44C H 0.1695 0.6787 0.4611 0.066 Uiso 0.493(16) 1 calc R U P B 1
C41' C 0.0271(12) 0.5663(9) 0.3370(19) 0.044(5) Uiso 0.507(16) 1 d . . P B 2
H41C H 0.0256 0.5300 0.2955 0.053 Uiso 0.507(16) 1 calc R U P B 2
H41D H -0.0222 0.5692 0.3801 0.053 Uiso 0.507(16) 1 calc R U P B 2
C42' C 0.0298(11) 0.6170(8) 0.2505(16) 0.041(5) Uiso 0.507(16) 1 d . . P B 2
H42D H -0.0164 0.6150 0.2020 0.061 Uiso 0.507(16) 1 calc R U P B 2
H42E H 0.0775 0.6140 0.2055 0.061 Uiso 0.507(16) 1 calc R U P B 2
H42F H 0.0298 0.6533 0.2903 0.061 Uiso 0.507(16) 1 calc R U P B 2
C43' C 0.0930(15) 0.6249(10) 0.512(2) 0.063(7) Uiso 0.507(16) 1 d . . P B 2
H43C H 0.0593 0.6465 0.4601 0.075 Uiso 0.507(16) 1 calc R U P B 2
H43D H 0.0578 0.6124 0.5729 0.075 Uiso 0.507(16) 1 calc R U P B 2
C44' C 0.1441(11) 0.6685(8) 0.5638(16) 0.035(4) Uiso 0.507(16) 1 d . . P B 2
H44D H 0.1115 0.6970 0.6011 0.052 Uiso 0.507(16) 1 calc R U P B 2
H44E H 0.1758 0.6869 0.5063 0.052 Uiso 0.507(16) 1 calc R U P B 2
H44F H 0.1788 0.6503 0.6182 0.052 Uiso 0.507(16) 1 calc R U P B 2
C45 C 0.0836(5) 0.4983(4) 0.5009(8) 0.042(2) Uani 1 1 d . . . . .
H45A H 0.0308 0.5041 0.5333 0.050 Uiso 1 1 calc R U . . .
H45B H 0.0785 0.4699 0.4407 0.050 Uiso 1 1 calc R U . . .
C46 C 0.1369(5) 0.4745(4) 0.5892(7) 0.042(2) Uani 1 1 d . . . . .
H46A H 0.1153 0.4385 0.6166 0.062 Uiso 1 1 calc R U . . .
H46B H 0.1408 0.5016 0.6507 0.062 Uiso 1 1 calc R U . . .
H46C H 0.1892 0.4679 0.5578 0.062 Uiso 1 1 calc R U . . .
C51 C 0.3599(4) 0.4606(3) 0.6076(7) 0.0247(16) Uani 1 1 d . . . . .
H51A H 0.3142 0.4382 0.6333 0.030 Uiso 1 1 calc R U . . .
H51B H 0.4052 0.4507 0.6553 0.030 Uiso 1 1 calc R U . . .
C52 C 0.3416(4) 0.5244(3) 0.6208(8) 0.0274(15) Uani 1 1 d . . . . .
H52A H 0.3299 0.5326 0.6988 0.041 Uiso 1 1 calc R U . . .
H52B H 0.2961 0.5343 0.5749 0.041 Uiso 1 1 calc R U . . .
H52C H 0.3871 0.5468 0.5972 0.041 Uiso 1 1 calc R U . . .
C53 C 0.4218(4) 0.3694(3) 0.4806(7) 0.0232(16) Uani 1 1 d . . . . .
H53A H 0.4475 0.3580 0.4104 0.028 Uiso 1 1 calc R U . . .
H53B H 0.4625 0.3700 0.5393 0.028 Uiso 1 1 calc R U . . .
C54 C 0.3604(5) 0.3252(4) 0.5105(8) 0.033(2) Uani 1 1 d . . . . .
H54A H 0.3855 0.2880 0.5177 0.050 Uiso 1 1 calc R U . . .
H54B H 0.3204 0.3237 0.4520 0.050 Uiso 1 1 calc R U . . .
H54C H 0.3356 0.3355 0.5811 0.050 Uiso 1 1 calc R U . . .
C55 C 0.4658(4) 0.4852(3) 0.4314(6) 0.0233(16) Uani 1 1 d . . . . .
H55A H 0.4471 0.5242 0.4161 0.028 Uiso 1 1 calc R U . . .
H55B H 0.5010 0.4868 0.4967 0.028 Uiso 1 1 calc R U . . .
C56 C 0.5132(4) 0.4637(4) 0.3299(6) 0.0290(18) Uani 1 1 d . . . . .
H56A H 0.5572 0.4896 0.3157 0.043 Uiso 1 1 calc R U . . .
H56B H 0.4790 0.4624 0.2646 0.043 Uiso 1 1 calc R U . . .
H56C H 0.5335 0.4255 0.3453 0.043 Uiso 1 1 calc R U . . .


_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 N1 2.048(6) . ?
Au1 P1 2.2450(19) . ?
Au1 Au2 3.0516(4) . ?
Au1 Au4 3.0543(4) . ?
Au2 N4 2.042(6) . ?
Au2 P2 2.2505(19) . ?
Au2 Au3 3.1318(4) . ?
Au3 C1 2.060(7) . ?
Au3 P3 2.2962(17) . ?
Au3 Au4 3.0334(4) . ?
Au4 C11 2.055(6) . ?
Au4 P4 2.300(2) . ?
P1 C21' 1.818(19) . ?
P1 C23 1.822(8) . ?
P1 C25 1.833(8) . ?
P1 C21 1.834(13) . ?
P2 C33 1.821(7) . ?
P2 C31 1.822(8) . ?
P2 C35 1.823(8) . ?
P3 C55 1.805(8) . ?
P3 C53 1.822(8) . ?
P3 C51 1.826(8) . ?
P4 C41 1.71(3) . ?
P4 C43' 1.72(2) . ?
P4 C45 1.781(10) . ?
P4 C43 1.869(17) . ?
P4 C41' 1.97(2) . ?
N1 C1 1.361(9) . ?
N1 N2 1.364(8) . ?
N2 N3 1.299(8) . ?
N3 C2 1.383(9) . ?
N4 N5 1.367(8) . ?
N4 C11 1.373(8) . ?
N5 N6 1.312(8) . ?
N6 C12 1.365(9) . ?
C1 C2 1.38(1) . ?
C2 C3 1.47(1) . ?
C3 C4 1.399(11) . ?
C3 C8 1.407(9) . ?
C4 C5 1.393(11) . ?
C4 H4A 0.9500 . ?
C5 C6 1.381(11) . ?
C5 H5A 0.9500 . ?
C6 C7 1.385(11) . ?
C6 H6A 0.9500 . ?
C7 C8 1.371(11) . ?
C7 H7A 0.9500 . ?
C8 H8A 0.9500 . ?
C11 C12 1.398(9) . ?
C12 C13 1.462(10) . ?
C13 C18 1.383(11) . ?
C13 C14 1.393(10) . ?
C14 C15 1.376(11) . ?
C14 H14A 0.9500 . ?
C15 C16 1.378(12) . ?
C15 H15A 0.9500 . ?
C16 C17 1.356(12) . ?
C16 H16A 0.9500 . ?
C17 C18 1.398(11) . ?
C17 H17A 0.9500 . ?
C18 H18A 0.9500 . ?
C21 C22 1.522(19) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C21' C22' 1.47(3) . ?
C21' H21C 0.9900 . ?
C21' H21D 0.9900 . ?
C22' H22D 0.9800 . ?
C22' H22E 0.9800 . ?
C22' H22F 0.9800 . ?
C23 C24 1.521(12) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.518(11) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C31 C32 1.508(11) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.526(10) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.519(13) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C41 C42 1.45(3) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.73(3) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C41' C42' 1.58(3) . ?
C41' H41C 0.9900 . ?
C41' H41D 0.9900 . ?
C42' H42D 0.9800 . ?
C42' H42E 0.9800 . ?
C42' H42F 0.9800 . ?
C43' C44' 1.48(3) . ?
C43' H43C 0.9900 . ?
C43' H43D 0.9900 . ?
C44' H44D 0.9800 . ?
C44' H44E 0.9800 . ?
C44' H44F 0.9800 . ?
C45 C46 1.506(13) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C51 C52 1.542(10) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C54 1.518(11) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 C56 1.55(1) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 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
N1 Au1 P1 169.92(17) . . ?
N1 Au1 Au2 82.77(16) . . ?
P1 Au1 Au2 102.67(5) . . ?
N1 Au1 Au4 85.73(16) . . ?
P1 Au1 Au4 103.39(5) . . ?
Au2 Au1 Au4 81.196(9) . . ?
N4 Au2 P2 174.66(17) . . ?
N4 Au2 Au1 79.38(16) . . ?
P2 Au2 Au1 104.42(5) . . ?
N4 Au2 Au3 86.57(16) . . ?
P2 Au2 Au3 97.78(5) . . ?
Au1 Au2 Au3 79.118(9) . . ?
C1 Au3 P3 170.5(2) . . ?
C1 Au3 Au4 87.22(19) . . ?
P3 Au3 Au4 99.95(5) . . ?
C1 Au3 Au2 84.79(19) . . ?
P3 Au3 Au2 102.46(5) . . ?
Au4 Au3 Au2 80.237(9) . . ?
C11 Au4 P4 171.1(2) . . ?
C11 Au4 Au3 88.88(19) . . ?
P4 Au4 Au3 99.44(5) . . ?
C11 Au4 Au1 82.84(18) . . ?
P4 Au4 Au1 101.49(7) . . ?
Au3 Au4 Au1 80.624(9) . . ?
C21' P1 C23 100.1(8) . . ?
C21' P1 C25 113.6(10) . . ?
C23 P1 C25 106.0(4) . . ?
C23 P1 C21 108.9(5) . . ?
C25 P1 C21 98.1(7) . . ?
C21' P1 Au1 114.5(7) . . ?
C23 P1 Au1 110.2(3) . . ?
C25 P1 Au1 111.5(3) . . ?
C21 P1 Au1 120.8(4) . . ?
C33 P2 C31 105.3(4) . . ?
C33 P2 C35 105.7(4) . . ?
C31 P2 C35 103.4(4) . . ?
C33 P2 Au2 112.9(3) . . ?
C31 P2 Au2 114.2(3) . . ?
C35 P2 Au2 114.4(3) . . ?
C55 P3 C53 105.5(3) . . ?
C55 P3 C51 103.1(3) . . ?
C53 P3 C51 102.1(4) . . ?
C55 P3 Au3 119.8(2) . . ?
C53 P3 Au3 111.2(2) . . ?
C51 P3 Au3 113.2(2) . . ?
C41 P4 C45 106.5(10) . . ?
C43' P4 C45 117.3(9) . . ?
C41 P4 C43 99.6(11) . . ?
C45 P4 C43 100.3(6) . . ?
C43' P4 C41' 96.5(11) . . ?
C45 P4 C41' 92.6(7) . . ?
C41 P4 Au4 119.4(9) . . ?
C43' P4 Au4 113.7(8) . . ?
C45 P4 Au4 119.3(3) . . ?
C43 P4 Au4 108.3(6) . . ?
C41' P4 Au4 112.2(6) . . ?
C1 N1 N2 110.1(6) . . ?
C1 N1 Au1 133.4(5) . . ?
N2 N1 Au1 116.4(4) . . ?
N3 N2 N1 108.6(6) . . ?
N2 N3 C2 108.1(6) . . ?
N5 N4 C11 109.3(6) . . ?
N5 N4 Au2 117.3(4) . . ?
C11 N4 Au2 133.4(5) . . ?
N6 N5 N4 108.7(5) . . ?
N5 N6 C12 108.9(6) . . ?
N1 C1 C2 104.3(6) . . ?
N1 C1 Au3 124.3(5) . . ?
C2 C1 Au3 131.3(5) . . ?
C1 C2 N3 108.8(6) . . ?
C1 C2 C3 132.6(7) . . ?
N3 C2 C3 118.3(6) . . ?
C4 C3 C8 117.8(7) . . ?
C4 C3 C2 121.5(6) . . ?
C8 C3 C2 120.6(7) . . ?
C5 C4 C3 121.0(7) . . ?
C5 C4 H4A 119.5 . . ?
C3 C4 H4A 119.5 . . ?
C6 C5 C4 120.3(8) . . ?
C6 C5 H5A 119.9 . . ?
C4 C5 H5A 119.9 . . ?
C5 C6 C7 118.8(7) . . ?
C5 C6 H6A 120.6 . . ?
C7 C6 H6A 120.6 . . ?
C8 C7 C6 121.9(8) . . ?
C8 C7 H7A 119.1 . . ?
C6 C7 H7A 119.1 . . ?
C7 C8 C3 120.2(7) . . ?
C7 C8 H8A 119.9 . . ?
C3 C8 H8A 119.9 . . ?
N4 C11 C12 104.6(6) . . ?
N4 C11 Au4 125.3(5) . . ?
C12 C11 Au4 129.5(5) . . ?
N6 C12 C11 108.5(6) . . ?
N6 C12 C13 120.6(6) . . ?
C11 C12 C13 130.9(6) . . ?
C18 C13 C14 117.5(7) . . ?
C18 C13 C12 121.9(6) . . ?
C14 C13 C12 120.6(7) . . ?
C15 C14 C13 121.0(8) . . ?
C15 C14 H14A 119.5 . . ?
C13 C14 H14A 119.5 . . ?
C14 C15 C16 120.9(8) . . ?
C14 C15 H15A 119.5 . . ?
C16 C15 H15A 119.5 . . ?
C17 C16 C15 119.0(8) . . ?
C17 C16 H16A 120.5 . . ?
C15 C16 H16A 120.5 . . ?
C16 C17 C18 120.7(8) . . ?
C16 C17 H17A 119.6 . . ?
C18 C17 H17A 119.6 . . ?
C13 C18 C17 120.9(7) . . ?
C13 C18 H18A 119.6 . . ?
C17 C18 H18A 119.6 . . ?
C22 C21 P1 113.2(10) . . ?
C22 C21 H21A 108.9 . . ?
P1 C21 H21A 108.9 . . ?
C22 C21 H21B 108.9 . . ?
P1 C21 H21B 108.9 . . ?
H21A C21 H21B 107.8 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C22' C21' P1 118.4(15) . . ?
C22' C21' H21C 107.7 . . ?
P1 C21' H21C 107.7 . . ?
C22' C21' H21D 107.7 . . ?
P1 C21' H21D 107.7 . . ?
H21C C21' H21D 107.1 . . ?
C21' C22' H22D 109.5 . . ?
C21' C22' H22E 109.5 . . ?
H22D C22' H22E 109.5 . . ?
C21' C22' H22F 109.5 . . ?
H22D C22' H22F 109.5 . . ?
H22E C22' H22F 109.5 . . ?
C24 C23 P1 111.0(5) . . ?
C24 C23 H23A 109.4 . . ?
P1 C23 H23A 109.4 . . ?
C24 C23 H23B 109.4 . . ?
P1 C23 H23B 109.4 . . ?
H23A C23 H23B 108.0 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 P1 116.0(6) . . ?
C26 C25 H25A 108.3 . . ?
P1 C25 H25A 108.3 . . ?
C26 C25 H25B 108.3 . . ?
P1 C25 H25B 108.3 . . ?
H25A C25 H25B 107.4 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C32 C31 P2 114.0(6) . . ?
C32 C31 H31A 108.7 . . ?
P2 C31 H31A 108.7 . . ?
C32 C31 H31B 108.7 . . ?
P2 C31 H31B 108.7 . . ?
H31A C31 H31B 107.6 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 P2 115.1(5) . . ?
C34 C33 H33A 108.5 . . ?
P2 C33 H33A 108.5 . . ?
C34 C33 H33B 108.5 . . ?
P2 C33 H33B 108.5 . . ?
H33A C33 H33B 107.5 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 P2 113.5(7) . . ?
C36 C35 H35A 108.9 . . ?
P2 C35 H35A 108.9 . . ?
C36 C35 H35B 108.9 . . ?
P2 C35 H35B 108.9 . . ?
H35A C35 H35B 107.7 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C42 C41 P4 115(2) . . ?
C42 C41 H41A 108.6 . . ?
P4 C41 H41A 108.6 . . ?
C42 C41 H41B 108.6 . . ?
P4 C41 H41B 108.6 . . ?
H41A C41 H41B 107.6 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C44 C43 P4 100.4(12) . . ?
C44 C43 H43A 111.7 . . ?
P4 C43 H43A 111.7 . . ?
C44 C43 H43B 111.7 . . ?
P4 C43 H43B 111.7 . . ?
H43A C43 H43B 109.5 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C42' C41' P4 115.1(14) . . ?
C42' C41' H41C 108.5 . . ?
P4 C41' H41C 108.5 . . ?
C42' C41' H41D 108.5 . . ?
P4 C41' H41D 108.5 . . ?
H41C C41' H41D 107.5 . . ?
C41' C42' H42D 109.5 . . ?
C41' C42' H42E 109.5 . . ?
H42D C42' H42E 109.5 . . ?
C41' C42' H42F 109.5 . . ?
H42D C42' H42F 109.5 . . ?
H42E C42' H42F 109.5 . . ?
C44' C43' P4 130.8(18) . . ?
C44' C43' H43C 104.6 . . ?
P4 C43' H43C 104.6 . . ?
C44' C43' H43D 104.6 . . ?
P4 C43' H43D 104.6 . . ?
H43C C43' H43D 105.7 . . ?
C43' C44' H44D 109.5 . . ?
C43' C44' H44E 109.5 . . ?
H44D C44' H44E 109.5 . . ?
C43' C44' H44F 109.5 . . ?
H44D C44' H44F 109.5 . . ?
H44E C44' H44F 109.5 . . ?
C46 C45 P4 114.5(7) . . ?
C46 C45 H45A 108.6 . . ?
P4 C45 H45A 108.6 . . ?
C46 C45 H45B 108.6 . . ?
P4 C45 H45B 108.6 . . ?
H45A C45 H45B 107.6 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C52 C51 P3 112.8(6) . . ?
C52 C51 H51A 109.0 . . ?
P3 C51 H51A 109.0 . . ?
C52 C51 H51B 109.0 . . ?
P3 C51 H51B 109.0 . . ?
H51A C51 H51B 107.8 . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C54 C53 P3 113.9(5) . . ?
C54 C53 H53A 108.8 . . ?
P3 C53 H53A 108.8 . . ?
C54 C53 H53B 108.8 . . ?
P3 C53 H53B 108.8 . . ?
H53A C53 H53B 107.7 . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C56 C55 P3 113.3(5) . . ?
C56 C55 H55A 108.9 . . ?
P3 C55 H55A 108.9 . . ?
C56 C55 H55B 108.9 . . ?
P3 C55 H55B 108.9 . . ?
H55A C55 H55B 107.7 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?

_refine_diff_density_max         1.519
_refine_diff_density_min         -0.829
_refine_diff_density_rms         0.127

_shelxl_version_number           2013-3

