# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_121222-4a
_database_code_depnum_ccdc_archive 'CCDC 1457795'
_audit_update_record             
;
2016-05-21 deposited with the CCDC.
2016-06-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H54 N6 P3 Sb'
_chemical_formula_weight         713.45

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'
Sb Sb -0.5866 1.5461 '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                   10.0959(5)
_cell_length_b                   11.0582(4)
_cell_length_c                   17.7867(6)
_cell_angle_alpha                81.355(3)
_cell_angle_beta                 76.325(3)
_cell_angle_gamma                79.091(4)
_cell_volume                     1882.96(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    5455
_cell_measurement_theta_min      2.6214
_cell_measurement_theta_max      29.0299

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.258
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             744
_exptl_absorpt_coefficient_mu    0.887
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.88318
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         15408
_diffrn_standards_interval_count -0.3
_diffrn_standards_interval_time  25
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13437
_diffrn_reflns_av_R_equivalents  0.0400
_diffrn_reflns_av_unetI/netI     0.0656
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.63
_diffrn_reflns_theta_max         25.50
_reflns_number_total             7003
_reflns_number_gt                5783
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker FRAMBO'
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_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)+(0.0258P)²+0.0000P] 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         7003
_refine_ls_number_parameters     410
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0544
_refine_ls_R_factor_gt           0.0395
_refine_ls_wR_factor_ref         0.0782
_refine_ls_wR_factor_gt          0.0712
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.052
_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
C1 C 0.6574(4) 0.4814(4) 0.5922(2) 0.0797(14) Uani 1 1 d . . .
H1A H 0.6014 0.5466 0.6210 0.120 Uiso 1 1 calc R . .
H1B H 0.5991 0.4298 0.5814 0.120 Uiso 1 1 calc R . .
H1C H 0.7090 0.5167 0.5441 0.120 Uiso 1 1 calc R . .
C2 C 0.7572(4) 0.4033(4) 0.6402(2) 0.0564(10) Uani 1 1 d . . .
C3 C 0.8420(5) 0.2996(4) 0.5923(3) 0.0941(16) Uani 1 1 d . . .
H3A H 0.8946 0.3353 0.5446 0.141 Uiso 1 1 calc R . .
H3B H 0.7808 0.2518 0.5806 0.141 Uiso 1 1 calc R . .
H3C H 0.9035 0.2469 0.6216 0.141 Uiso 1 1 calc R . .
C4 C 0.6754(5) 0.3438(4) 0.7161(2) 0.0832(14) Uani 1 1 d . . .
H4A H 0.7382 0.2910 0.7445 0.125 Uiso 1 1 calc R . .
H4B H 0.6147 0.2957 0.7042 0.125 Uiso 1 1 calc R . .
H4C H 0.6220 0.4075 0.7470 0.125 Uiso 1 1 calc R . .
C5 C 0.8545(3) 0.4798(3) 0.65745(19) 0.0440(8) Uani 1 1 d . A .
C6 C 1.0357(3) 0.5727(3) 0.68322(18) 0.0421(8) Uani 1 1 d . A .
C7 C 1.1647(4) 0.6113(4) 0.6965(2) 0.0498(10) Uani 1 1 d . . .
C8 C 1.1314(9) 0.7280(11) 0.7395(9) 0.098(6) Uani 0.581(17) 1 d P A 1
H8A H 1.2156 0.7493 0.7460 0.147 Uiso 0.581(17) 1 calc PR A 1
H8B H 1.0726 0.7119 0.7896 0.147 Uiso 0.581(17) 1 calc PR A 1
H8C H 1.0852 0.7955 0.7096 0.147 Uiso 0.581(17) 1 calc PR A 1
C9 C 1.2420(11) 0.5066(10) 0.7413(8) 0.095(6) Uani 0.581(17) 1 d P A 1
H9A H 1.2749 0.4383 0.7106 0.143 Uiso 0.581(17) 1 calc PR A 1
H9B H 1.1815 0.4806 0.7889 0.143 Uiso 0.581(17) 1 calc PR A 1
H9C H 1.3189 0.5338 0.7529 0.143 Uiso 0.581(17) 1 calc PR A 1
C10 C 1.2607(10) 0.6428(13) 0.6163(5) 0.085(5) Uani 0.581(17) 1 d P A 1
H10A H 1.2101 0.7039 0.5849 0.128 Uiso 0.581(17) 1 calc PR A 1
H10B H 1.2936 0.5692 0.5905 0.128 Uiso 0.581(17) 1 calc PR A 1
H10C H 1.3379 0.6749 0.6242 0.128 Uiso 0.581(17) 1 calc PR A 1
C11 C 0.7919(4) 0.9307(4) 0.7958(2) 0.0721(12) Uani 1 1 d . . .
H11A H 0.8746 0.8827 0.7694 0.108 Uiso 1 1 calc R . .
H11B H 0.8061 1.0148 0.7932 0.108 Uiso 1 1 calc R . .
H11C H 0.7172 0.9288 0.7714 0.108 Uiso 1 1 calc R . .
C12 C 0.7565(4) 0.8764(3) 0.8810(2) 0.0489(9) Uani 1 1 d . . .
C13 C 0.8645(5) 0.8995(4) 0.9227(3) 0.0906(16) Uani 1 1 d . . .
H13A H 0.8412 0.8682 0.9767 0.136 Uiso 1 1 calc R . .
H13B H 0.8660 0.9868 0.9181 0.136 Uiso 1 1 calc R . .
H13C H 0.9538 0.8578 0.8993 0.136 Uiso 1 1 calc R . .
C14 C 0.6159(5) 0.9418(4) 0.9196(3) 0.0974(16) Uani 1 1 d . . .
H14A H 0.5470 0.9281 0.8942 0.146 Uiso 1 1 calc R . .
H14B H 0.6176 1.0291 0.9155 0.146 Uiso 1 1 calc R . .
H14C H 0.5943 0.9096 0.9735 0.146 Uiso 1 1 calc R . .
C15 C 0.7498(3) 0.7396(3) 0.89064(18) 0.0413(8) Uani 1 1 d . . .
C16 C 0.7425(4) 0.5194(3) 0.9286(2) 0.0487(9) Uani 1 1 d . . .
C17 C 0.7530(5) 0.3827(4) 0.9583(2) 0.0673(12) Uani 1 1 d . . .
C18 C 0.7600(6) 0.3674(5) 1.0450(3) 0.130(2) Uani 1 1 d . . .
H18A H 0.8342 0.4057 1.0508 0.196 Uiso 1 1 calc R . .
H18B H 0.7757 0.2809 1.0635 0.196 Uiso 1 1 calc R . .
H18C H 0.6744 0.4062 1.0747 0.196 Uiso 1 1 calc R . .
C19 C 0.8863(5) 0.3142(5) 0.9119(3) 0.115(2) Uani 1 1 d . . .
H19A H 0.8793 0.3180 0.8586 0.172 Uiso 1 1 calc R . .
H19B H 0.9004 0.2292 0.9338 0.172 Uiso 1 1 calc R . .
H19C H 0.9629 0.3526 0.9140 0.172 Uiso 1 1 calc R . .
C20 C 0.6287(5) 0.3296(4) 0.9507(3) 0.0868(15) Uani 1 1 d . . .
H20A H 0.5458 0.3746 0.9791 0.130 Uiso 1 1 calc R . .
H20B H 0.6373 0.2438 0.9715 0.130 Uiso 1 1 calc R . .
H20C H 0.6247 0.3368 0.8968 0.130 Uiso 1 1 calc R . .
C21 C 0.3313(5) 1.1694(4) 0.8129(3) 0.0904(15) Uani 1 1 d . . .
H21A H 0.4058 1.1421 0.8395 0.136 Uiso 1 1 calc R . .
H21B H 0.2514 1.2060 0.8481 0.136 Uiso 1 1 calc R . .
H21C H 0.3580 1.2297 0.7698 0.136 Uiso 1 1 calc R . .
C22 C 0.2974(4) 1.0583(4) 0.7828(2) 0.0548(10) Uani 1 1 d . . .
C23 C 0.2465(4) 0.9675(4) 0.8528(2) 0.0711(12) Uani 1 1 d . . .
H23A H 0.2264 0.8967 0.8349 0.107 Uiso 1 1 calc R . .
H23B H 0.1643 1.0076 0.8848 0.107 Uiso 1 1 calc R . .
H23C H 0.3167 0.9414 0.8826 0.107 Uiso 1 1 calc R . .
C24 C 0.1825(4) 1.1010(5) 0.7371(3) 0.0962(17) Uani 1 1 d . . .
H24A H 0.2130 1.1584 0.6931 0.144 Uiso 1 1 calc R . .
H24B H 0.1016 1.1407 0.7702 0.144 Uiso 1 1 calc R . .
H24C H 0.1611 1.0305 0.7194 0.144 Uiso 1 1 calc R . .
C25 C 0.4255(3) 0.9993(3) 0.72910(19) 0.0445(9) Uani 1 1 d . . .
C26 C 0.6261(3) 0.9337(3) 0.62774(18) 0.0392(8) Uani 1 1 d . . .
C27 C 0.7451(3) 0.9094(3) 0.55858(18) 0.0460(9) Uani 1 1 d . . .
C28 C 0.8826(3) 0.9039(4) 0.5829(2) 0.0598(11) Uani 1 1 d . . .
H28A H 0.8844 0.9813 0.6006 0.090 Uiso 1 1 calc R . .
H28B H 0.9577 0.8888 0.5391 0.090 Uiso 1 1 calc R . .
H28C H 0.8915 0.8381 0.6242 0.090 Uiso 1 1 calc R . .
C29 C 0.7410(4) 0.7885(4) 0.5282(2) 0.0667(11) Uani 1 1 d . . .
H29A H 0.7608 0.7200 0.5661 0.100 Uiso 1 1 calc R . .
H29B H 0.8087 0.7796 0.4805 0.100 Uiso 1 1 calc R . .
H29C H 0.6509 0.7899 0.5188 0.100 Uiso 1 1 calc R . .
C30 C 0.7326(4) 1.0160(4) 0.49312(19) 0.0608(11) Uani 1 1 d . . .
H30A H 0.6460 1.0221 0.4782 0.091 Uiso 1 1 calc R . .
H30B H 0.8070 1.0002 0.4490 0.091 Uiso 1 1 calc R . .
H30C H 0.7371 1.0924 0.5112 0.091 Uiso 1 1 calc R . .
C8' C 1.2897(11) 0.5197(18) 0.6596(12) 0.116(10) Uani 0.419(17) 1 d P A 2
H8'1 H 1.3054 0.5359 0.6039 0.174 Uiso 0.419(17) 1 calc PR A 2
H8'2 H 1.2716 0.4365 0.6754 0.174 Uiso 0.419(17) 1 calc PR A 2
H8'3 H 1.3701 0.5297 0.6766 0.174 Uiso 0.419(17) 1 calc PR A 2
C9' C 1.1773(17) 0.7358(16) 0.6611(14) 0.128(12) Uani 0.419(17) 1 d P A 2
H9'1 H 1.2615 0.7569 0.6679 0.191 Uiso 0.419(17) 1 calc PR A 2
H9'2 H 1.1002 0.7923 0.6854 0.191 Uiso 0.419(17) 1 calc PR A 2
H9'3 H 1.1788 0.7412 0.6066 0.191 Uiso 0.419(17) 1 calc PR A 2
C10' C 1.1568(15) 0.591(2) 0.7826(7) 0.117(11) Uani 0.419(17) 1 d P A 2
H10D H 1.2432 0.6003 0.7929 0.175 Uiso 0.419(17) 1 calc PR A 2
H10E H 1.1379 0.5087 0.8022 0.175 Uiso 0.419(17) 1 calc PR A 2
H10F H 1.0842 0.6503 0.8078 0.175 Uiso 0.419(17) 1 calc PR A 2
N1 N 0.6857(3) 0.6872(3) 0.84820(14) 0.0402(7) Uani 1 1 d . A .
N2 N 0.6824(3) 0.5619(3) 0.86971(15) 0.0441(7) Uani 1 1 d . A .
N3 N 0.8108(3) 0.5833(2) 0.69464(14) 0.0373(6) Uani 1 1 d . A .
N4 N 0.9136(3) 0.6362(2) 0.70984(14) 0.0385(7) Uani 1 1 d . . .
N5 N 0.5955(3) 0.8462(2) 0.68891(15) 0.0416(7) Uani 1 1 d . A .
N6 N 0.4812(3) 0.8827(3) 0.74503(15) 0.0435(7) Uani 1 1 d . A .
P1 P 1.03322(11) 0.44354(11) 0.63670(6) 0.0616(3) Uani 1 1 d . . .
P2 P 0.80746(11) 0.63170(11) 0.96272(6) 0.0609(3) Uani 1 1 d . . .
P3 P 0.51171(10) 1.07142(9) 0.64036(6) 0.0515(3) Uani 1 1 d . . .
Sb1 Sb 0.61175(2) 0.66489(2) 0.751189(12) 0.03618(8) Uani 1 1 d . . .


_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
C1 C2 1.532(5) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C5 1.520(5) . ?
C2 C4 1.532(5) . ?
C2 C3 1.534(5) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 N3 1.357(4) . ?
C5 P1 1.734(3) . ?
C6 N4 1.317(4) . ?
C6 C7 1.523(4) . ?
C6 P1 1.761(4) . ?
C7 C9' 1.441(14) . ?
C7 C10' 1.500(12) . ?
C7 C9 1.503(8) . ?
C7 C8' 1.540(13) . ?
C7 C8 1.541(9) . ?
C7 C10 1.555(9) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.528(5) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C15 1.509(5) . ?
C12 C14 1.520(5) . ?
C12 C13 1.532(5) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 N1 1.353(4) . ?
C15 P2 1.743(3) . ?
C16 N2 1.315(4) . ?
C16 C17 1.517(5) . ?
C16 P2 1.751(4) . ?
C17 C20 1.523(5) . ?
C17 C19 1.531(6) . ?
C17 C18 1.544(6) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C22 1.536(6) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 C25 1.515(5) . ?
C22 C23 1.529(5) . ?
C22 C24 1.533(5) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 N6 1.323(4) . ?
C25 P3 1.766(3) . ?
C26 N5 1.361(4) . ?
C26 C27 1.519(4) . ?
C26 P3 1.737(4) . ?
C27 C29 1.526(5) . ?
C27 C28 1.536(4) . ?
C27 C30 1.537(4) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C8' H8'1 0.9600 . ?
C8' H8'2 0.9600 . ?
C8' H8'3 0.9600 . ?
C9' H9'1 0.9600 . ?
C9' H9'2 0.9600 . ?
C9' H9'3 0.9600 . ?
C10' H10D 0.9600 . ?
C10' H10E 0.9600 . ?
C10' H10F 0.9600 . ?
N1 N2 1.385(4) . ?
N1 Sb1 2.098(3) . ?
N2 Sb1 2.436(3) . ?
N3 N4 1.379(3) . ?
N3 Sb1 2.120(3) . ?
N5 N6 1.375(3) . ?
N5 Sb1 2.137(3) . ?
N6 Sb1 2.517(3) . ?

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 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C5 C2 C4 110.5(3) . . ?
C5 C2 C1 111.8(3) . . ?
C4 C2 C1 109.7(3) . . ?
C5 C2 C3 109.1(3) . . ?
C4 C2 C3 108.3(4) . . ?
C1 C2 C3 107.3(3) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N3 C5 C2 123.5(3) . . ?
N3 C5 P1 111.4(2) . . ?
C2 C5 P1 125.1(3) . . ?
N4 C6 C7 119.5(3) . . ?
N4 C6 P1 115.1(2) . . ?
C7 C6 P1 125.3(3) . . ?
C9' C7 C10' 115.0(11) . . ?
C9' C7 C9 139.1(6) . . ?
C10' C7 C9 52.3(7) . . ?
C9' C7 C6 110.8(5) . . ?
C10' C7 C6 106.7(5) . . ?
C9 C7 C6 110.1(4) . . ?
C9' C7 C8' 110.1(11) . . ?
C10' C7 C8' 106.5(10) . . ?
C9 C7 C8' 55.3(7) . . ?
C6 C7 C8' 107.3(5) . . ?
C9' C7 C8 54.0(9) . . ?
C10' C7 C8 63.4(8) . . ?
C9 C7 C8 109.8(7) . . ?
C6 C7 C8 112.4(4) . . ?
C8' C7 C8 140.2(6) . . ?
C9' C7 C10 56.2(9) . . ?
C10' C7 C10 143.7(6) . . ?
C9 C7 C10 108.3(7) . . ?
C6 C7 C10 109.1(4) . . ?
C8' C7 C10 56.9(7) . . ?
C8 C7 C10 107.0(7) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C15 C12 C14 107.5(3) . . ?
C15 C12 C11 113.1(3) . . ?
C14 C12 C11 109.1(3) . . ?
C15 C12 C13 109.6(3) . . ?
C14 C12 C13 108.5(3) . . ?
C11 C12 C13 108.9(3) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N1 C15 C12 123.5(3) . . ?
N1 C15 P2 111.0(3) . . ?
C12 C15 P2 125.2(3) . . ?
N2 C16 C17 119.1(3) . . ?
N2 C16 P2 114.0(3) . . ?
C17 C16 P2 126.9(3) . . ?
C16 C17 C20 111.7(3) . . ?
C16 C17 C19 108.2(3) . . ?
C20 C17 C19 110.4(4) . . ?
C16 C17 C18 108.3(4) . . ?
C20 C17 C18 108.8(4) . . ?
C19 C17 C18 109.3(4) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C22 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C25 C22 C23 111.9(3) . . ?
C25 C22 C24 108.8(3) . . ?
C23 C22 C24 108.6(3) . . ?
C25 C22 C21 108.9(3) . . ?
C23 C22 C21 108.4(3) . . ?
C24 C22 C21 110.3(4) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N6 C25 C22 120.9(3) . . ?
N6 C25 P3 113.3(3) . . ?
C22 C25 P3 125.7(3) . . ?
N5 C26 C27 122.8(3) . . ?
N5 C26 P3 111.0(2) . . ?
C27 C26 P3 126.2(2) . . ?
C26 C27 C29 110.2(3) . . ?
C26 C27 C28 109.5(3) . . ?
C29 C27 C28 110.6(3) . . ?
C26 C27 C30 109.3(3) . . ?
C29 C27 C30 108.7(3) . . ?
C28 C27 C30 108.4(3) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C7 C8' H8'1 109.5 . . ?
C7 C8' H8'2 109.5 . . ?
H8'1 C8' H8'2 109.5 . . ?
C7 C8' H8'3 109.5 . . ?
H8'1 C8' H8'3 109.5 . . ?
H8'2 C8' H8'3 109.5 . . ?
C7 C9' H9'1 109.5 . . ?
C7 C9' H9'2 109.5 . . ?
H9'1 C9' H9'2 109.5 . . ?
C7 C9' H9'3 109.5 . . ?
H9'1 C9' H9'3 109.5 . . ?
H9'2 C9' H9'3 109.5 . . ?
C7 C10' H10D 109.5 . . ?
C7 C10' H10E 109.5 . . ?
H10D C10' H10E 109.5 . . ?
C7 C10' H10F 109.5 . . ?
H10D C10' H10F 109.5 . . ?
H10E C10' H10F 109.5 . . ?
C15 N1 N2 114.6(3) . . ?
C15 N1 Sb1 157.2(2) . . ?
N2 N1 Sb1 86.17(17) . . ?
C16 N2 N1 111.8(3) . . ?
C16 N2 Sb1 167.9(2) . . ?
N1 N2 Sb1 59.26(14) . . ?
C5 N3 N4 115.5(3) . . ?
C5 N3 Sb1 131.8(2) . . ?
N4 N3 Sb1 111.86(19) . . ?
C6 N4 N3 110.4(3) . . ?
C26 N5 N6 115.0(3) . . ?
C26 N5 Sb1 155.8(2) . . ?
N6 N5 Sb1 88.82(17) . . ?
C25 N6 N5 112.1(3) . . ?
C25 N6 Sb1 169.9(2) . . ?
N5 N6 Sb1 58.08(15) . . ?
C5 P1 C6 87.64(16) . . ?
C15 P2 C16 88.53(16) . . ?
C26 P3 C25 88.61(16) . . ?
N1 Sb1 N3 91.54(10) . . ?
N1 Sb1 N5 103.52(10) . . ?
N3 Sb1 N5 101.11(10) . . ?
N1 Sb1 N2 34.57(9) . . ?
N3 Sb1 N2 84.39(9) . . ?
N5 Sb1 N2 138.08(10) . . ?
N1 Sb1 N6 92.57(10) . . ?
N3 Sb1 N6 133.25(9) . . ?
N5 Sb1 N6 33.10(8) . . ?
N2 Sb1 N6 121.45(9) . . ?

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
C4 C2 C5 N3 -65.3(5) . . . . ?
C1 C2 C5 N3 57.2(5) . . . . ?
C3 C2 C5 N3 175.6(3) . . . . ?
C4 C2 C5 P1 111.6(4) . . . . ?
C1 C2 C5 P1 -125.9(3) . . . . ?
C3 C2 C5 P1 -7.4(5) . . . . ?
N4 C6 C7 C9' -60.1(12) . . . . ?
P1 C6 C7 C9' 122.1(12) . . . . ?
N4 C6 C7 C10' 65.8(11) . . . . ?
P1 C6 C7 C10' -112.1(10) . . . . ?
N4 C6 C7 C9 121.0(7) . . . . ?
P1 C6 C7 C9 -56.8(7) . . . . ?
N4 C6 C7 C8' 179.6(9) . . . . ?
P1 C6 C7 C8' 1.8(10) . . . . ?
N4 C6 C7 C8 -1.7(8) . . . . ?
P1 C6 C7 C8 -179.6(7) . . . . ?
N4 C6 C7 C10 -120.3(6) . . . . ?
P1 C6 C7 C10 61.9(7) . . . . ?
C14 C12 C15 N1 76.0(4) . . . . ?
C11 C12 C15 N1 -44.5(5) . . . . ?
C13 C12 C15 N1 -166.3(3) . . . . ?
C14 C12 C15 P2 -97.5(4) . . . . ?
C11 C12 C15 P2 142.0(3) . . . . ?
C13 C12 C15 P2 20.2(4) . . . . ?
N2 C16 C17 C20 -33.5(5) . . . . ?
P2 C16 C17 C20 148.5(3) . . . . ?
N2 C16 C17 C19 88.2(4) . . . . ?
P2 C16 C17 C19 -89.7(4) . . . . ?
N2 C16 C17 C18 -153.4(4) . . . . ?
P2 C16 C17 C18 28.6(5) . . . . ?
C23 C22 C25 N6 -0.3(5) . . . . ?
C24 C22 C25 N6 -120.3(4) . . . . ?
C21 C22 C25 N6 119.5(4) . . . . ?
C23 C22 C25 P3 177.4(3) . . . . ?
C24 C22 C25 P3 57.5(4) . . . . ?
C21 C22 C25 P3 -62.7(4) . . . . ?
N5 C26 C27 C29 48.8(4) . . . . ?
P3 C26 C27 C29 -130.8(3) . . . . ?
N5 C26 C27 C28 -73.1(4) . . . . ?
P3 C26 C27 C28 107.3(3) . . . . ?
N5 C26 C27 C30 168.2(3) . . . . ?
P3 C26 C27 C30 -11.4(4) . . . . ?
C12 C15 N1 N2 -175.5(3) . . . . ?
P2 C15 N1 N2 -1.2(4) . . . . ?
C12 C15 N1 Sb1 30.2(8) . . . . ?
P2 C15 N1 Sb1 -155.5(5) . . . . ?
C17 C16 N2 N1 -177.9(3) . . . . ?
P2 C16 N2 N1 0.3(4) . . . . ?
C17 C16 N2 Sb1 -137.3(11) . . . . ?
P2 C16 N2 Sb1 40.9(13) . . . . ?
C15 N1 N2 C16 0.6(4) . . . . ?
Sb1 N1 N2 C16 170.9(2) . . . . ?
C15 N1 N2 Sb1 -170.3(3) . . . . ?
C2 C5 N3 N4 175.9(3) . . . . ?
P1 C5 N3 N4 -1.4(3) . . . . ?
C2 C5 N3 Sb1 7.6(5) . . . . ?
P1 C5 N3 Sb1 -169.68(15) . . . . ?
C7 C6 N4 N3 -177.5(3) . . . . ?
P1 C6 N4 N3 0.5(3) . . . . ?
C5 N3 N4 C6 0.6(4) . . . . ?
Sb1 N3 N4 C6 171.20(19) . . . . ?
C27 C26 N5 N6 -177.7(3) . . . . ?
P3 C26 N5 N6 1.9(3) . . . . ?
C27 C26 N5 Sb1 -8.5(7) . . . . ?
P3 C26 N5 Sb1 171.2(4) . . . . ?
C22 C25 N6 N5 179.2(3) . . . . ?
P3 C25 N6 N5 1.2(4) . . . . ?
C22 C25 N6 Sb1 167.9(12) . . . . ?
P3 C25 N6 Sb1 -10.1(15) . . . . ?
C26 N5 N6 C25 -2.1(4) . . . . ?
Sb1 N5 N6 C25 -177.7(2) . . . . ?
C26 N5 N6 Sb1 175.6(3) . . . . ?
N3 C5 P1 C6 1.3(2) . . . . ?
C2 C5 P1 C6 -175.9(3) . . . . ?
N4 C6 P1 C5 -1.1(3) . . . . ?
C7 C6 P1 C5 176.8(3) . . . . ?
N1 C15 P2 C16 1.1(2) . . . . ?
C12 C15 P2 C16 175.3(3) . . . . ?
N2 C16 P2 C15 -0.8(3) . . . . ?
C17 C16 P2 C15 177.2(4) . . . . ?
N5 C26 P3 C25 -1.0(2) . . . . ?
C27 C26 P3 C25 178.6(3) . . . . ?
N6 C25 P3 C26 -0.1(3) . . . . ?
C22 C25 P3 C26 -178.0(3) . . . . ?
C15 N1 Sb1 N3 78.9(6) . . . . ?
N2 N1 Sb1 N3 -77.81(17) . . . . ?
C15 N1 Sb1 N5 -22.9(6) . . . . ?
N2 N1 Sb1 N5 -179.62(16) . . . . ?
C15 N1 Sb1 N2 156.7(7) . . . . ?
C15 N1 Sb1 N6 -54.5(6) . . . . ?
N2 N1 Sb1 N6 148.77(17) . . . . ?
C5 N3 Sb1 N1 132.8(3) . . . . ?
N4 N3 Sb1 N1 -35.8(2) . . . . ?
C5 N3 Sb1 N5 -123.1(3) . . . . ?
N4 N3 Sb1 N5 68.3(2) . . . . ?
C5 N3 Sb1 N2 98.9(3) . . . . ?
N4 N3 Sb1 N2 -69.63(19) . . . . ?
C5 N3 Sb1 N6 -132.2(3) . . . . ?
N4 N3 Sb1 N6 59.2(2) . . . . ?
C26 N5 Sb1 N1 116.3(5) . . . . ?
N6 N5 Sb1 N1 -73.49(18) . . . . ?
C26 N5 Sb1 N3 21.9(6) . . . . ?
N6 N5 Sb1 N3 -167.81(17) . . . . ?
C26 N5 Sb1 N2 115.9(5) . . . . ?
N6 N5 Sb1 N2 -73.8(2) . . . . ?
C26 N5 Sb1 N6 -170.2(6) . . . . ?
C16 N2 Sb1 N1 -44.7(12) . . . . ?
C16 N2 Sb1 N3 56.3(12) . . . . ?
N1 N2 Sb1 N3 100.95(18) . . . . ?
C16 N2 Sb1 N5 -44.1(13) . . . . ?
N1 N2 Sb1 N5 0.6(2) . . . . ?
C16 N2 Sb1 N6 -82.0(12) . . . . ?
N1 N2 Sb1 N6 -37.4(2) . . . . ?
C25 N6 Sb1 N1 123.5(14) . . . . ?
N5 N6 Sb1 N1 111.07(18) . . . . ?
C25 N6 Sb1 N3 28.9(14) . . . . ?
N5 N6 Sb1 N3 16.5(2) . . . . ?
C25 N6 Sb1 N5 12.4(13) . . . . ?
C25 N6 Sb1 N2 143.7(13) . . . . ?
N5 N6 Sb1 N2 131.24(17) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.849
_refine_diff_density_min         -0.726
_refine_diff_density_rms         0.073
####################################################################### 
# 
# 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_121201-1a
_database_code_depnum_ccdc_archive 'CCDC 1457796'
_audit_update_record             
;
2016-05-21 deposited with the CCDC.
2016-06-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C14 H26 Li N2 O P'
_chemical_formula_weight         276.28

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'
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'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/m

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

_cell_length_a                   9.9007(11)
_cell_length_b                   18.4778(10)
_cell_length_c                   10.4804(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 114.866(12)
_cell_angle_gamma                90.00
_cell_volume                     1739.6(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    824
_cell_measurement_theta_min      3.0681
_cell_measurement_theta_max      28.9847

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.055
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             600
_exptl_absorpt_coefficient_mu    0.152
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.70177
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         4133
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            3558
_diffrn_reflns_av_R_equivalents  0.0265
_diffrn_reflns_av_unetI/netI     0.0374
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         25.50
_reflns_number_total             1670
_reflns_number_gt                1196
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker FRAMBO'
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_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)+(0.1158P)²+0.2091P] 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     SHELXL
_refine_ls_extinction_coef       0.020(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         1670
_refine_ls_number_parameters     94
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0892
_refine_ls_R_factor_gt           0.0633
_refine_ls_wR_factor_ref         0.1914
_refine_ls_wR_factor_gt          0.1727
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.000
_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
P1 P 0.0000 0.22737(5) 0.0000 0.0590(4) Uani 1 2 d S . .
N1 N 0.0610(2) 0.09218(11) 0.0644(2) 0.0546(6) Uani 1 1 d . . .
C5 C 0.1051(3) 0.15871(12) 0.1116(2) 0.0486(7) Uani 1 1 d . . .
O1 O 0.2643(4) 0.0000 -0.0573(3) 0.0781(9) Uani 1 2 d S . .
C4 C 0.2369(3) 0.16703(16) 0.2548(3) 0.0622(8) Uani 1 1 d . . .
C6 C 0.2662(6) 0.0628(2) -0.1364(4) 0.1033(13) Uani 1 1 d . . .
H6A H 0.1910 0.0970 -0.1389 0.124 Uiso 1 1 calc R . .
H6B H 0.3628 0.0862 -0.0942 0.124 Uiso 1 1 calc R . .
C2 C 0.2789(5) 0.2477(2) 0.2833(5) 0.1121(15) Uani 1 1 d . . .
H2A H 0.1969 0.2740 0.2866 0.168 Uiso 1 1 calc R . .
H2B H 0.3016 0.2667 0.2093 0.168 Uiso 1 1 calc R . .
H2C H 0.3643 0.2525 0.3716 0.168 Uiso 1 1 calc R . .
C3 C 0.1941(5) 0.1392(3) 0.3680(4) 0.1153(16) Uani 1 1 d . . .
H3A H 0.1094 0.1656 0.3653 0.173 Uiso 1 1 calc R . .
H3B H 0.2761 0.1455 0.4583 0.173 Uiso 1 1 calc R . .
H3C H 0.1697 0.0887 0.3526 0.173 Uiso 1 1 calc R . .
C1 C 0.3722(4) 0.1285(2) 0.2549(4) 0.1054(14) Uani 1 1 d . . .
H1A H 0.4567 0.1376 0.3423 0.158 Uiso 1 1 calc R . .
H1B H 0.3923 0.1461 0.1785 0.158 Uiso 1 1 calc R . .
H1C H 0.3533 0.0774 0.2441 0.158 Uiso 1 1 calc R . .
Li1A Li 0.1552(8) 0.0000 0.0545(7) 0.0628(16) Uani 1 2 d S . .
C7 C 0.2365(10) 0.0389(3) -0.2733(6) 0.168(3) Uani 1 1 d . . .
H7A H 0.3121 0.0569 -0.3012 0.201 Uiso 1 1 calc R . .
H7B H 0.1405 0.0569 -0.3394 0.201 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
P1 C5 1.743(2) 2 ?
P1 C5 1.743(2) . ?
N1 C5 1.329(3) . ?
N1 N1 1.383(4) 2 ?
N1 Li1A 1.965(4) . ?
N1 Li1A 2.606(6) 5 ?
C5 C4 1.527(4) . ?
O1 C6 1.430(4) 6 ?
O1 C6 1.430(4) . ?
O1 Li1A 1.899(8) . ?
C4 C3 1.508(5) . ?
C4 C1 1.517(5) . ?
C4 C2 1.542(5) . ?
C6 C7 1.408(6) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
Li1A N1 1.965(4) 6 ?
Li1A N1 2.606(6) 5 ?
Li1A N1 2.606(6) 2 ?
Li1A Li1A 2.792(14) 5 ?
C7 C7 1.438(10) 6 ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?

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
C5 P1 C5 86.58(16) 2 . ?
C5 N1 N1 112.28(14) . 2 ?
C5 N1 Li1A 137.1(3) . . ?
N1 N1 Li1A 100.8(2) 2 . ?
C5 N1 Li1A 149.1(2) . 5 ?
N1 N1 Li1A 47.78(15) 2 5 ?
Li1A N1 Li1A 73.8(3) . 5 ?
N1 C5 C4 118.1(2) . . ?
N1 C5 P1 114.43(18) . . ?
C4 C5 P1 127.51(18) . . ?
C6 O1 C6 108.4(4) 6 . ?
C6 O1 Li1A 120.5(2) 6 . ?
C6 O1 Li1A 120.5(2) . . ?
C3 C4 C1 112.3(3) . . ?
C3 C4 C5 109.4(3) . . ?
C1 C4 C5 110.0(2) . . ?
C3 C4 C2 108.7(3) . . ?
C1 C4 C2 106.7(3) . . ?
C5 C4 C2 109.7(2) . . ?
C7 C6 O1 106.8(3) . . ?
C7 C6 H6A 110.4 . . ?
O1 C6 H6A 110.4 . . ?
C7 C6 H6B 110.4 . . ?
O1 C6 H6B 110.4 . . ?
H6A C6 H6B 108.6 . . ?
C4 C2 H2A 109.5 . . ?
C4 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C4 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 H3A 109.5 . . ?
C4 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C4 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C4 C1 H1A 109.5 . . ?
C4 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C4 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 Li1A N1 116.0(2) . 6 ?
O1 Li1A N1 116.0(2) . . ?
N1 Li1A N1 120.2(4) 6 . ?
O1 Li1A N1 105.7(3) . 5 ?
N1 Li1A N1 31.40(13) 6 5 ?
N1 Li1A N1 106.2(3) . 5 ?
O1 Li1A N1 105.7(3) . 2 ?
N1 Li1A N1 106.2(3) 6 2 ?
N1 Li1A N1 31.40(13) . 2 ?
N1 Li1A N1 81.6(2) 5 2 ?
O1 Li1A Li1A 124.2(5) . 5 ?
N1 Li1A Li1A 63.7(2) 6 5 ?
N1 Li1A Li1A 63.7(2) . 5 ?
N1 Li1A Li1A 42.52(12) 5 5 ?
N1 Li1A Li1A 42.52(12) 2 5 ?
C6 C7 C7 108.2(2) . 6 ?
C6 C7 H7A 110.1 . . ?
C7 C7 H7A 110.1 6 . ?
C6 C7 H7B 110.1 . . ?
C7 C7 H7B 110.1 6 . ?
H7A C7 H7B 108.4 . . ?

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
N1 N1 C5 C4 178.6(3) 2 . . . ?
Li1A N1 C5 C4 -43.7(5) . . . . ?
Li1A N1 C5 C4 135.4(4) 5 . . . ?
N1 N1 C5 P1 -0.4(4) 2 . . . ?
Li1A N1 C5 P1 137.2(4) . . . . ?
Li1A N1 C5 P1 -43.6(5) 5 . . . ?
C5 P1 C5 N1 0.17(13) 2 . . . ?
C5 P1 C5 C4 -178.7(3) 2 . . . ?
N1 C5 C4 C3 -66.2(3) . . . . ?
P1 C5 C4 C3 112.7(3) . . . . ?
N1 C5 C4 C1 57.6(4) . . . . ?
P1 C5 C4 C1 -123.5(3) . . . . ?
N1 C5 C4 C2 174.7(3) . . . . ?
P1 C5 C4 C2 -6.4(4) . . . . ?
C6 O1 C6 C7 12.6(8) 6 . . . ?
Li1A O1 C6 C7 -132.1(5) . . . . ?
C6 O1 Li1A N1 4.4(6) 6 . . 6 ?
C6 O1 Li1A N1 144.8(3) . . . 6 ?
C6 O1 Li1A N1 -144.8(3) 6 . . . ?
C6 O1 Li1A N1 -4.4(6) . . . . ?
C6 O1 Li1A N1 -27.4(4) 6 . . 5 ?
C6 O1 Li1A N1 113.0(3) . . . 5 ?
C6 O1 Li1A N1 -113.0(3) 6 . . 2 ?
C6 O1 Li1A N1 27.4(4) . . . 2 ?
C6 O1 Li1A Li1A -70.2(3) 6 . . 5 ?
C6 O1 Li1A Li1A 70.2(3) . . . 5 ?
C5 N1 Li1A O1 -63.3(6) . . . . ?
N1 N1 Li1A O1 77.3(4) 2 . . . ?
Li1A N1 Li1A O1 117.1(5) 5 . . . ?
C5 N1 Li1A N1 148.7(3) . . . 6 ?
N1 N1 Li1A N1 -70.6(5) 2 . . 6 ?
Li1A N1 Li1A N1 -30.8(2) 5 . . 6 ?
C5 N1 Li1A N1 179.5(3) . . . 5 ?
N1 N1 Li1A N1 -39.8(3) 2 . . 5 ?
Li1A N1 Li1A N1 0.0 5 . . 5 ?
C5 N1 Li1A N1 -140.6(5) . . . 2 ?
Li1A N1 Li1A N1 39.8(3) 5 . . 2 ?
C5 N1 Li1A Li1A 179.5(3) . . . 5 ?
N1 N1 Li1A Li1A -39.8(3) 2 . . 5 ?
O1 C6 C7 C7 -7.7(5) . . . 6 ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.329
_refine_diff_density_min         -0.271
_refine_diff_density_rms         0.047
####################################################################### 
# 
# 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_11
_database_code_depnum_ccdc_archive 'CCDC 1457797'
_audit_update_record             
;
2016-05-21 deposited with the CCDC.
2016-06-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H72 N8 P4 Sb2'
_chemical_formula_weight         1032.44

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'
Sb Sb -0.5866 1.5461 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'

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

_cell_length_a                   23.2715(12)
_cell_length_b                   10.7778(4)
_cell_length_c                   21.6431(14)
_cell_angle_alpha                90.00
_cell_angle_beta                 114.457(7)
_cell_angle_gamma                90.00
_cell_volume                     4941.3(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    7553
_cell_measurement_theta_min      3.2560
_cell_measurement_theta_max      28.1350

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.388
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2120
_exptl_absorpt_coefficient_mu    1.258
_exptl_absorpt_correction_T_min  0.58624
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(2)
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Eos
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.0251
_diffrn_standards_number         33242
_diffrn_standards_interval_count 1.0000
_diffrn_standards_interval_time  145.5600
_diffrn_standards_decay_%        none
_diffrn_reflns_number            28867
_diffrn_reflns_av_R_equivalents  0.1018
_diffrn_reflns_av_unetI/netI     0.1407
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.80
_diffrn_reflns_theta_max         25.68
_reflns_number_total             9379
_reflns_number_gt                4785
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_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)+(0.0531P)²+0.0000P] 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         9379
_refine_ls_number_parameters     511
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1455
_refine_ls_R_factor_gt           0.0684
_refine_ls_wR_factor_ref         0.1673
_refine_ls_wR_factor_gt          0.1349
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_restrained_S_all      1.000
_refine_ls_shift/su_max          0.000
_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
C1 C 0.1850(4) 0.5121(9) 0.2840(5) 0.075(3) Uani 1 1 d . . .
H1A H 0.1401 0.5169 0.2589 0.112 Uiso 1 1 calc R . .
H1B H 0.2039 0.4823 0.2549 0.112 Uiso 1 1 calc R . .
H1C H 0.2014 0.5929 0.3007 0.112 Uiso 1 1 calc R . .
C2 C 0.1761(4) 0.4783(9) 0.3930(5) 0.067(3) Uani 1 1 d . . .
H2A H 0.1309 0.4828 0.3714 0.100 Uiso 1 1 calc R . .
H2B H 0.1932 0.5602 0.4057 0.100 Uiso 1 1 calc R . .
H2C H 0.1888 0.4273 0.4328 0.100 Uiso 1 1 calc R . .
C3 C 0.2727(3) 0.4078(9) 0.3812(5) 0.068(3) Uani 1 1 d . . .
H3A H 0.2907 0.4832 0.4049 0.103 Uiso 1 1 calc R . .
H3B H 0.2898 0.3904 0.3487 0.103 Uiso 1 1 calc R . .
H3C H 0.2824 0.3406 0.4131 0.103 Uiso 1 1 calc R . .
C4 C 0.2006(4) 0.4224(8) 0.3442(4) 0.043(2) Uani 1 1 d . . .
C5 C 0.1701(3) 0.2949(7) 0.3191(4) 0.0343(19) Uani 1 1 d . . .
C6 C 0.1094(3) 0.1091(8) 0.2863(4) 0.036(2) Uani 1 1 d . . .
C7 C 0.0612(3) 0.0038(8) 0.2624(4) 0.039(2) Uani 1 1 d . . .
C8 C 0.0909(4) -0.1267(8) 0.2809(6) 0.082(4) Uani 1 1 d . . .
H8A H 0.0580 -0.1880 0.2678 0.122 Uiso 1 1 calc R . .
H8B H 0.1157 -0.1314 0.3290 0.122 Uiso 1 1 calc R . .
H8C H 0.1173 -0.1419 0.2575 0.122 Uiso 1 1 calc R . .
C9 C 0.0269(4) 0.0151(10) 0.1862(5) 0.083(4) Uani 1 1 d . . .
H9A H 0.0062 0.0942 0.1748 0.124 Uiso 1 1 calc R . .
H9B H -0.0039 -0.0499 0.1691 0.124 Uiso 1 1 calc R . .
H9C H 0.0567 0.0080 0.1661 0.124 Uiso 1 1 calc R . .
C10 C 0.0148(4) 0.0203(10) 0.2943(6) 0.084(4) Uani 1 1 d . . .
H10A H -0.0066 0.0983 0.2803 0.126 Uiso 1 1 calc R . .
H10B H 0.0371 0.0189 0.3429 0.126 Uiso 1 1 calc R . .
H10C H -0.0155 -0.0459 0.2800 0.126 Uiso 1 1 calc R . .
C11 C 0.0883(4) -0.1883(9) -0.0090(5) 0.075(3) Uani 1 1 d . . .
H11A H 0.0472 -0.1586 -0.0159 0.113 Uiso 1 1 calc R . .
H11B H 0.0863 -0.2758 -0.0178 0.113 Uiso 1 1 calc R . .
H11C H 0.1022 -0.1459 -0.0393 0.113 Uiso 1 1 calc R . .
C12 C 0.1139(5) -0.2316(8) 0.1129(5) 0.070(3) Uani 1 1 d . . .
H12A H 0.1469 -0.2295 0.1580 0.105 Uiso 1 1 calc R . .
H12B H 0.1046 -0.3162 0.0983 0.105 Uiso 1 1 calc R . .
H12C H 0.0768 -0.1925 0.1126 0.105 Uiso 1 1 calc R . .
C13 C 0.1998(4) -0.2033(8) 0.0725(5) 0.069(3) Uani 1 1 d . . .
H13A H 0.2121 -0.1546 0.0428 0.103 Uiso 1 1 calc R . .
H13B H 0.1987 -0.2894 0.0607 0.103 Uiso 1 1 calc R . .
H13C H 0.2298 -0.1915 0.1186 0.103 Uiso 1 1 calc R . .
C14 C 0.1353(4) -0.1632(8) 0.0653(4) 0.042(2) Uani 1 1 d . . .
C15 C 0.1364(3) -0.0235(7) 0.0776(4) 0.040(2) Uani 1 1 d . . .
C16 C 0.1349(3) 0.2009(8) 0.0821(4) 0.037(2) Uani 1 1 d . . .
C17 C 0.1228(4) 0.3376(8) 0.0753(4) 0.044(2) Uani 1 1 d . . .
C18 C 0.0854(4) 0.3712(9) 0.1170(5) 0.065(3) Uani 1 1 d . . .
H18A H 0.0440 0.3353 0.0962 0.098 Uiso 1 1 calc R . .
H18B H 0.0819 0.4598 0.1186 0.098 Uiso 1 1 calc R . .
H18C H 0.1069 0.3395 0.1623 0.098 Uiso 1 1 calc R . .
C19 C 0.0837(5) 0.3744(9) 0.0013(5) 0.084(4) Uani 1 1 d . . .
H19A H 0.1072 0.3563 -0.0251 0.126 Uiso 1 1 calc R . .
H19B H 0.0746 0.4616 -0.0011 0.126 Uiso 1 1 calc R . .
H19C H 0.0449 0.3283 -0.0162 0.126 Uiso 1 1 calc R . .
C20 C 0.1834(4) 0.4136(8) 0.1019(5) 0.068(3) Uani 1 1 d . . .
H20A H 0.2053 0.4021 0.1501 0.102 Uiso 1 1 calc R . .
H20B H 0.1733 0.4999 0.0923 0.102 Uiso 1 1 calc R . .
H20C H 0.2098 0.3869 0.0801 0.102 Uiso 1 1 calc R . .
C21 C 0.4192(4) 0.3508(9) 0.3581(5) 0.078(4) Uani 1 1 d . . .
H21A H 0.3915 0.3335 0.3118 0.117 Uiso 1 1 calc R . .
H21B H 0.4532 0.4027 0.3594 0.117 Uiso 1 1 calc R . .
H21C H 0.3962 0.3925 0.3799 0.117 Uiso 1 1 calc R . .
C22 C 0.4974(4) 0.2621(9) 0.4637(4) 0.066(3) Uani 1 1 d . . .
H22A H 0.4805 0.3149 0.4878 0.099 Uiso 1 1 calc R . .
H22B H 0.5310 0.3043 0.4577 0.099 Uiso 1 1 calc R . .
H22C H 0.5134 0.1874 0.4893 0.099 Uiso 1 1 calc R . .
C23 C 0.4740(4) 0.1506(9) 0.3550(5) 0.063(3) Uani 1 1 d . . .
H23A H 0.4919 0.0761 0.3800 0.094 Uiso 1 1 calc R . .
H23B H 0.5064 0.1970 0.3487 0.094 Uiso 1 1 calc R . .
H23C H 0.4414 0.1293 0.3116 0.094 Uiso 1 1 calc R . .
C24 C 0.4458(3) 0.2297(8) 0.3949(4) 0.039(2) Uani 1 1 d . . .
C25 C 0.3958(3) 0.1471(8) 0.4026(4) 0.038(2) Uani 1 1 d . . .
C26 C 0.3291(3) 0.0033(7) 0.4302(4) 0.0304(18) Uani 1 1 d . . .
C27 C 0.2951(4) -0.0834(8) 0.4593(4) 0.042(2) Uani 1 1 d . . .
C28 C 0.3324(4) -0.0982(10) 0.5353(4) 0.073(3) Uani 1 1 d . . .
H28A H 0.3722 -0.1368 0.5442 0.110 Uiso 1 1 calc R . .
H28B H 0.3091 -0.1490 0.5533 0.110 Uiso 1 1 calc R . .
H28C H 0.3395 -0.0181 0.5566 0.110 Uiso 1 1 calc R . .
C29 C 0.2869(6) -0.2105(9) 0.4272(6) 0.104(5) Uani 1 1 d . . .
H29A H 0.2682 -0.2023 0.3787 0.157 Uiso 1 1 calc R . .
H29B H 0.2601 -0.2600 0.4411 0.157 Uiso 1 1 calc R . .
H29C H 0.3274 -0.2499 0.4414 0.157 Uiso 1 1 calc R . .
C30 C 0.2321(4) -0.0247(11) 0.4463(5) 0.091(4) Uani 1 1 d . . .
H30A H 0.2389 0.0535 0.4694 0.137 Uiso 1 1 calc R . .
H30B H 0.2087 -0.0786 0.4628 0.137 Uiso 1 1 calc R . .
H30C H 0.2088 -0.0120 0.3984 0.137 Uiso 1 1 calc R . .
C31 C 0.2969(4) 0.1756(10) 0.0684(5) 0.079(4) Uani 1 1 d . . .
H31A H 0.2699 0.2045 0.0889 0.118 Uiso 1 1 calc R . .
H31B H 0.2809 0.0988 0.0452 0.118 Uiso 1 1 calc R . .
H31C H 0.2982 0.2363 0.0365 0.118 Uiso 1 1 calc R . .
C32 C 0.4059(5) 0.1198(10) 0.0863(5) 0.085(4) Uani 1 1 d . . .
H32A H 0.4060 0.1867 0.0570 0.127 Uiso 1 1 calc R . .
H32B H 0.3893 0.0464 0.0597 0.127 Uiso 1 1 calc R . .
H32C H 0.4482 0.1044 0.1189 0.127 Uiso 1 1 calc R . .
C33 C 0.3898(5) 0.2716(9) 0.1648(6) 0.082(4) Uani 1 1 d . . .
H33A H 0.3598 0.3029 0.1809 0.123 Uiso 1 1 calc R . .
H33B H 0.3972 0.3330 0.1368 0.123 Uiso 1 1 calc R . .
H33C H 0.4287 0.2528 0.2028 0.123 Uiso 1 1 calc R . .
C34 C 0.3640(4) 0.1552(9) 0.1238(4) 0.050(2) Uani 1 1 d . . .
C35 C 0.3613(3) 0.0467(7) 0.1672(4) 0.037(2) Uani 1 1 d . . .
C36 C 0.3617(3) -0.1425(8) 0.2265(4) 0.0354(19) Uani 1 1 d . . .
C37 C 0.3728(4) -0.2636(8) 0.2649(4) 0.043(2) Uani 1 1 d . . .
C38 C 0.3120(5) -0.3307(9) 0.2521(7) 0.100(4) Uani 1 1 d . . .
H38A H 0.2836 -0.2754 0.2602 0.150 Uiso 1 1 calc R . .
H38B H 0.3207 -0.4008 0.2820 0.150 Uiso 1 1 calc R . .
H38C H 0.2931 -0.3588 0.2058 0.150 Uiso 1 1 calc R . .
C39 C 0.4132(5) -0.3490(10) 0.2415(5) 0.079(3) Uani 1 1 d . . .
H39A H 0.3889 -0.3744 0.1954 0.118 Uiso 1 1 calc R . .
H39B H 0.4259 -0.4208 0.2702 0.118 Uiso 1 1 calc R . .
H39C H 0.4500 -0.3048 0.2442 0.118 Uiso 1 1 calc R . .
C40 C 0.4091(5) -0.2378(9) 0.3406(5) 0.087(4) Uani 1 1 d . . .
H40A H 0.4496 -0.2031 0.3488 0.131 Uiso 1 1 calc R . .
H40B H 0.4147 -0.3139 0.3655 0.131 Uiso 1 1 calc R . .
H40C H 0.3857 -0.1801 0.3551 0.131 Uiso 1 1 calc R . .
N1 N 0.1948(3) 0.2144(6) 0.2895(3) 0.0338(16) Uani 1 1 d . . .
N2 N 0.1610(3) 0.1057(6) 0.2730(3) 0.0331(16) Uani 1 1 d . . .
N3 N 0.1761(3) 0.1492(6) 0.1397(3) 0.0363(16) Uani 1 1 d . . .
N4 N 0.1757(3) 0.0232(6) 0.1384(3) 0.0336(15) Uani 1 1 d . . .
N5 N 0.3237(3) 0.0506(6) 0.1984(3) 0.0381(17) Uani 1 1 d . . .
N6 N 0.3226(3) -0.0560(6) 0.2326(3) 0.0323(15) Uani 1 1 d . . .
N7 N 0.3414(3) 0.1213(6) 0.3498(3) 0.0334(16) Uani 1 1 d . . .
N8 N 0.3058(3) 0.0346(6) 0.3657(3) 0.0338(16) Uani 1 1 d . . .
P1 P 0.10118(9) 0.2454(2) 0.32434(12) 0.0414(6) Uani 1 1 d . . .
P2 P 0.09489(10) 0.0906(2) 0.01972(11) 0.0452(6) Uani 1 1 d . . .
P3 P 0.40103(10) -0.0933(2) 0.17716(12) 0.0493(6) Uani 1 1 d . . .
P4 P 0.40286(9) 0.0739(2) 0.47759(11) 0.0431(6) Uani 1 1 d . . .
Sb1 Sb 0.26975(2) 0.19350(5) 0.24068(3) 0.03787(18) Uani 1 1 d . . .
Sb2 Sb 0.23087(2) -0.03259(5) 0.25631(3) 0.03820(18) Uani 1 1 d . . .


_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
C1 C4 1.539(12) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C4 1.518(11) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 C4 1.538(10) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 C5 1.539(10) . ?
C5 N1 1.341(9) . ?
C5 P1 1.738(7) . ?
C6 N2 1.346(8) . ?
C6 C7 1.528(10) . ?
C6 P1 1.733(8) . ?
C7 C9 1.511(11) . ?
C7 C10 1.514(10) . ?
C7 C8 1.545(12) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C14 1.548(11) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C14 1.509(12) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.507(10) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 C15 1.528(10) . ?
C15 N4 1.350(9) . ?
C15 P2 1.736(8) . ?
C16 N3 1.339(9) . ?
C16 C17 1.496(11) . ?
C16 P2 1.750(8) . ?
C17 C20 1.522(11) . ?
C17 C19 1.531(11) . ?
C17 C18 1.534(11) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C24 1.521(11) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 C24 1.517(10) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C24 1.541(11) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C25 1.527(10) . ?
C25 N7 1.336(8) . ?
C25 P4 1.751(8) . ?
C26 N8 1.316(8) . ?
C26 C27 1.520(10) . ?
C26 P4 1.767(7) . ?
C27 C30 1.511(11) . ?
C27 C29 1.512(12) . ?
C27 C28 1.518(10) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 C34 1.540(11) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 C34 1.552(12) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 C34 1.510(12) . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 C35 1.518(10) . ?
C35 N5 1.309(9) . ?
C35 P3 1.736(8) . ?
C36 N6 1.346(9) . ?
C36 C37 1.512(10) . ?
C36 P3 1.751(8) . ?
C37 C38 1.509(11) . ?
C37 C40 1.526(12) . ?
C37 C39 1.543(12) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
N1 N2 1.372(8) . ?
N1 Sb1 2.395(6) . ?
N2 Sb2 2.341(6) . ?
N3 N4 1.359(8) . ?
N3 Sb1 2.411(6) . ?
N4 Sb2 2.411(6) . ?
N5 N6 1.372(8) . ?
N5 Sb1 2.395(6) . ?
N6 Sb2 2.407(5) . ?
N7 N8 1.383(8) . ?
N7 Sb1 2.388(6) . ?
N8 Sb2 2.398(6) . ?
Sb1 Sb2 2.6691(8) . ?

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
C4 C1 H1A 109.5 . . ?
C4 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C4 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C4 C2 H2A 109.5 . . ?
C4 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C4 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 H3A 109.5 . . ?
C4 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C4 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 C3 108.7(7) . . ?
C2 C4 C5 110.4(7) . . ?
C3 C4 C5 109.6(7) . . ?
C2 C4 C1 108.4(8) . . ?
C3 C4 C1 109.2(7) . . ?
C5 C4 C1 110.5(7) . . ?
N1 C5 C4 121.4(7) . . ?
N1 C5 P1 115.0(6) . . ?
C4 C5 P1 123.7(6) . . ?
N2 C6 C7 120.2(7) . . ?
N2 C6 P1 114.1(6) . . ?
C7 C6 P1 125.5(6) . . ?
C9 C7 C10 109.6(8) . . ?
C9 C7 C6 106.9(7) . . ?
C10 C7 C6 108.7(7) . . ?
C9 C7 C8 109.5(8) . . ?
C10 C7 C8 108.4(8) . . ?
C6 C7 C8 113.7(6) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C14 C11 H11A 109.5 . . ?
C14 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C14 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C14 C12 H12A 109.5 . . ?
C14 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C14 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C14 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C13 C14 C12 112.7(8) . . ?
C13 C14 C15 108.7(7) . . ?
C12 C14 C15 110.4(7) . . ?
C13 C14 C11 107.7(7) . . ?
C12 C14 C11 109.4(8) . . ?
C15 C14 C11 107.9(7) . . ?
N4 C15 C14 119.5(7) . . ?
N4 C15 P2 112.9(6) . . ?
C14 C15 P2 127.5(6) . . ?
N3 C16 C17 122.3(7) . . ?
N3 C16 P2 112.5(6) . . ?
C17 C16 P2 125.1(6) . . ?
C16 C17 C20 112.7(7) . . ?
C16 C17 C19 111.3(7) . . ?
C20 C17 C19 108.2(8) . . ?
C16 C17 C18 107.7(7) . . ?
C20 C17 C18 108.3(7) . . ?
C19 C17 C18 108.5(8) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C24 C21 H21A 109.5 . . ?
C24 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C24 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C24 C22 H22A 109.5 . . ?
C24 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C24 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 H23A 109.5 . . ?
C24 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C24 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 C21 107.6(7) . . ?
C22 C24 C25 110.9(7) . . ?
C21 C24 C25 113.2(6) . . ?
C22 C24 C23 109.2(7) . . ?
C21 C24 C23 110.9(8) . . ?
C25 C24 C23 105.0(7) . . ?
N7 C25 C24 121.6(7) . . ?
N7 C25 P4 113.0(5) . . ?
C24 C25 P4 125.4(5) . . ?
N8 C26 C27 122.8(6) . . ?
N8 C26 P4 112.3(5) . . ?
C27 C26 P4 124.9(5) . . ?
C30 C27 C29 111.5(8) . . ?
C30 C27 C28 108.8(8) . . ?
C29 C27 C28 108.0(8) . . ?
C30 C27 C26 107.2(7) . . ?
C29 C27 C26 110.7(7) . . ?
C28 C27 C26 110.6(7) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C34 C31 H31A 109.5 . . ?
C34 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C34 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C34 C32 H32A 109.5 . . ?
C34 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C34 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 H33A 109.5 . . ?
C34 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C34 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C33 C34 C35 112.6(7) . . ?
C33 C34 C31 111.6(8) . . ?
C35 C34 C31 107.7(7) . . ?
C33 C34 C32 109.2(8) . . ?
C35 C34 C32 109.3(7) . . ?
C31 C34 C32 106.4(8) . . ?
N5 C35 C34 120.2(7) . . ?
N5 C35 P3 113.5(6) . . ?
C34 C35 P3 126.2(6) . . ?
N6 C36 C37 120.8(7) . . ?
N6 C36 P3 113.3(6) . . ?
C37 C36 P3 125.7(6) . . ?
C38 C37 C36 112.3(7) . . ?
C38 C37 C40 110.1(8) . . ?
C36 C37 C40 109.0(7) . . ?
C38 C37 C39 107.8(8) . . ?
C36 C37 C39 108.9(7) . . ?
C40 C37 C39 108.7(7) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C5 N1 N2 111.3(6) . . ?
C5 N1 Sb1 143.7(5) . . ?
N2 N1 Sb1 104.4(4) . . ?
C6 N2 N1 112.8(6) . . ?
C6 N2 Sb2 142.0(5) . . ?
N1 N2 Sb2 102.9(4) . . ?
C16 N3 N4 113.6(6) . . ?
C16 N3 Sb1 142.3(5) . . ?
N4 N3 Sb1 102.2(4) . . ?
C15 N4 N3 112.8(6) . . ?
C15 N4 Sb2 142.0(5) . . ?
N3 N4 Sb2 103.4(4) . . ?
C35 N5 N6 114.7(6) . . ?
C35 N5 Sb1 141.8(6) . . ?
N6 N5 Sb1 101.7(4) . . ?
C36 N6 N5 111.2(6) . . ?
C36 N6 Sb2 142.1(5) . . ?
N5 N6 Sb2 104.1(4) . . ?
C25 N7 N8 112.4(6) . . ?
C25 N7 Sb1 143.5(5) . . ?
N8 N7 Sb1 102.8(4) . . ?
C26 N8 N7 114.3(6) . . ?
C26 N8 Sb2 141.4(5) . . ?
N7 N8 Sb2 103.0(4) . . ?
C6 P1 C5 86.7(3) . . ?
C15 P2 C16 88.0(4) . . ?
C35 P3 C36 87.3(4) . . ?
C25 P4 C26 87.7(3) . . ?
N7 Sb1 N1 86.1(2) . . ?
N7 Sb1 N5 84.6(2) . . ?
N1 Sb1 N5 145.2(2) . . ?
N7 Sb1 N3 146.2(2) . . ?
N1 Sb1 N3 82.4(2) . . ?
N5 Sb1 N3 87.0(2) . . ?
N7 Sb1 Sb2 73.26(15) . . ?
N1 Sb1 Sb2 71.51(15) . . ?
N5 Sb1 Sb2 73.74(14) . . ?
N3 Sb1 Sb2 72.99(15) . . ?
N2 Sb2 N8 85.6(2) . . ?
N2 Sb2 N6 146.5(2) . . ?
N8 Sb2 N6 84.0(2) . . ?
N2 Sb2 N4 84.6(2) . . ?
N8 Sb2 N4 145.2(2) . . ?
N6 Sb2 N4 86.0(2) . . ?
N2 Sb2 Sb1 74.44(15) . . ?
N8 Sb2 Sb1 72.74(15) . . ?
N6 Sb2 Sb1 72.04(15) . . ?
N4 Sb2 Sb1 72.42(14) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_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 C4 C5 N1 -163.4(7) . . . . ?
C3 C4 C5 N1 -43.7(11) . . . . ?
C1 C4 C5 N1 76.8(9) . . . . ?
C2 C4 C5 P1 18.5(10) . . . . ?
C3 C4 C5 P1 138.3(7) . . . . ?
C1 C4 C5 P1 -101.3(8) . . . . ?
N2 C6 C7 C9 -71.5(9) . . . . ?
P1 C6 C7 C9 102.6(8) . . . . ?
N2 C6 C7 C10 170.3(8) . . . . ?
P1 C6 C7 C10 -15.7(10) . . . . ?
N2 C6 C7 C8 49.5(11) . . . . ?
P1 C6 C7 C8 -136.4(8) . . . . ?
C13 C14 C15 N4 -61.2(10) . . . . ?
C12 C14 C15 N4 62.8(10) . . . . ?
C11 C14 C15 N4 -177.7(8) . . . . ?
C13 C14 C15 P2 114.9(8) . . . . ?
C12 C14 C15 P2 -121.1(8) . . . . ?
C11 C14 C15 P2 -1.6(11) . . . . ?
N3 C16 C17 C20 47.5(11) . . . . ?
P2 C16 C17 C20 -136.7(7) . . . . ?
N3 C16 C17 C19 169.2(8) . . . . ?
P2 C16 C17 C19 -14.9(11) . . . . ?
N3 C16 C17 C18 -71.9(10) . . . . ?
P2 C16 C17 C18 104.0(8) . . . . ?
C22 C24 C25 N7 170.3(8) . . . . ?
C21 C24 C25 N7 49.3(11) . . . . ?
C23 C24 C25 N7 -71.8(10) . . . . ?
C22 C24 C25 P4 -11.5(11) . . . . ?
C21 C24 C25 P4 -132.5(8) . . . . ?
C23 C24 C25 P4 106.4(8) . . . . ?
N8 C26 C27 C30 -59.5(10) . . . . ?
P4 C26 C27 C30 120.1(8) . . . . ?
N8 C26 C27 C29 62.3(11) . . . . ?
P4 C26 C27 C29 -118.1(8) . . . . ?
N8 C26 C27 C28 -178.0(8) . . . . ?
P4 C26 C27 C28 1.6(10) . . . . ?
C33 C34 C35 N5 65.1(10) . . . . ?
C31 C34 C35 N5 -58.3(10) . . . . ?
C32 C34 C35 N5 -173.4(8) . . . . ?
C33 C34 C35 P3 -118.9(8) . . . . ?
C31 C34 C35 P3 117.7(8) . . . . ?
C32 C34 C35 P3 2.6(11) . . . . ?
N6 C36 C37 C38 54.2(11) . . . . ?
P3 C36 C37 C38 -131.5(8) . . . . ?
N6 C36 C37 C40 -68.1(9) . . . . ?
P3 C36 C37 C40 106.2(8) . . . . ?
N6 C36 C37 C39 173.5(7) . . . . ?
P3 C36 C37 C39 -12.2(10) . . . . ?
C4 C5 N1 N2 178.3(7) . . . . ?
P1 C5 N1 N2 -3.5(8) . . . . ?
C4 C5 N1 Sb1 -12.4(13) . . . . ?
P1 C5 N1 Sb1 165.8(5) . . . . ?
C7 C6 N2 N1 171.6(6) . . . . ?
P1 C6 N2 N1 -3.1(8) . . . . ?
C7 C6 N2 Sb2 -29.7(12) . . . . ?
P1 C6 N2 Sb2 155.6(5) . . . . ?
C5 N1 N2 C6 4.2(9) . . . . ?
Sb1 N1 N2 C6 -169.3(5) . . . . ?
C5 N1 N2 Sb2 -162.6(5) . . . . ?
Sb1 N1 N2 Sb2 24.0(4) . . . . ?
C17 C16 N3 N4 173.5(7) . . . . ?
P2 C16 N3 N4 -2.9(9) . . . . ?
C17 C16 N3 Sb1 -25.6(14) . . . . ?
P2 C16 N3 Sb1 158.0(5) . . . . ?
C14 C15 N4 N3 173.9(7) . . . . ?
P2 C15 N4 N3 -2.7(9) . . . . ?
C14 C15 N4 Sb2 -25.1(13) . . . . ?
P2 C15 N4 Sb2 158.3(5) . . . . ?
C16 N3 N4 C15 3.6(10) . . . . ?
Sb1 N3 N4 C15 -164.6(5) . . . . ?
C16 N3 N4 Sb2 -164.5(5) . . . . ?
Sb1 N3 N4 Sb2 27.3(4) . . . . ?
C34 C35 N5 N6 176.1(7) . . . . ?
P3 C35 N5 N6 -0.4(9) . . . . ?
C34 C35 N5 Sb1 -23.0(13) . . . . ?
P3 C35 N5 Sb1 160.5(5) . . . . ?
C37 C36 N6 N5 174.6(6) . . . . ?
P3 C36 N6 N5 -0.4(8) . . . . ?
C37 C36 N6 Sb2 -28.0(12) . . . . ?
P3 C36 N6 Sb2 157.0(5) . . . . ?
C35 N5 N6 C36 0.5(9) . . . . ?
Sb1 N5 N6 C36 -167.6(5) . . . . ?
C35 N5 N6 Sb2 -165.4(5) . . . . ?
Sb1 N5 N6 Sb2 26.5(4) . . . . ?
C24 C25 N7 N8 173.4(7) . . . . ?
P4 C25 N7 N8 -5.0(8) . . . . ?
C24 C25 N7 Sb1 -23.2(14) . . . . ?
P4 C25 N7 Sb1 158.3(5) . . . . ?
C27 C26 N8 N7 175.5(7) . . . . ?
P4 C26 N8 N7 -4.1(8) . . . . ?
C27 C26 N8 Sb2 -20.6(13) . . . . ?
P4 C26 N8 Sb2 159.7(5) . . . . ?
C25 N7 N8 C26 6.0(9) . . . . ?
Sb1 N7 N8 C26 -164.0(5) . . . . ?
C25 N7 N8 Sb2 -163.8(5) . . . . ?
Sb1 N7 N8 Sb2 26.3(4) . . . . ?
N2 C6 P1 C5 1.0(6) . . . . ?
C7 C6 P1 C5 -173.4(7) . . . . ?
N1 C5 P1 C6 1.5(6) . . . . ?
C4 C5 P1 C6 179.6(7) . . . . ?
N4 C15 P2 C16 0.9(6) . . . . ?
C14 C15 P2 C16 -175.4(8) . . . . ?
N3 C16 P2 C15 1.1(6) . . . . ?
C17 C16 P2 C15 -175.1(8) . . . . ?
N5 C35 P3 C36 0.1(6) . . . . ?
C34 C35 P3 C36 -176.1(7) . . . . ?
N6 C36 P3 C35 0.1(6) . . . . ?
C37 C36 P3 C35 -174.5(7) . . . . ?
N7 C25 P4 C26 2.3(6) . . . . ?
C24 C25 P4 C26 -176.0(8) . . . . ?
N8 C26 P4 C25 1.1(6) . . . . ?
C27 C26 P4 C25 -178.6(7) . . . . ?
C25 N7 Sb1 N1 -116.3(9) . . . . ?
N8 N7 Sb1 N1 48.0(4) . . . . ?
C25 N7 Sb1 N5 97.2(9) . . . . ?
N8 N7 Sb1 N5 -98.5(4) . . . . ?
C25 N7 Sb1 N3 173.5(8) . . . . ?
N8 N7 Sb1 N3 -22.2(6) . . . . ?
C25 N7 Sb1 Sb2 171.8(9) . . . . ?
N8 N7 Sb1 Sb2 -23.9(4) . . . . ?
C5 N1 Sb1 N7 95.2(9) . . . . ?
N2 N1 Sb1 N7 -95.1(4) . . . . ?
C5 N1 Sb1 N5 170.0(8) . . . . ?
N2 N1 Sb1 N5 -20.3(6) . . . . ?
C5 N1 Sb1 N3 -116.6(9) . . . . ?
N2 N1 Sb1 N3 53.1(4) . . . . ?
C5 N1 Sb1 Sb2 168.9(9) . . . . ?
N2 N1 Sb1 Sb2 -21.5(4) . . . . ?
C35 N5 Sb1 N7 -112.2(9) . . . . ?
N6 N5 Sb1 N7 50.1(4) . . . . ?
C35 N5 Sb1 N1 172.6(8) . . . . ?
N6 N5 Sb1 N1 -25.1(6) . . . . ?
C35 N5 Sb1 N3 100.5(9) . . . . ?
N6 N5 Sb1 N3 -97.1(4) . . . . ?
C35 N5 Sb1 Sb2 173.7(9) . . . . ?
N6 N5 Sb1 Sb2 -24.0(4) . . . . ?
C16 N3 Sb1 N7 171.2(8) . . . . ?
N4 N3 Sb1 N7 -26.7(7) . . . . ?
C16 N3 Sb1 N1 100.0(9) . . . . ?
N4 N3 Sb1 N1 -97.9(5) . . . . ?
C16 N3 Sb1 N5 -113.2(9) . . . . ?
N4 N3 Sb1 N5 49.0(4) . . . . ?
C16 N3 Sb1 Sb2 172.9(9) . . . . ?
N4 N3 Sb1 Sb2 -25.0(4) . . . . ?
C6 N2 Sb2 N8 -108.1(8) . . . . ?
N1 N2 Sb2 N8 51.8(4) . . . . ?
C6 N2 Sb2 N6 179.7(7) . . . . ?
N1 N2 Sb2 N6 -20.3(6) . . . . ?
C6 N2 Sb2 N4 105.4(8) . . . . ?
N1 N2 Sb2 N4 -94.7(4) . . . . ?
C6 N2 Sb2 Sb1 178.6(8) . . . . ?
N1 N2 Sb2 Sb1 -21.5(4) . . . . ?
C26 N8 Sb2 N2 96.1(8) . . . . ?
N7 N8 Sb2 N2 -98.9(4) . . . . ?
C26 N8 Sb2 N6 -115.8(8) . . . . ?
N7 N8 Sb2 N6 49.1(4) . . . . ?
C26 N8 Sb2 N4 170.1(7) . . . . ?
N7 N8 Sb2 N4 -25.0(6) . . . . ?
C26 N8 Sb2 Sb1 171.2(8) . . . . ?
N7 N8 Sb2 Sb1 -23.9(4) . . . . ?
C36 N6 Sb2 N2 176.2(7) . . . . ?
N5 N6 Sb2 N2 -25.5(6) . . . . ?
C36 N6 Sb2 N8 103.6(8) . . . . ?
N5 N6 Sb2 N8 -98.1(4) . . . . ?
C36 N6 Sb2 N4 -109.9(8) . . . . ?
N5 N6 Sb2 N4 48.5(4) . . . . ?
C36 N6 Sb2 Sb1 177.3(8) . . . . ?
N5 N6 Sb2 Sb1 -24.3(4) . . . . ?
C15 N4 Sb2 N2 -111.8(8) . . . . ?
N3 N4 Sb2 N2 50.2(4) . . . . ?
C15 N4 Sb2 N8 174.0(7) . . . . ?
N3 N4 Sb2 N8 -24.1(6) . . . . ?
C15 N4 Sb2 N6 100.5(8) . . . . ?
N3 N4 Sb2 N6 -97.6(4) . . . . ?
C15 N4 Sb2 Sb1 172.9(9) . . . . ?
N3 N4 Sb2 Sb1 -25.2(4) . . . . ?
N7 Sb1 Sb2 N2 104.0(2) . . . . ?
N1 Sb1 Sb2 N2 12.5(2) . . . . ?
N5 Sb1 Sb2 N2 -166.9(2) . . . . ?
N3 Sb1 Sb2 N2 -75.1(2) . . . . ?
N7 Sb1 Sb2 N8 13.8(2) . . . . ?
N1 Sb1 Sb2 N8 -77.7(2) . . . . ?
N5 Sb1 Sb2 N8 103.0(2) . . . . ?
N3 Sb1 Sb2 N8 -165.2(2) . . . . ?
N7 Sb1 Sb2 N6 -75.4(2) . . . . ?
N1 Sb1 Sb2 N6 -166.9(2) . . . . ?
N5 Sb1 Sb2 N6 13.8(2) . . . . ?
N3 Sb1 Sb2 N6 105.6(2) . . . . ?
N7 Sb1 Sb2 N4 -166.9(2) . . . . ?
N1 Sb1 Sb2 N4 101.6(2) . . . . ?
N5 Sb1 Sb2 N4 -77.7(2) . . . . ?
N3 Sb1 Sb2 N4 14.1(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.68
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.480
_refine_diff_density_min         -1.294
_refine_diff_density_rms         0.129
####################################################################### 
# 
# 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_150708-1
_database_code_depnum_ccdc_archive 'CCDC 1457798'
_audit_update_record             
;
2016-05-21 deposited with the CCDC.
2016-06-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C64 H112 N16 P8 Sb4'
_chemical_formula_weight         1840.46

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'
Sb Sb -0.5866 1.5461 '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                   10.4526(6)
_cell_length_b                   13.8011(9)
_cell_length_c                   15.2389(10)
_cell_angle_alpha                90.444(5)
_cell_angle_beta                 100.987(5)
_cell_angle_gamma                94.207(5)
_cell_volume                     2151.7(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    6530
_cell_measurement_theta_min      3.5410
_cell_measurement_theta_max      27.5430

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.420
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             932
_exptl_absorpt_coefficient_mu    1.435
_exptl_absorpt_correction_T_min  0.53061
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(2)
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Eos
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.0251
_diffrn_standards_number         24134
_diffrn_standards_interval_count 1.0000
_diffrn_standards_interval_time  11.4850
_diffrn_standards_decay_%        nen
_diffrn_reflns_number            20849
_diffrn_reflns_av_R_equivalents  0.0425
_diffrn_reflns_av_unetI/netI     0.0543
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.92
_diffrn_reflns_theta_max         25.68
_reflns_number_total             8167
_reflns_number_gt                5891
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_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)+(0.0833P)²+3.4902P] 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         8167
_refine_ls_number_parameters     431
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0862
_refine_ls_R_factor_gt           0.0575
_refine_ls_wR_factor_ref         0.1660
_refine_ls_wR_factor_gt          0.1425
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.000
_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
C1 C 0.6768(11) 0.7793(6) -0.1884(5) 0.091(3) Uani 1 1 d . . .
H1A H 0.6301 0.8368 -0.1983 0.137 Uiso 1 1 calc R . .
H1B H 0.6457 0.7337 -0.2370 0.137 Uiso 1 1 calc R . .
H1C H 0.7685 0.7961 -0.1849 0.137 Uiso 1 1 calc R . .
C2 C 0.6551(7) 0.7342(5) -0.1016(5) 0.0523(17) Uani 1 1 d . . .
H2 H 0.5608 0.7219 -0.1046 0.063 Uiso 1 1 calc R . .
C3 C 0.7164(10) 0.6379(6) -0.0915(6) 0.086(3) Uani 1 1 d . . .
H3A H 0.8086 0.6484 -0.0902 0.129 Uiso 1 1 calc R . .
H3B H 0.6774 0.5955 -0.1412 0.129 Uiso 1 1 calc R . .
H3C H 0.7023 0.6087 -0.0369 0.129 Uiso 1 1 calc R . .
C4 C 0.7087(6) 0.8030(5) -0.0246(4) 0.0458(15) Uani 1 1 d . . .
C5 C 0.8186(6) 0.9077(5) 0.0995(5) 0.0494(16) Uani 1 1 d . . .
C6 C 0.9014(7) 0.9671(6) 0.1755(5) 0.0598(19) Uani 1 1 d . . .
H6 H 0.8528 1.0216 0.1891 0.072 Uiso 1 1 calc R . .
C7 C 0.9317(10) 0.9062(8) 0.2584(6) 0.096(3) Uani 1 1 d . . .
H7A H 0.8519 0.8856 0.2776 0.144 Uiso 1 1 calc R . .
H7B H 0.9881 0.9443 0.3053 0.144 Uiso 1 1 calc R . .
H7C H 0.9744 0.8502 0.2449 0.144 Uiso 1 1 calc R . .
C8 C 1.0293(8) 1.0080(7) 0.1494(7) 0.087(3) Uani 1 1 d . . .
H8A H 1.0722 0.9559 0.1282 0.130 Uiso 1 1 calc R . .
H8B H 1.0853 1.0390 0.2007 0.130 Uiso 1 1 calc R . .
H8C H 1.0103 1.0545 0.1031 0.130 Uiso 1 1 calc R . .
C9 C 0.5630(11) 0.9241(9) 0.3123(7) 0.117(4) Uani 1 1 d . . .
H9A H 0.5754 0.8603 0.3357 0.176 Uiso 1 1 calc R . .
H9B H 0.5946 0.9719 0.3590 0.176 Uiso 1 1 calc R . .
H9C H 0.6103 0.9342 0.2646 0.176 Uiso 1 1 calc R . .
C10 C 0.3371(13) 0.8979(10) 0.3434(6) 0.129(5) Uani 1 1 d . . .
H10A H 0.2469 0.9045 0.3179 0.193 Uiso 1 1 calc R . .
H10B H 0.3612 0.9360 0.3978 0.193 Uiso 1 1 calc R . .
H10C H 0.3497 0.8308 0.3560 0.193 Uiso 1 1 calc R . .
C11 C 0.4215(9) 0.9330(6) 0.2779(5) 0.070(2) Uani 1 1 d . . .
H11 H 0.4094 1.0022 0.2684 0.084 Uiso 1 1 calc R . .
C12 C 0.3781(7) 0.8809(4) 0.1885(4) 0.0456(15) Uani 1 1 d . . .
C13 C 0.3055(6) 0.7835(5) 0.0533(4) 0.0426(14) Uani 1 1 d . . .
C14 C 0.2522(7) 0.7163(5) -0.0266(4) 0.0493(16) Uani 1 1 d . . .
H14 H 0.3232 0.7086 -0.0593 0.059 Uiso 1 1 calc R . .
C15 C 0.2080(12) 0.6161(6) 0.0022(7) 0.106(4) Uani 1 1 d . . .
H15A H 0.2782 0.5907 0.0435 0.159 Uiso 1 1 calc R . .
H15B H 0.1839 0.5735 -0.0493 0.159 Uiso 1 1 calc R . .
H15C H 0.1342 0.6209 0.0305 0.159 Uiso 1 1 calc R . .
C16 C 0.1438(9) 0.7591(6) -0.0888(5) 0.072(2) Uani 1 1 d . . .
H16A H 0.0714 0.7651 -0.0591 0.108 Uiso 1 1 calc R . .
H16B H 0.1166 0.7177 -0.1409 0.108 Uiso 1 1 calc R . .
H16C H 0.1737 0.8222 -0.1062 0.108 Uiso 1 1 calc R . .
C17 C 0.5772(13) 0.5643(8) 0.1312(6) 0.110(4) Uani 1 1 d . . .
H17A H 0.6659 0.5602 0.1240 0.165 Uiso 1 1 calc R . .
H17B H 0.5404 0.6170 0.0969 0.165 Uiso 1 1 calc R . .
H17C H 0.5271 0.5046 0.1106 0.165 Uiso 1 1 calc R . .
C18 C 0.5743(8) 0.5817(6) 0.2285(5) 0.065(2) Uani 1 1 d . . .
H18 H 0.4861 0.5983 0.2328 0.078 Uiso 1 1 calc R . .
C19 C 0.6664(13) 0.6655(7) 0.2636(7) 0.109(4) Uani 1 1 d . . .
H19A H 0.6637 0.6770 0.3254 0.163 Uiso 1 1 calc R . .
H19B H 0.6420 0.7221 0.2301 0.163 Uiso 1 1 calc R . .
H19C H 0.7533 0.6519 0.2581 0.163 Uiso 1 1 calc R . .
C20 C 0.6025(7) 0.4932(5) 0.2820(4) 0.0492(16) Uani 1 1 d . . .
C21 C 0.6622(7) 0.3459(5) 0.3579(5) 0.0560(18) Uani 1 1 d . . .
C22 C 0.7046(11) 0.2489(6) 0.3969(6) 0.085(3) Uani 1 1 d U . .
H22 H 0.7730 0.2619 0.4502 0.103 Uiso 1 1 calc R . .
C23 C 0.5930(17) 0.1894(8) 0.4230(10) 0.162(7) Uani 1 1 d U . .
H23A H 0.5737 0.2163 0.4769 0.243 Uiso 1 1 calc R . .
H23B H 0.6160 0.1238 0.4329 0.243 Uiso 1 1 calc R . .
H23C H 0.5175 0.1900 0.3760 0.243 Uiso 1 1 calc R . .
C24 C 0.7598(10) 0.1917(7) 0.3290(8) 0.099(3) Uani 1 1 d . . .
H24A H 0.7957 0.1347 0.3564 0.148 Uiso 1 1 calc R . .
H24B H 0.8272 0.2314 0.3088 0.148 Uiso 1 1 calc R . .
H24C H 0.6913 0.1728 0.2791 0.148 Uiso 1 1 calc R . .
C25 C 0.9204(15) 0.3789(8) 0.6450(8) 0.140(6) Uani 1 1 d . . .
H25A H 0.8652 0.3688 0.5872 0.209 Uiso 1 1 calc R . .
H25B H 0.9308 0.3177 0.6740 0.209 Uiso 1 1 calc R . .
H25C H 1.0044 0.4076 0.6383 0.209 Uiso 1 1 calc R . .
C26 C 0.8592(8) 0.4456(6) 0.7006(6) 0.067(2) Uani 1 1 d . . .
H26 H 0.7797 0.4110 0.7135 0.080 Uiso 1 1 calc R . .
C27 C 0.9505(10) 0.4676(7) 0.7875(6) 0.089(3) Uani 1 1 d . . .
H27A H 1.0278 0.5039 0.7769 0.134 Uiso 1 1 calc R . .
H27B H 0.9738 0.4080 0.8161 0.134 Uiso 1 1 calc R . .
H27C H 0.9085 0.5053 0.8255 0.134 Uiso 1 1 calc R . .
C28 C 0.8200(7) 0.5336(5) 0.6489(5) 0.0544(17) Uani 1 1 d . . .
C29 C 0.7808(7) 0.6819(5) 0.5688(5) 0.0546(17) Uani 1 1 d . . .
C30 C 0.7738(9) 0.7790(5) 0.5254(5) 0.069(2) Uani 1 1 d . . .
H30 H 0.6913 0.7779 0.4821 0.082 Uiso 1 1 calc R . .
C31 C 0.7746(19) 0.8582(7) 0.5917(8) 0.165(7) Uani 1 1 d . . .
H31A H 0.6959 0.8510 0.6156 0.247 Uiso 1 1 calc R . .
H31B H 0.7794 0.9198 0.5631 0.247 Uiso 1 1 calc R . .
H31C H 0.8489 0.8552 0.6392 0.247 Uiso 1 1 calc R . .
C32 C 0.8842(13) 0.7996(9) 0.4755(8) 0.125(4) Uani 1 1 d . . .
H32A H 0.9663 0.7986 0.5162 0.187 Uiso 1 1 calc R . .
H32B H 0.8774 0.8625 0.4492 0.187 Uiso 1 1 calc R . .
H32C H 0.8789 0.7510 0.4293 0.187 Uiso 1 1 calc R . .
N1 N 0.3750(5) 0.8657(4) 0.0418(3) 0.0428(12) Uani 1 1 d . . .
N2 N 0.4156(5) 0.9217(4) 0.1184(3) 0.0458(13) Uani 1 1 d . . .
N3 N 0.7065(5) 0.9404(4) 0.0593(3) 0.0465(13) Uani 1 1 d . . .
N4 N 0.6436(5) 0.8798(4) -0.0126(3) 0.0455(13) Uani 1 1 d . . .
N5 N 0.5718(5) 0.4881(4) 0.3636(4) 0.0485(13) Uani 1 1 d . . .
N6 N 0.6062(6) 0.4043(4) 0.4070(4) 0.0516(14) Uani 1 1 d . . .
N7 N 0.6844(5) 0.6138(4) 0.5461(4) 0.0489(13) Uani 1 1 d . . .
N8 N 0.7073(5) 0.5287(4) 0.5914(4) 0.0481(13) Uani 1 1 d . . .
P1 P 0.6778(2) 0.39209(17) 0.25409(14) 0.0676(6) Uani 1 1 d . . .
P2 P 0.2858(2) 0.76900(14) 0.16291(13) 0.0623(5) Uani 1 1 d . . .
P3 P 0.8552(2) 0.79829(15) 0.05267(15) 0.0624(5) Uani 1 1 d . . .
P4 P 0.9091(2) 0.64559(17) 0.65159(17) 0.0775(7) Uani 1 1 d . . .
Sb1 Sb 0.45052(4) 0.93856(3) -0.07162(3) 0.04345(15) Uani 1 1 d . . .
Sb2 Sb 0.46917(4) 0.57981(3) 0.44960(3) 0.04751(16) Uani 1 1 d . . .


_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
C1 C2 1.515(11) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C4 1.500(9) . ?
C2 C3 1.514(10) . ?
C2 H2 0.9800 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 N4 1.330(8) . ?
C4 P3 1.750(7) . ?
C5 N3 1.327(8) . ?
C5 C6 1.503(10) . ?
C5 P3 1.764(7) . ?
C6 C7 1.519(11) . ?
C6 C8 1.535(12) . ?
C6 H6 0.9800 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C11 1.486(13) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.514(14) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.510(9) . ?
C11 H11 0.9800 . ?
C12 N2 1.323(8) . ?
C12 P2 1.759(7) . ?
C13 N1 1.333(8) . ?
C13 C14 1.517(9) . ?
C13 P2 1.733(6) . ?
C14 C16 1.493(10) . ?
C14 C15 1.520(10) . ?
C14 H14 0.9800 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.507(12) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C19 1.477(13) . ?
C18 C20 1.490(10) . ?
C18 H18 0.9800 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 N5 1.343(8) . ?
C20 P1 1.740(7) . ?
C21 N6 1.332(9) . ?
C21 C22 1.531(11) . ?
C21 P1 1.742(8) . ?
C22 C23 1.495(16) . ?
C22 C24 1.519(13) . ?
C22 H22 0.9800 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.502(14) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 C27 1.492(11) . ?
C26 C28 1.493(10) . ?
C26 H26 0.9800 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 N8 1.324(8) . ?
C28 P4 1.741(8) . ?
C29 N7 1.319(9) . ?
C29 C30 1.500(10) . ?
C29 P4 1.762(7) . ?
C30 C31 1.480(13) . ?
C30 C32 1.510(14) . ?
C30 H30 0.9800 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
N1 N2 1.373(7) . ?
N1 Sb1 2.248(5) . ?
N2 Sb1 2.488(5) 2_675 ?
N3 N4 1.401(7) . ?
N3 Sb1 2.456(5) 2_675 ?
N4 Sb1 2.258(5) . ?
N5 N6 1.374(7) . ?
N5 Sb2 2.275(5) . ?
N6 Sb2 2.474(6) 2_666 ?
N7 N8 1.380(7) . ?
N7 Sb2 2.453(5) . ?
N8 Sb2 2.276(5) 2_666 ?
Sb1 N3 2.456(5) 2_675 ?
Sb1 N2 2.488(5) 2_675 ?
Sb1 Sb1 2.7451(8) 2_675 ?
Sb2 N8 2.276(5) 2_666 ?
Sb2 N6 2.474(6) 2_666 ?
Sb2 Sb2 2.7407(8) 2_666 ?

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 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C4 C2 C3 112.3(6) . . ?
C4 C2 C1 110.0(6) . . ?
C3 C2 C1 109.1(7) . . ?
C4 C2 H2 108.4 . . ?
C3 C2 H2 108.4 . . ?
C1 C2 H2 108.4 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
N4 C4 C2 118.9(6) . . ?
N4 C4 P3 113.5(5) . . ?
C2 C4 P3 127.5(5) . . ?
N3 C5 C6 118.5(6) . . ?
N3 C5 P3 114.0(5) . . ?
C6 C5 P3 127.4(5) . . ?
C5 C6 C7 110.6(7) . . ?
C5 C6 C8 110.6(7) . . ?
C7 C6 C8 109.7(7) . . ?
C5 C6 H6 108.6 . . ?
C7 C6 H6 108.6 . . ?
C8 C6 H6 108.6 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C11 C9 H9A 109.5 . . ?
C11 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C11 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 H10A 109.5 . . ?
C11 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C11 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 C12 110.7(7) . . ?
C9 C11 C10 112.6(8) . . ?
C12 C11 C10 110.9(8) . . ?
C9 C11 H11 107.5 . . ?
C12 C11 H11 107.5 . . ?
C10 C11 H11 107.5 . . ?
N2 C12 C11 117.5(6) . . ?
N2 C12 P2 113.4(5) . . ?
C11 C12 P2 129.1(5) . . ?
N1 C13 C14 119.3(6) . . ?
N1 C13 P2 112.7(5) . . ?
C14 C13 P2 127.9(5) . . ?
C16 C14 C13 111.2(6) . . ?
C16 C14 C15 110.8(7) . . ?
C13 C14 C15 111.6(6) . . ?
C16 C14 H14 107.7 . . ?
C13 C14 H14 107.7 . . ?
C15 C14 H14 107.7 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 H17A 109.5 . . ?
C18 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C18 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 C20 111.7(7) . . ?
C19 C18 C17 109.5(8) . . ?
C20 C18 C17 111.8(7) . . ?
C19 C18 H18 107.9 . . ?
C20 C18 H18 107.9 . . ?
C17 C18 H18 107.9 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N5 C20 C18 119.0(6) . . ?
N5 C20 P1 113.0(5) . . ?
C18 C20 P1 128.0(5) . . ?
N6 C21 C22 118.4(7) . . ?
N6 C21 P1 113.9(5) . . ?
C22 C21 P1 127.7(6) . . ?
C23 C22 C24 109.2(9) . . ?
C23 C22 C21 111.5(8) . . ?
C24 C22 C21 110.0(8) . . ?
C23 C22 H22 108.7 . . ?
C24 C22 H22 108.7 . . ?
C21 C22 H22 108.7 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C26 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C26 C28 113.9(7) . . ?
C27 C26 C25 109.2(8) . . ?
C28 C26 C25 110.0(8) . . ?
C27 C26 H26 107.9 . . ?
C28 C26 H26 107.9 . . ?
C25 C26 H26 107.9 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N8 C28 C26 118.9(7) . . ?
N8 C28 P4 113.6(5) . . ?
C26 C28 P4 127.4(6) . . ?
N7 C29 C30 120.2(7) . . ?
N7 C29 P4 113.4(5) . . ?
C30 C29 P4 126.4(6) . . ?
C31 C30 C29 111.5(7) . . ?
C31 C30 C32 109.8(10) . . ?
C29 C30 C32 111.6(8) . . ?
C31 C30 H30 108.0 . . ?
C29 C30 H30 108.0 . . ?
C32 C30 H30 108.0 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C13 N1 N2 114.1(5) . . ?
C13 N1 Sb1 136.6(4) . . ?
N2 N1 Sb1 109.2(4) . . ?
C12 N2 N1 112.2(5) . . ?
C12 N2 Sb1 143.3(4) . 2_675 ?
N1 N2 Sb1 104.4(4) . 2_675 ?
C5 N3 N4 111.9(5) . . ?
C5 N3 Sb1 143.4(4) . 2_675 ?
N4 N3 Sb1 104.3(3) . 2_675 ?
C4 N4 N3 113.3(5) . . ?
C4 N4 Sb1 137.8(4) . . ?
N3 N4 Sb1 108.7(4) . . ?
C20 N5 N6 113.2(5) . . ?
C20 N5 Sb2 136.9(4) . . ?
N6 N5 Sb2 109.8(4) . . ?
C21 N6 N5 112.3(6) . . ?
C21 N6 Sb2 144.0(5) . 2_666 ?
N5 N6 Sb2 103.6(4) . 2_666 ?
C29 N7 N8 112.7(6) . . ?
C29 N7 Sb2 143.0(5) . . ?
N8 N7 Sb2 104.3(4) . . ?
C28 N8 N7 113.2(6) . . ?
C28 N8 Sb2 137.6(5) . 2_666 ?
N7 N8 Sb2 109.1(4) . 2_666 ?
C20 P1 C21 87.6(3) . . ?
C13 P2 C12 87.6(3) . . ?
C4 P3 C5 87.2(3) . . ?
C28 P4 C29 87.0(3) . . ?
N1 Sb1 N4 85.88(19) . . ?
N1 Sb1 N3 85.17(19) . 2_675 ?
N4 Sb1 N3 146.85(17) . 2_675 ?
N1 Sb1 N2 146.41(16) . 2_675 ?
N4 Sb1 N2 85.56(19) . 2_675 ?
N3 Sb1 N2 84.49(18) 2_675 2_675 ?
N1 Sb1 Sb1 76.80(12) . 2_675 ?
N4 Sb1 Sb1 76.27(13) . 2_675 ?
N3 Sb1 Sb1 70.62(12) 2_675 2_675 ?
N2 Sb1 Sb1 69.62(11) 2_675 2_675 ?
N5 Sb2 N8 86.4(2) . 2_666 ?
N5 Sb2 N7 86.47(19) . . ?
N8 Sb2 N7 146.54(17) 2_666 . ?
N5 Sb2 N6 146.55(18) . 2_666 ?
N8 Sb2 N6 85.9(2) 2_666 2_666 ?
N7 Sb2 N6 82.32(19) . 2_666 ?
N5 Sb2 Sb2 75.71(14) . 2_666 ?
N8 Sb2 Sb2 75.63(13) 2_666 2_666 ?
N7 Sb2 Sb2 70.93(13) . 2_666 ?
N6 Sb2 Sb2 70.84(12) 2_666 2_666 ?

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
C3 C2 C4 N4 -163.7(7) . . . . ?
C1 C2 C4 N4 74.5(9) . . . . ?
C3 C2 C4 P3 19.0(9) . . . . ?
C1 C2 C4 P3 -102.8(7) . . . . ?
N3 C5 C6 C7 125.3(8) . . . . ?
P3 C5 C6 C7 -57.2(10) . . . . ?
N3 C5 C6 C8 -112.9(8) . . . . ?
P3 C5 C6 C8 64.6(9) . . . . ?
C9 C11 C12 N2 -73.3(9) . . . . ?
C10 C11 C12 N2 161.0(8) . . . . ?
C9 C11 C12 P2 104.8(9) . . . . ?
C10 C11 C12 P2 -20.9(11) . . . . ?
N1 C13 C14 C16 -70.8(8) . . . . ?
P2 C13 C14 C16 107.9(7) . . . . ?
N1 C13 C14 C15 165.0(7) . . . . ?
P2 C13 C14 C15 -16.3(10) . . . . ?
C19 C18 C20 N5 73.6(10) . . . . ?
C17 C18 C20 N5 -163.3(8) . . . . ?
C19 C18 C20 P1 -104.2(9) . . . . ?
C17 C18 C20 P1 18.9(11) . . . . ?
N6 C21 C22 C23 56.0(11) . . . . ?
P1 C21 C22 C23 -124.0(9) . . . . ?
N6 C21 C22 C24 177.3(8) . . . . ?
P1 C21 C22 C24 -2.7(12) . . . . ?
C27 C26 C28 N8 -154.5(8) . . . . ?
C25 C26 C28 N8 82.5(10) . . . . ?
C27 C26 C28 P4 27.9(11) . . . . ?
C25 C26 C28 P4 -95.0(10) . . . . ?
N7 C29 C30 C31 118.0(11) . . . . ?
P4 C29 C30 C31 -61.6(12) . . . . ?
N7 C29 C30 C32 -118.9(9) . . . . ?
P4 C29 C30 C32 61.5(10) . . . . ?
C14 C13 N1 N2 178.6(5) . . . . ?
P2 C13 N1 N2 -0.3(7) . . . . ?
C14 C13 N1 Sb1 -3.4(9) . . . . ?
P2 C13 N1 Sb1 177.7(4) . . . . ?
C11 C12 N2 N1 177.4(6) . . . . ?
P2 C12 N2 N1 -1.0(7) . . . . ?
C11 C12 N2 Sb1 3.5(11) . . . 2_675 ?
P2 C12 N2 Sb1 -174.9(4) . . . 2_675 ?
C13 N1 N2 C12 0.8(8) . . . . ?
Sb1 N1 N2 C12 -177.7(4) . . . . ?
C13 N1 N2 Sb1 177.1(4) . . . 2_675 ?
Sb1 N1 N2 Sb1 -1.5(4) . . . 2_675 ?
C6 C5 N3 N4 177.1(6) . . . . ?
P3 C5 N3 N4 -0.7(7) . . . . ?
C6 C5 N3 Sb1 -12.2(11) . . . 2_675 ?
P3 C5 N3 Sb1 170.0(5) . . . 2_675 ?
C2 C4 N4 N3 -177.6(5) . . . . ?
P3 C4 N4 N3 0.0(7) . . . . ?
C2 C4 N4 Sb1 6.7(10) . . . . ?
P3 C4 N4 Sb1 -175.7(4) . . . . ?
C5 N3 N4 C4 0.5(8) . . . . ?
Sb1 N3 N4 C4 -173.8(4) 2_675 . . . ?
C5 N3 N4 Sb1 177.4(4) . . . . ?
Sb1 N3 N4 Sb1 3.1(4) 2_675 . . . ?
C18 C20 N5 N6 -178.2(6) . . . . ?
P1 C20 N5 N6 -0.1(8) . . . . ?
C18 C20 N5 Sb2 4.7(11) . . . . ?
P1 C20 N5 Sb2 -177.2(4) . . . . ?
C22 C21 N6 N5 -179.3(7) . . . . ?
P1 C21 N6 N5 0.7(8) . . . . ?
C22 C21 N6 Sb2 -1.8(13) . . . 2_666 ?
P1 C21 N6 Sb2 178.2(5) . . . 2_666 ?
C20 N5 N6 C21 -0.4(8) . . . . ?
Sb2 N5 N6 C21 177.5(5) . . . . ?
C20 N5 N6 Sb2 -178.8(5) . . . 2_666 ?
Sb2 N5 N6 Sb2 -1.0(4) . . . 2_666 ?
C30 C29 N7 N8 179.1(7) . . . . ?
P4 C29 N7 N8 -1.2(8) . . . . ?
C30 C29 N7 Sb2 -1.1(12) . . . . ?
P4 C29 N7 Sb2 178.6(4) . . . . ?
C26 C28 N8 N7 -178.2(6) . . . . ?
P4 C28 N8 N7 -0.3(8) . . . . ?
C26 C28 N8 Sb2 6.3(11) . . . 2_666 ?
P4 C28 N8 Sb2 -175.8(4) . . . 2_666 ?
C29 N7 N8 C28 1.0(8) . . . . ?
Sb2 N7 N8 C28 -178.9(5) . . . . ?
C29 N7 N8 Sb2 177.7(5) . . . 2_666 ?
Sb2 N7 N8 Sb2 -2.1(4) . . . 2_666 ?
N5 C20 P1 C21 0.4(6) . . . . ?
C18 C20 P1 C21 178.3(7) . . . . ?
N6 C21 P1 C20 -0.6(6) . . . . ?
C22 C21 P1 C20 179.4(8) . . . . ?
N1 C13 P2 C12 -0.2(5) . . . . ?
C14 C13 P2 C12 -179.0(6) . . . . ?
N2 C12 P2 C13 0.7(5) . . . . ?
C11 C12 P2 C13 -177.5(7) . . . . ?
N4 C4 P3 C5 -0.3(5) . . . . ?
C2 C4 P3 C5 177.1(6) . . . . ?
N3 C5 P3 C4 0.6(5) . . . . ?
C6 C5 P3 C4 -177.0(7) . . . . ?
N8 C28 P4 C29 -0.3(6) . . . . ?
C26 C28 P4 C29 177.4(8) . . . . ?
N7 C29 P4 C28 0.8(6) . . . . ?
C30 C29 P4 C28 -179.5(7) . . . . ?
C13 N1 Sb1 N4 -99.9(6) . . . . ?
N2 N1 Sb1 N4 78.2(4) . . . . ?
C13 N1 Sb1 N3 112.0(6) . . . 2_675 ?
N2 N1 Sb1 N3 -69.9(4) . . . 2_675 ?
C13 N1 Sb1 N2 -175.5(5) . . . 2_675 ?
N2 N1 Sb1 N2 2.6(7) . . . 2_675 ?
C13 N1 Sb1 Sb1 -176.8(6) . . . 2_675 ?
N2 N1 Sb1 Sb1 1.3(3) . . . 2_675 ?
C4 N4 Sb1 N1 95.6(7) . . . . ?
N3 N4 Sb1 N1 -80.2(4) . . . . ?
C4 N4 Sb1 N3 170.3(5) . . . 2_675 ?
N3 N4 Sb1 N3 -5.5(7) . . . 2_675 ?
C4 N4 Sb1 N2 -116.9(7) . . . 2_675 ?
N3 N4 Sb1 N2 67.3(4) . . . 2_675 ?
C4 N4 Sb1 Sb1 173.0(7) . . . 2_675 ?
N3 N4 Sb1 Sb1 -2.8(4) . . . 2_675 ?
C20 N5 Sb2 N8 101.9(7) . . . 2_666 ?
N6 N5 Sb2 N8 -75.2(4) . . . 2_666 ?
C20 N5 Sb2 N7 -110.8(7) . . . . ?
N6 N5 Sb2 N7 72.1(4) . . . . ?
C20 N5 Sb2 N6 178.9(6) . . . 2_666 ?
N6 N5 Sb2 N6 1.7(7) . . . 2_666 ?
C20 N5 Sb2 Sb2 178.0(7) . . . 2_666 ?
N6 N5 Sb2 Sb2 0.9(4) . . . 2_666 ?
C29 N7 Sb2 N5 105.9(8) . . . . ?
N8 N7 Sb2 N5 -74.3(4) . . . . ?
C29 N7 Sb2 N8 -176.1(7) . . . 2_666 ?
N8 N7 Sb2 N8 3.6(7) . . . 2_666 ?
C29 N7 Sb2 N6 -105.7(8) . . . 2_666 ?
N8 N7 Sb2 N6 74.1(4) . . . 2_666 ?
C29 N7 Sb2 Sb2 -178.0(8) . . . 2_666 ?
N8 N7 Sb2 Sb2 1.8(3) . . . 2_666 ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.68
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.814
_refine_diff_density_min         -0.947
_refine_diff_density_rms         0.137
####################################################################### 
# 
# 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_151203-2a
_database_code_depnum_ccdc_archive 'CCDC 1457799'
_audit_update_record             
;
2016-05-21 deposited with the CCDC.
2016-06-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C63 H96 N8 P4 Sb2'
_chemical_formula_weight         1332.86

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'
Sb Sb -0.5866 1.5461 '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                   10.9130(3)
_cell_length_b                   11.8061(3)
_cell_length_c                   16.0228(4)
_cell_angle_alpha                102.330(2)
_cell_angle_beta                 106.292(2)
_cell_angle_gamma                104.337(2)
_cell_volume                     1828.71(8)
_cell_formula_units_Z            1
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    12152
_cell_measurement_theta_min      3.1950
_cell_measurement_theta_max      27.7110

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.210
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             692
_exptl_absorpt_coefficient_mu    0.865
_exptl_absorpt_correction_T_min  0.64398
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.779
_oxdiff_exptl_absorpt_empirical_full_max 1.459
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_diffrn_ambient_temperature      298(2)
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Eos
_diffrn_detector_area_resol_mean 16.0251
_diffrn_measurement_method       'ω scans'
_diffrn_standards_number         48107
_diffrn_standards_interval_count 1.00
_diffrn_standards_interval_time  5.93
_diffrn_standards_decay_%        none
_diffrn_reflns_number            42583
_diffrn_reflns_av_R_equivalents  0.0386
_diffrn_reflns_av_unetI/netI     0.0321
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.84
_diffrn_reflns_theta_max         25.68
_reflns_number_total             6954
_reflns_number_gt                5862
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_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)+(0.0745P)²+1.3543P] 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         6954
_refine_ls_number_parameters     367
_refine_ls_number_restraints     80
_refine_ls_R_factor_all          0.0535
_refine_ls_R_factor_gt           0.0423
_refine_ls_wR_factor_ref         0.1307
_refine_ls_wR_factor_gt          0.1216
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_restrained_S_all      1.113
_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
C1 C 0.7852(5) 0.8062(5) 0.5823(4) 0.0767(16) Uani 1 1 d . . .
H1A H 0.7690 0.8461 0.5351 0.092 Uiso 1 1 calc R . .
H1B H 0.8772 0.8047 0.5971 0.092 Uiso 1 1 calc R . .
C2 C 0.7718(6) 0.8816(7) 0.6664(5) 0.098(2) Uani 1 1 d . . .
H2A H 0.8026 0.8501 0.7169 0.117 Uiso 1 1 calc R . .
H2B H 0.8295 0.9659 0.6829 0.117 Uiso 1 1 calc R . .
C3 C 0.6317(6) 0.8788(5) 0.6521(4) 0.0776(16) Uani 1 1 d . . .
H3A H 0.6059 0.9221 0.6085 0.093 Uiso 1 1 calc R . .
H3B H 0.6265 0.9213 0.7093 0.093 Uiso 1 1 calc R . .
C4 C 0.5346(7) 0.7508(6) 0.6176(5) 0.0844(18) Uani 1 1 d . . .
H4A H 0.4432 0.7527 0.6060 0.101 Uiso 1 1 calc R . .
H4B H 0.5546 0.7091 0.6632 0.101 Uiso 1 1 calc R . .
C5 C 0.5465(5) 0.6812(5) 0.5291(4) 0.0751(16) Uani 1 1 d . . .
H5A H 0.5220 0.7208 0.4827 0.090 Uiso 1 1 calc R . .
H5B H 0.4844 0.5978 0.5070 0.090 Uiso 1 1 calc R . .
C6 C 0.6918(5) 0.6791(4) 0.5458(3) 0.0518(11) Uani 1 1 d . . .
H6 H 0.7137 0.6382 0.5925 0.062 Uiso 1 1 calc R . .
C7 C 0.7065(4) 0.6081(4) 0.4608(3) 0.0461(9) Uani 1 1 d . . .
C8 C 0.7116(4) 0.5022(4) 0.3158(3) 0.0467(10) Uani 1 1 d . . .
C9 C 0.6993(5) 0.4360(4) 0.2213(3) 0.0545(11) Uani 1 1 d . . .
H9 H 0.7859 0.4236 0.2250 0.065 Uiso 1 1 calc R . .
C10 C 0.5941(10) 0.3133(6) 0.1852(5) 0.119(3) Uani 1 1 d . . .
H10A H 0.5082 0.3224 0.1851 0.143 Uiso 1 1 calc R . .
H10B H 0.6175 0.2643 0.2248 0.143 Uiso 1 1 calc R . .
C11 C 0.5801(12) 0.2463(7) 0.0876(6) 0.151(4) Uani 1 1 d . . .
H11A H 0.6605 0.2241 0.0898 0.181 Uiso 1 1 calc R . .
H11B H 0.5036 0.1710 0.0639 0.181 Uiso 1 1 calc R . .
C12 C 0.5608(8) 0.3206(9) 0.0243(5) 0.121(3) Uani 1 1 d . . .
H12A H 0.5642 0.2779 -0.0334 0.145 Uiso 1 1 calc R . .
H12B H 0.4722 0.3299 0.0128 0.145 Uiso 1 1 calc R . .
C13 C 0.6603(8) 0.4376(7) 0.0599(4) 0.099(2) Uani 1 1 d . . .
H13A H 0.6393 0.4852 0.0187 0.119 Uiso 1 1 calc R . .
H13B H 0.7470 0.4283 0.0625 0.119 Uiso 1 1 calc R . .
C14 C 0.6719(8) 0.5090(6) 0.1556(4) 0.0838(18) Uani 1 1 d . . .
H14A H 0.7446 0.5868 0.1774 0.101 Uiso 1 1 calc R . .
H14B H 0.5885 0.5262 0.1525 0.101 Uiso 1 1 calc R . .
C15 C 1.0634(7) 0.6512(9) 0.2409(4) 0.114(3) Uani 1 1 d . . .
H15A H 1.0607 0.7338 0.2463 0.137 Uiso 1 1 calc R . .
H15B H 0.9836 0.6046 0.2494 0.137 Uiso 1 1 calc R . .
C16 C 1.0606(8) 0.5917(10) 0.1443(5) 0.134(4) Uani 1 1 d . . .
H16A H 1.0486 0.5052 0.1355 0.160 Uiso 1 1 calc R . .
H16B H 0.9841 0.5981 0.0993 0.160 Uiso 1 1 calc R . .
C17 C 1.1825(9) 0.6491(11) 0.1305(5) 0.134(4) Uani 1 1 d . . .
H17A H 1.1805 0.6013 0.0725 0.161 Uiso 1 1 calc R . .
H17B H 1.1829 0.7297 0.1258 0.161 Uiso 1 1 calc R . .
C18 C 1.3059(8) 0.6629(11) 0.1993(5) 0.140(4) Uani 1 1 d . . .
H18A H 1.3816 0.7109 0.1875 0.168 Uiso 1 1 calc R . .
H18B H 1.3150 0.5828 0.1975 0.168 Uiso 1 1 calc R . .
C34 C 0.9045(14) 0.1212(12) 0.0002(11) 0.192(12) Uani 0.50 1 d PGD . .
C29 C 0.9501(18) 0.1823(14) 0.0931(11) 0.189(7) Uani 0.50 1 d PGDU . .
H29 H 0.8927 0.1690 0.1259 0.227 Uiso 0.50 1 calc PR . .
C30 C 1.0814(19) 0.2635(14) 0.1369(11) 0.192(7) Uani 0.50 1 d PGU . .
H30 H 1.1119 0.3044 0.1990 0.230 Uiso 0.50 1 calc PR . .
C31 C 1.1671(15) 0.2834(13) 0.0878(14) 0.193(6) Uani 0.50 1 d PGU . .
H31 H 1.2549 0.3377 0.1171 0.231 Uiso 0.50 1 calc PR . .
C32 C 1.1215(16) 0.2223(15) -0.0051(14) 0.193(7) Uani 0.50 1 d PGU . .
H32 H 1.1788 0.2357 -0.0380 0.231 Uiso 0.50 1 calc PR . .
C33 C 0.9902(17) 0.1412(14) -0.0489(10) 0.193(7) Uani 0.50 1 d PGDU . .
H33 H 0.9596 0.1003 -0.1111 0.232 Uiso 0.50 1 calc PR . .
C19 C 1.3084(7) 0.7287(7) 0.2966(5) 0.0935(18) Uani 1 1 d U . .
H19A H 1.3899 0.7327 0.3432 0.112 Uiso 1 1 calc R . .
H19B H 1.3083 0.8118 0.3006 0.112 Uiso 1 1 calc R . .
C20 C 1.1830(6) 0.6559(5) 0.3121(3) 0.0676(12) Uani 1 1 d U . .
H20 H 1.1842 0.5721 0.3075 0.081 Uiso 1 1 calc R . .
C21 C 1.1806(5) 0.7141(4) 0.4048(3) 0.0571(11) Uani 1 1 d U . .
C22 C 1.1803(5) 0.8275(4) 0.5487(3) 0.0507(10) Uani 1 1 d U . .
C23 C 1.1916(5) 0.9113(4) 0.6372(3) 0.0560(10) Uani 1 1 d U . .
H23 H 1.1341 0.8641 0.6636 0.067 Uiso 1 1 calc R . .
C24 C 1.1446(6) 1.0191(5) 0.6244(4) 0.0741(13) Uani 1 1 d U . .
H24A H 1.0510 0.9889 0.5838 0.089 Uiso 1 1 calc R . .
H24B H 1.1983 1.0654 0.5962 0.089 Uiso 1 1 calc R . .
C25 C 1.1575(6) 1.1034(6) 0.7154(4) 0.0868(16) Uani 1 1 d U . .
H25A H 1.1310 1.1734 0.7053 0.104 Uiso 1 1 calc R . .
H25B H 1.0969 1.0594 0.7406 0.104 Uiso 1 1 calc R . .
C26 C 1.3001(7) 1.1478(6) 0.7824(5) 0.0897(16) Uani 1 1 d U . .
H26A H 1.3592 1.2000 0.7605 0.108 Uiso 1 1 calc R . .
H26B H 1.3038 1.1963 0.8407 0.108 Uiso 1 1 calc R . .
C27 C 1.3481(7) 1.0436(6) 0.7949(4) 0.0911(16) Uani 1 1 d U . .
H27A H 1.2953 0.9968 0.8232 0.109 Uiso 1 1 calc R . .
H27B H 1.4417 1.0750 0.8354 0.109 Uiso 1 1 calc R . .
C28 C 1.3362(6) 0.9602(5) 0.7049(4) 0.0764(14) Uani 1 1 d U . .
H28A H 1.3657 0.8918 0.7155 0.092 Uiso 1 1 calc R . .
H28B H 1.3952 1.0052 0.6791 0.092 Uiso 1 1 calc R . .
C35 C 0.7645(16) 0.0305(19) -0.0464(16) 0.172(10) Uani 0.50 1 d PD . .
H35A H 0.7576 -0.0384 -0.0231 0.259 Uiso 0.50 1 calc PR . .
H35B H 0.7458 0.0029 -0.1109 0.259 Uiso 0.50 1 calc PR . .
H35C H 0.7003 0.0689 -0.0350 0.259 Uiso 0.50 1 calc PR . .
N1 N 1.1208(3) 0.7080(3) 0.5277(2) 0.0434(8) Uani 1 1 d . . .
N2 N 1.1203(4) 0.6433(3) 0.4457(2) 0.0454(8) Uani 1 1 d . . .
N3 N 0.8071(3) 0.5626(3) 0.4688(2) 0.0431(8) Uani 1 1 d . . .
N4 N 0.8106(3) 0.5024(3) 0.3864(2) 0.0457(8) Uani 1 1 d . . .
P1 P 0.60556(14) 0.57897(15) 0.34730(9) 0.0645(4) Uani 1 1 d . . .
P2 P 1.2442(2) 0.86974(13) 0.46687(12) 0.0815(5) Uani 1 1 d . . .
Sb1 Sb 0.99739(3) 0.56164(2) 0.581925(16) 0.04105(12) Uani 1 1 d . . .


_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
C1 C6 1.472(7) . ?
C1 C2 1.515(8) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C3 1.472(8) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.495(8) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C5 1.537(8) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.540(7) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 C7 1.511(6) . ?
C6 H6 0.9800 . ?
C7 N3 1.324(5) . ?
C7 P1 1.750(4) . ?
C8 N4 1.326(5) . ?
C8 C9 1.501(6) . ?
C8 P1 1.751(4) . ?
C9 C10 1.482(8) . ?
C9 C14 1.509(7) . ?
C9 H9 0.9800 . ?
C10 C11 1.539(10) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.481(13) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.409(11) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.538(8) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C20 1.451(9) . ?
C15 C16 1.545(10) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C17 1.436(11) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.427(11) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 C19 1.576(11) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C34 C29 1.3900 . ?
C34 C33 1.3900 . ?
C34 C35 1.499(10) . ?
C29 C30 1.3900 . ?
C29 H29 0.9300 . ?
C30 C31 1.3900 . ?
C30 H30 0.9300 . ?
C31 C32 1.3900 . ?
C31 H31 0.9300 . ?
C32 C33 1.3900 . ?
C32 H32 0.9300 . ?
C33 H33 0.9300 . ?
C19 C20 1.541(8) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C21 1.508(7) . ?
C20 H20 0.9800 . ?
C21 N2 1.329(6) . ?
C21 P2 1.746(5) . ?
C22 N1 1.321(5) . ?
C22 C23 1.499(6) . ?
C22 P2 1.753(5) . ?
C23 C24 1.517(7) . ?
C23 C28 1.525(7) . ?
C23 H23 0.9800 . ?
C24 C25 1.527(8) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 C26 1.506(9) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 C27 1.480(9) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 C28 1.513(8) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
N1 N2 1.369(4) . ?
N1 Sb1 2.387(3) . ?
N2 Sb1 2.320(3) 2_766 ?
N3 N4 1.376(4) . ?
N3 Sb1 2.346(3) . ?
N4 Sb1 2.360(3) 2_766 ?
Sb1 N2 2.320(3) 2_766 ?
Sb1 N4 2.360(3) 2_766 ?
Sb1 Sb1 2.7399(5) 2_766 ?

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
C6 C1 C2 113.8(5) . . ?
C6 C1 H1A 108.8 . . ?
C2 C1 H1A 108.8 . . ?
C6 C1 H1B 108.8 . . ?
C2 C1 H1B 108.8 . . ?
H1A C1 H1B 107.7 . . ?
C3 C2 C1 112.2(5) . . ?
C3 C2 H2A 109.2 . . ?
C1 C2 H2A 109.2 . . ?
C3 C2 H2B 109.2 . . ?
C1 C2 H2B 109.2 . . ?
H2A C2 H2B 107.9 . . ?
C2 C3 C4 112.2(5) . . ?
C2 C3 H3A 109.2 . . ?
C4 C3 H3A 109.2 . . ?
C2 C3 H3B 109.2 . . ?
C4 C3 H3B 109.2 . . ?
H3A C3 H3B 107.9 . . ?
C3 C4 C5 109.5(5) . . ?
C3 C4 H4A 109.8 . . ?
C5 C4 H4A 109.8 . . ?
C3 C4 H4B 109.8 . . ?
C5 C4 H4B 109.8 . . ?
H4A C4 H4B 108.2 . . ?
C4 C5 C6 110.5(5) . . ?
C4 C5 H5A 109.5 . . ?
C6 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C6 C5 H5B 109.5 . . ?
H5A C5 H5B 108.1 . . ?
C1 C6 C7 112.0(4) . . ?
C1 C6 C5 108.9(4) . . ?
C7 C6 C5 112.1(4) . . ?
C1 C6 H6 107.9 . . ?
C7 C6 H6 107.9 . . ?
C5 C6 H6 107.9 . . ?
N3 C7 C6 119.4(4) . . ?
N3 C7 P1 113.1(3) . . ?
C6 C7 P1 127.5(3) . . ?
N4 C8 C9 118.8(4) . . ?
N4 C8 P1 113.5(3) . . ?
C9 C8 P1 127.7(3) . . ?
C10 C9 C8 111.6(5) . . ?
C10 C9 C14 110.0(5) . . ?
C8 C9 C14 112.5(4) . . ?
C10 C9 H9 107.5 . . ?
C8 C9 H9 107.5 . . ?
C14 C9 H9 107.5 . . ?
C9 C10 C11 111.5(6) . . ?
C9 C10 H10A 109.3 . . ?
C11 C10 H10A 109.3 . . ?
C9 C10 H10B 109.3 . . ?
C11 C10 H10B 109.3 . . ?
H10A C10 H10B 108.0 . . ?
C12 C11 C10 113.3(7) . . ?
C12 C11 H11A 108.9 . . ?
C10 C11 H11A 108.9 . . ?
C12 C11 H11B 108.9 . . ?
C10 C11 H11B 108.9 . . ?
H11A C11 H11B 107.7 . . ?
C13 C12 C11 111.8(6) . . ?
C13 C12 H12A 109.2 . . ?
C11 C12 H12A 109.2 . . ?
C13 C12 H12B 109.2 . . ?
C11 C12 H12B 109.2 . . ?
H12A C12 H12B 107.9 . . ?
C12 C13 C14 113.5(6) . . ?
C12 C13 H13A 108.9 . . ?
C14 C13 H13A 108.9 . . ?
C12 C13 H13B 108.9 . . ?
C14 C13 H13B 108.9 . . ?
H13A C13 H13B 107.7 . . ?
C9 C14 C13 110.6(5) . . ?
C9 C14 H14A 109.5 . . ?
C13 C14 H14A 109.5 . . ?
C9 C14 H14B 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 108.1 . . ?
C20 C15 C16 112.3(6) . . ?
C20 C15 H15A 109.1 . . ?
C16 C15 H15A 109.1 . . ?
C20 C15 H15B 109.1 . . ?
C16 C15 H15B 109.1 . . ?
H15A C15 H15B 107.9 . . ?
C17 C16 C15 111.9(7) . . ?
C17 C16 H16A 109.2 . . ?
C15 C16 H16A 109.2 . . ?
C17 C16 H16B 109.2 . . ?
C15 C16 H16B 109.2 . . ?
H16A C16 H16B 107.9 . . ?
C18 C17 C16 116.0(8) . . ?
C18 C17 H17A 108.3 . . ?
C16 C17 H17A 108.3 . . ?
C18 C17 H17B 108.3 . . ?
C16 C17 H17B 108.3 . . ?
H17A C17 H17B 107.4 . . ?
C17 C18 C19 110.5(7) . . ?
C17 C18 H18A 109.6 . . ?
C19 C18 H18A 109.6 . . ?
C17 C18 H18B 109.6 . . ?
C19 C18 H18B 109.6 . . ?
H18A C18 H18B 108.1 . . ?
C29 C34 C33 120.0 . . ?
C29 C34 C35 120.0 . . ?
C33 C34 C35 120.0 . . ?
C30 C29 C34 120.0 . . ?
C30 C29 H29 120.0 . . ?
C34 C29 H29 120.0 . . ?
C29 C30 C31 120.0 . . ?
C29 C30 H30 120.0 . . ?
C31 C30 H30 120.0 . . ?
C32 C31 C30 120.0 . . ?
C32 C31 H31 120.0 . . ?
C30 C31 H31 120.0 . . ?
C31 C32 C33 120.0 . . ?
C31 C32 H32 120.0 . . ?
C33 C32 H32 120.0 . . ?
C32 C33 C34 120.0 . . ?
C32 C33 H33 120.0 . . ?
C34 C33 H33 120.0 . . ?
C20 C19 C18 109.1(6) . . ?
C20 C19 H19A 109.9 . . ?
C18 C19 H19A 109.9 . . ?
C20 C19 H19B 109.9 . . ?
C18 C19 H19B 109.9 . . ?
H19A C19 H19B 108.3 . . ?
C15 C20 C21 110.2(5) . . ?
C15 C20 C19 108.3(5) . . ?
C21 C20 C19 111.5(5) . . ?
C15 C20 H20 108.9 . . ?
C21 C20 H20 108.9 . . ?
C19 C20 H20 108.9 . . ?
N2 C21 C20 119.0(4) . . ?
N2 C21 P2 113.4(3) . . ?
C20 C21 P2 127.6(4) . . ?
N1 C22 C23 119.7(4) . . ?
N1 C22 P2 113.6(3) . . ?
C23 C22 P2 126.7(3) . . ?
C22 C23 C24 112.3(4) . . ?
C22 C23 C28 111.3(4) . . ?
C24 C23 C28 108.8(4) . . ?
C22 C23 H23 108.1 . . ?
C24 C23 H23 108.1 . . ?
C28 C23 H23 108.1 . . ?
C23 C24 C25 111.4(5) . . ?
C23 C24 H24A 109.4 . . ?
C25 C24 H24A 109.4 . . ?
C23 C24 H24B 109.4 . . ?
C25 C24 H24B 109.4 . . ?
H24A C24 H24B 108.0 . . ?
C26 C25 C24 111.3(5) . . ?
C26 C25 H25A 109.4 . . ?
C24 C25 H25A 109.4 . . ?
C26 C25 H25B 109.4 . . ?
C24 C25 H25B 109.4 . . ?
H25A C25 H25B 108.0 . . ?
C27 C26 C25 111.2(5) . . ?
C27 C26 H26A 109.4 . . ?
C25 C26 H26A 109.4 . . ?
C27 C26 H26B 109.4 . . ?
C25 C26 H26B 109.4 . . ?
H26A C26 H26B 108.0 . . ?
C26 C27 C28 111.7(6) . . ?
C26 C27 H27A 109.3 . . ?
C28 C27 H27A 109.3 . . ?
C26 C27 H27B 109.3 . . ?
C28 C27 H27B 109.3 . . ?
H27A C27 H27B 107.9 . . ?
C27 C28 C23 111.6(5) . . ?
C27 C28 H28A 109.3 . . ?
C23 C28 H28A 109.3 . . ?
C27 C28 H28B 109.3 . . ?
C23 C28 H28B 109.3 . . ?
H28A C28 H28B 108.0 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C22 N1 N2 113.0(3) . . ?
C22 N1 Sb1 140.7(3) . . ?
N2 N1 Sb1 106.1(2) . . ?
C21 N2 N1 113.1(3) . . ?
C21 N2 Sb1 139.1(3) . 2_766 ?
N1 N2 Sb1 107.7(2) . 2_766 ?
C7 N3 N4 113.5(3) . . ?
C7 N3 Sb1 139.8(3) . . ?
N4 N3 Sb1 106.5(2) . . ?
C8 N4 N3 112.7(3) . . ?
C8 N4 Sb1 140.1(3) . 2_766 ?
N3 N4 Sb1 107.1(2) . 2_766 ?
C7 P1 C8 87.2(2) . . ?
C21 P2 C22 87.0(2) . . ?
N2 Sb1 N3 86.25(12) 2_766 . ?
N2 Sb1 N4 84.12(12) 2_766 2_766 ?
N3 Sb1 N4 146.31(11) . 2_766 ?
N2 Sb1 N1 146.15(11) 2_766 . ?
N3 Sb1 N1 84.55(12) . . ?
N4 Sb1 N1 85.72(12) 2_766 . ?
N2 Sb1 Sb1 74.02(8) 2_766 2_766 ?
N3 Sb1 Sb1 73.59(8) . 2_766 ?
N4 Sb1 Sb1 72.73(7) 2_766 2_766 ?
N1 Sb1 Sb1 72.13(7) . 2_766 ?

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
C6 C1 C2 C3 -53.1(9) . . . . ?
C1 C2 C3 C4 53.2(9) . . . . ?
C2 C3 C4 C5 -56.5(8) . . . . ?
C3 C4 C5 C6 58.5(7) . . . . ?
C2 C1 C6 C7 178.8(5) . . . . ?
C2 C1 C6 C5 54.3(7) . . . . ?
C4 C5 C6 C1 -57.2(6) . . . . ?
C4 C5 C6 C7 178.3(5) . . . . ?
C1 C6 C7 N3 79.6(6) . . . . ?
C5 C6 C7 N3 -157.6(4) . . . . ?
C1 C6 C7 P1 -98.9(5) . . . . ?
C5 C6 C7 P1 23.9(6) . . . . ?
N4 C8 C9 C10 99.7(6) . . . . ?
P1 C8 C9 C10 -78.2(7) . . . . ?
N4 C8 C9 C14 -136.1(5) . . . . ?
P1 C8 C9 C14 46.1(7) . . . . ?
C8 C9 C10 C11 179.1(7) . . . . ?
C14 C9 C10 C11 53.5(10) . . . . ?
C9 C10 C11 C12 -52.0(12) . . . . ?
C10 C11 C12 C13 51.7(12) . . . . ?
C11 C12 C13 C14 -53.9(10) . . . . ?
C10 C9 C14 C13 -55.0(8) . . . . ?
C8 C9 C14 C13 179.9(5) . . . . ?
C12 C13 C14 C9 56.5(9) . . . . ?
C20 C15 C16 C17 -53.1(12) . . . . ?
C15 C16 C17 C18 50.3(14) . . . . ?
C16 C17 C18 C19 -52.5(13) . . . . ?
C33 C34 C29 C30 0.0 . . . . ?
C35 C34 C29 C30 177.9(14) . . . . ?
C34 C29 C30 C31 0.0 . . . . ?
C29 C30 C31 C32 0.0 . . . . ?
C30 C31 C32 C33 0.0 . . . . ?
C31 C32 C33 C34 0.0 . . . . ?
C29 C34 C33 C32 0.0 . . . . ?
C35 C34 C33 C32 -177.9(14) . . . . ?
C17 C18 C19 C20 55.7(11) . . . . ?
C16 C15 C20 C21 -179.7(7) . . . . ?
C16 C15 C20 C19 58.1(9) . . . . ?
C18 C19 C20 C15 -59.2(8) . . . . ?
C18 C19 C20 C21 179.4(6) . . . . ?
C15 C20 C21 N2 88.7(7) . . . . ?
C19 C20 C21 N2 -151.0(5) . . . . ?
C15 C20 C21 P2 -88.8(7) . . . . ?
C19 C20 C21 P2 31.5(7) . . . . ?
N1 C22 C23 C24 -130.5(5) . . . . ?
P2 C22 C23 C24 51.7(6) . . . . ?
N1 C22 C23 C28 107.2(5) . . . . ?
P2 C22 C23 C28 -70.5(6) . . . . ?
C22 C23 C24 C25 -179.8(5) . . . . ?
C28 C23 C24 C25 -56.1(7) . . . . ?
C23 C24 C25 C26 56.2(8) . . . . ?
C24 C25 C26 C27 -55.1(9) . . . . ?
C25 C26 C27 C28 55.5(9) . . . . ?
C26 C27 C28 C23 -57.1(8) . . . . ?
C22 C23 C28 C27 -179.3(5) . . . . ?
C24 C23 C28 C27 56.5(7) . . . . ?
C23 C22 N1 N2 -178.9(4) . . . . ?
P2 C22 N1 N2 -0.9(5) . . . . ?
C23 C22 N1 Sb1 6.2(7) . . . . ?
P2 C22 N1 Sb1 -175.8(3) . . . . ?
C20 C21 N2 N1 -177.6(4) . . . . ?
P2 C21 N2 N1 0.2(5) . . . . ?
C20 C21 N2 Sb1 -1.2(8) . . . 2_766 ?
P2 C21 N2 Sb1 176.7(3) . . . 2_766 ?
C22 N1 N2 C21 0.4(5) . . . . ?
Sb1 N1 N2 C21 177.1(3) . . . . ?
C22 N1 N2 Sb1 -177.2(3) . . . 2_766 ?
Sb1 N1 N2 Sb1 -0.5(3) . . . 2_766 ?
C6 C7 N3 N4 -178.7(4) . . . . ?
P1 C7 N3 N4 0.0(5) . . . . ?
C6 C7 N3 Sb1 -4.1(7) . . . . ?
P1 C7 N3 Sb1 174.6(3) . . . . ?
C9 C8 N4 N3 -177.8(4) . . . . ?
P1 C8 N4 N3 0.3(5) . . . . ?
C9 C8 N4 Sb1 5.7(7) . . . 2_766 ?
P1 C8 N4 Sb1 -176.1(3) . . . 2_766 ?
C7 N3 N4 C8 -0.2(5) . . . . ?
Sb1 N3 N4 C8 -176.6(3) . . . . ?
C7 N3 N4 Sb1 177.4(3) . . . 2_766 ?
Sb1 N3 N4 Sb1 1.0(3) . . . 2_766 ?
N3 C7 P1 C8 0.1(4) . . . . ?
C6 C7 P1 C8 178.7(4) . . . . ?
N4 C8 P1 C7 -0.2(4) . . . . ?
C9 C8 P1 C7 177.7(4) . . . . ?
N2 C21 P2 C22 -0.6(4) . . . . ?
C20 C21 P2 C22 177.1(5) . . . . ?
N1 C22 P2 C21 0.8(4) . . . . ?
C23 C22 P2 C21 178.7(4) . . . . ?
C7 N3 Sb1 N2 109.8(5) . . . 2_766 ?
N4 N3 Sb1 N2 -75.3(3) . . . 2_766 ?
C7 N3 Sb1 N4 -176.6(4) . . . 2_766 ?
N4 N3 Sb1 N4 -1.8(4) . . . 2_766 ?
C7 N3 Sb1 N1 -102.8(5) . . . . ?
N4 N3 Sb1 N1 72.1(2) . . . . ?
C7 N3 Sb1 Sb1 -175.7(5) . . . 2_766 ?
N4 N3 Sb1 Sb1 -0.9(2) . . . 2_766 ?
C22 N1 Sb1 N2 176.0(4) . . . 2_766 ?
N2 N1 Sb1 N2 0.9(4) . . . 2_766 ?
C22 N1 Sb1 N3 101.1(5) . . . . ?
N2 N1 Sb1 N3 -74.0(2) . . . . ?
C22 N1 Sb1 N4 -111.2(5) . . . 2_766 ?
N2 N1 Sb1 N4 73.7(2) . . . 2_766 ?
C22 N1 Sb1 Sb1 175.6(5) . . . 2_766 ?
N2 N1 Sb1 Sb1 0.4(2) . . . 2_766 ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.68
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.699
_refine_diff_density_min         -0.495
_refine_diff_density_rms         0.091
