# 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_1a
_database_code_depnum_ccdc_archive 'CCDC 1450174'
_audit_update_record             
;
2016-01-27 deposited with the CCDC.
2016-03-09 downloaded from the CCDC.
;
_audit_creation_date             2015-04-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2013-2

#==============================================================================
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C88 H93 Cl Li N4 O4 P4 Pt Y, C4 H8 O'
_chemical_formula_sum            'C92 H101 Cl Li N4 O5 P4 Pt Y'
_chemical_formula_weight         1793.03
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 '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'
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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.302(3)
_cell_length_b                   15.181(3)
_cell_length_c                   22.663(5)
_cell_angle_alpha                99.59(3)
_cell_angle_beta                 98.88(3)
_cell_angle_gamma                99.85(3)
_cell_volume                     4366.3(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    44690
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.61
_cell_measurement_theta_min      1.58
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.418
_exptl_absorpt_correction_T_max  0.6757
_exptl_absorpt_correction_T_min  0.5077
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'STOE X-RED & X-SHAPE'
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.364
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1836
_exptl_crystal_size_max          0.353
_exptl_crystal_size_mid          0.244
_exptl_crystal_size_min          0.19
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0478
_diffrn_reflns_av_unetI/netI     0.0472
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            31469
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.515
_diffrn_reflns_theta_min         1.582
_diffrn_ambient_temperature      150
_diffrn_detector                 'image plate (34cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            'STOE image plate'
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device       'two-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_collimation    '0.5mm monocapillary'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube, 12x0.4mm long-fine focus'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13680
_reflns_number_total             15963
_reflns_special_details          
;
 Data were apparently pre-merged, so _diffrn_reflns_number
 etc. will have to be added later.
 
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       'STOE X-AREA, PLATON (A.L.Spek, 2005)'
_computing_data_reduction        'STOE X-RED, PLATON (A.L.Spek, 2005)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2008)'
_computing_molecular_graphics    'Diamond 2/3, Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'MS Word, Olex2 (Dolomanov et al., 2009)'
_refine_diff_density_max         1.255
_refine_diff_density_min         -1.449
_refine_diff_density_rms         0.093
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1092
_refine_ls_number_reflns         15963
_refine_ls_number_restraints     141
_refine_ls_R_factor_all          0.0451
_refine_ls_R_factor_gt           0.0368
_refine_ls_restrained_S_all      0.993
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0648P)²]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0918
_refine_ls_wR_factor_ref         0.0947
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
2. Restrained distances
 O3A-Li1
 2 with sigma of 0.02
3. Rigid bond restraints
 O2A, C77A, C78A, C79A, C80A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C77B \\sim C78B \\sim C79B \\sim C80B: within 1.7A with sigma of 0.04 and sigma
for terminal atoms of 0.08
Uanis(C87A) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(C87A) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(C87A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C88A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C88B) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O4A) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(C86B) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(O4A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C77A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C78A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Li1) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C82A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C82A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C81B) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C83B) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C84B) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C84A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C83A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C84A) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O3A) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C80B) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
5. Same fragment restrains
{O2B, C77B, C78B, C79A, C80B} sigma for 1-2: 0.02, 1-3: 0.02
as
{O1, C73, C74, C75, C76}
{O3A, C84B, C83B, C82B, C81B} sigma for 1-2: 0.02, 1-3: 0.02
as
{O3B, C81A, C82A, C83A, C84A}
6. Others
 Fixed Sof: O2A(0.33333) O3B(0.66667) C81A(0.66667) H81A(0.66667)
 H81B(0.66667) C82A(0.66667) H82A(0.66667) H82B(0.66667) C83A(0.66667)
 H83A(0.66667) H83B(0.66667) C84A(0.66667) H84A(0.66667) H84B(0.66667) O4B(0.5)
 C77A(0.33333) H77A(0.33333) H77B(0.33333) C78A(0.33333) H78A(0.33333)
 H78B(0.33333) O2B(0.66667) C77B(0.66667) H77C(0.66667) H77D(0.66667)
 C78B(0.66667) H78C(0.66667) H78D(0.66667) C79A(0.33333) H79A(0.33333)
 H79B(0.33333) C80B(0.66667) H80A(0.66667) H80B(0.66667) C80A(0.33333)
 H80C(0.33333) H80D(0.33333) C85A(0.5) H85A(0.5) H85B(0.5) C86A(0.5) H86A(0.5)
 H86B(0.5) C87A(0.5) H87A(0.5) H87B(0.5) C88A(0.5) H88A(0.5) H88B(0.5)
 O3A(0.33333) C84B(0.33333) H84C(0.33333) H84D(0.33333) C83B(0.33333)
 H83C(0.33333) H83D(0.33333) C82B(0.33333) H82C(0.33333) H82D(0.33333)
 C81B(0.33333) H81C(0.33333) H81D(0.33333) O4A(0.5) C79B(0.66667) H79C(0.66667)
 H79D(0.66667) C85B(0.5) H85C(0.5) H85D(0.5) C86B(0.5) H86C(0.5) H86D(0.5)
 C87B(0.5) H87C(0.5) H87D(0.5) C88B(0.5) H88C(0.5) H88D(0.5)
7.a Secondary CH2 refined with riding coordinates:
 C73(H73A,H73B), C74(H74A,H74B), C75(H75A,H75B), C76(H76A,H76B), C81A(H81A,
 H81B), C82A(H82A,H82B), C83A(H83A,H83B), C84A(H84A,H84B), C77A(H77A,H77B),
 C78A(H78A,H78B), C77B(H77C,H77D), C78B(H78C,H78D), C79A(H79A,H79B), C80B(H80A,
 H80B), C80A(H80C,H80D), C85A(H85A,H85B), C86A(H86A,H86B), C87A(H87A,H87B),
 C88A(H88A,H88B), C84B(H84C,H84D), C83B(H83C,H83D), C82B(H82C,H82D), C81B(H81C,
 H81D), C79B(H79C,H79D), C85B(H85C,H85D), C86B(H86C,H86D), C87B(H87C,H87D),
 C88B(H88C,H88D), C89(H89A,H89B), C90(H90A,H90B), C91(H91A,H91B), C92(H92A,H92B)
7.b Aromatic/amide H refined with riding coordinates:
 N4(H4), C3(H3), C2(H2), C6(H6), C5(H5), C9(H9), C4(H4A), C12(H12), C11(H11),
 C10(H10), C8(H8), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20),
 C21(H21), C22(H22), C23(H23), C24(H24), C26(H26), C27(H27), C28(H28), C29(H29),
  C30(H30), C32(H32), C33(H33), C34(H34), C35(H35), C36(H36), C38(H38),
 C39(H39), C40(H40), C41(H41), C42(H42), C44(H44), C45(H45), C46(H46), C47(H47),
  C48(H48), C50(H50), C51(H51), C52(H52), C53(H53), C54(H54), C56(H56),
 C57(H57), C58(H58), C59(H59), C60(H60), C62(H62), C63(H63), C64(H64), C65(H65),
  C66(H66), C68(H68), C69(H69), C70(H70), C71(H71), C72(H72)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.87426(2) 0.69207(2) 0.72992(2) 0.02515(5) Uani 1 1 d . . . . .
Y1 Y 0.81173(3) 0.50893(2) 0.76231(2) 0.02677(8) Uani 1 1 d . . . . .
Cl1 Cl 0.69440(10) 0.37239(8) 0.79489(5) 0.0477(3) Uani 1 1 d . . . . .
P1 P 0.83755(8) 0.58040(7) 0.64184(4) 0.0272(2) Uani 1 1 d . . . . .
P2 P 1.00068(8) 0.67550(7) 0.80887(4) 0.0270(2) Uani 1 1 d . . . . .
P3 P 0.72108(7) 0.68753(7) 0.76882(4) 0.0266(2) Uani 1 1 d . . . . .
P4 P 0.91381(9) 0.83002(7) 0.69648(4) 0.0311(2) Uani 1 1 d . . . . .
O1 O 0.9087(2) 0.38850(19) 0.73344(14) 0.0400(7) Uani 1 1 d D . . . .
C73 C 0.8583(4) 0.2947(3) 0.7063(2) 0.0469(11) Uani 1 1 d D . . . .
H73A H 0.8706 0.2777 0.6643 0.056 Uiso 1 1 calc R . . . .
H73B H 0.7826 0.2848 0.7055 0.056 Uiso 1 1 calc R . . . .
C74 C 0.9098(5) 0.2414(3) 0.7480(3) 0.0575(13) Uani 1 1 d D . . . .
H74A H 0.9106 0.1796 0.7258 0.069 Uiso 1 1 calc R . . . .
H74B H 0.8736 0.2356 0.7826 0.069 Uiso 1 1 calc R . . . .
C75 C 1.0211(4) 0.2981(4) 0.7704(3) 0.0549(13) Uani 1 1 d D . . . .
H75A H 1.0395 0.3112 0.8154 0.066 Uiso 1 1 calc R . . . .
H75B H 1.0723 0.2659 0.7535 0.066 Uiso 1 1 calc R . . . .
C76 C 1.0172(4) 0.3856(3) 0.7462(2) 0.0430(10) Uani 1 1 d D . . . .
H76A H 1.0562 0.4395 0.7770 0.052 Uiso 1 1 calc R . . . .
H76B H 1.0470 0.3840 0.7087 0.052 Uiso 1 1 calc R . . . .
N1 N 0.7637(3) 0.4880(2) 0.65606(14) 0.0301(7) Uani 1 1 d . . . . .
N2 N 0.9675(2) 0.5733(2) 0.82602(14) 0.0288(7) Uani 1 1 d . . . . .
N3 N 0.7110(3) 0.6020(2) 0.80706(14) 0.0289(7) Uani 1 1 d . . . . .
N4 N 0.8114(3) 0.8376(2) 0.64559(15) 0.0347(7) Uani 1 1 d . . . . .
H4 H 0.7635 0.7871 0.6351 0.042 Uiso 1 1 calc R . . . .
C1 C 0.7099(3) 0.4109(3) 0.61343(18) 0.0340(9) Uani 1 1 d . . . . .
C3 C 0.5798(4) 0.2696(3) 0.5928(2) 0.0453(11) Uani 1 1 d . . . . .
H3 H 0.5292 0.2297 0.6065 0.054 Uiso 1 1 calc R . . . .
C2 C 0.6326(3) 0.3505(3) 0.63125(19) 0.0375(9) Uani 1 1 d . . . . .
H2 H 0.6164 0.3657 0.6706 0.045 Uiso 1 1 calc R . . . .
C7 C 0.9502(3) 0.5470(3) 0.61213(17) 0.0310(8) Uani 1 1 d . . . . .
C6 C 0.7272(3) 0.3870(3) 0.55336(18) 0.0367(9) Uani 1 1 d . . . . .
H6 H 0.7761 0.4270 0.5386 0.044 Uiso 1 1 calc R . . . .
C5 C 0.6729(4) 0.3047(3) 0.5153(2) 0.0426(10) Uani 1 1 d . . . . .
H5 H 0.6866 0.2891 0.4754 0.051 Uiso 1 1 calc R . . . .
C9 C 1.0526(4) 0.4347(3) 0.5850(2) 0.0426(10) Uani 1 1 d . . . . .
H9 H 1.0621 0.3734 0.5807 0.051 Uiso 1 1 calc R . . . .
C4 C 0.6000(4) 0.2462(3) 0.5349(2) 0.0466(11) Uani 1 1 d . . . . .
H4A H 0.5639 0.1905 0.5088 0.056 Uiso 1 1 calc R . . . .
C12 C 1.0266(3) 0.6123(3) 0.59929(18) 0.0343(9) Uani 1 1 d . . . . .
H12 H 1.0199 0.6743 0.6055 0.041 Uiso 1 1 calc R . . . .
C11 C 1.1117(4) 0.5885(3) 0.5777(2) 0.0401(10) Uani 1 1 d . . . . .
H11 H 1.1614 0.6338 0.5677 0.048 Uiso 1 1 calc R . . . .
C10 C 1.1251(4) 0.4994(3) 0.5704(2) 0.0442(11) Uani 1 1 d . . . . .
H10 H 1.1837 0.4831 0.5556 0.053 Uiso 1 1 calc R . . . .
C8 C 0.9658(3) 0.4574(3) 0.60580(18) 0.0358(9) Uani 1 1 d . . . . .
H8 H 0.9167 0.4117 0.6158 0.043 Uiso 1 1 calc R . . . .
C13 C 0.7636(3) 0.6077(3) 0.57325(17) 0.0302(8) Uani 1 1 d . . . . .
C14 C 0.8110(3) 0.6565(3) 0.53459(19) 0.0354(9) Uani 1 1 d . . . . .
H14 H 0.8846 0.6742 0.5422 0.042 Uiso 1 1 calc R . . . .
C15 C 0.7531(4) 0.6800(3) 0.48514(19) 0.0397(10) Uani 1 1 d . . . . .
H15 H 0.7869 0.7129 0.4591 0.048 Uiso 1 1 calc R . . . .
C16 C 0.6457(4) 0.6550(3) 0.47428(19) 0.0409(10) Uani 1 1 d . . . . .
H16 H 0.6056 0.6705 0.4405 0.049 Uiso 1 1 calc R . . . .
C17 C 0.5970(4) 0.6079(3) 0.5121(2) 0.0387(9) Uani 1 1 d . . . . .
H17 H 0.5233 0.5914 0.5045 0.046 Uiso 1 1 calc R . . . .
C18 C 0.6545(3) 0.5841(3) 0.56146(18) 0.0366(9) Uani 1 1 d . . . . .
H18 H 0.6198 0.5517 0.5874 0.044 Uiso 1 1 calc R . . . .
C19 C 1.0212(3) 0.5333(3) 0.86947(17) 0.0327(8) Uani 1 1 d . . . . .
C20 C 0.9634(4) 0.4670(3) 0.89371(19) 0.0402(10) Uani 1 1 d . . . . .
H20 H 0.8899 0.4536 0.8821 0.048 Uiso 1 1 calc R . . . .
C21 C 1.0099(4) 0.4205(4) 0.9341(2) 0.0490(11) Uani 1 1 d . . . . .
H21 H 0.9681 0.3767 0.9502 0.059 Uiso 1 1 calc R . . . .
C22 C 1.1163(4) 0.4372(4) 0.9510(2) 0.0511(12) Uani 1 1 d . . . . .
H22 H 1.1486 0.4051 0.9785 0.061 Uiso 1 1 calc R . . . .
C23 C 1.1748(4) 0.5008(4) 0.9275(2) 0.0553(13) Uani 1 1 d . . . . .
H23 H 1.2484 0.5116 0.9382 0.066 Uiso 1 1 calc R . . . .
C24 C 1.1288(4) 0.5508(4) 0.8877(2) 0.0487(11) Uani 1 1 d . . . . .
H24 H 1.1711 0.5964 0.8732 0.058 Uiso 1 1 calc R . . . .
C25 C 1.0220(3) 0.7582(3) 0.88095(18) 0.0315(8) Uani 1 1 d . . . . .
C26 C 1.0529(3) 0.8508(3) 0.88270(19) 0.0366(9) Uani 1 1 d . . . . .
H26 H 1.0667 0.8711 0.8468 0.044 Uiso 1 1 calc R . . . .
C27 C 1.0639(4) 0.9143(3) 0.9364(2) 0.0441(10) Uani 1 1 d . . . . .
H27 H 1.0864 0.9774 0.9370 0.053 Uiso 1 1 calc R . . . .
C28 C 1.0424(4) 0.8859(3) 0.98882(19) 0.0438(11) Uani 1 1 d . . . . .
H28 H 1.0502 0.9294 1.0255 0.053 Uiso 1 1 calc R . . . .
C29 C 1.0092(4) 0.7939(3) 0.98775(19) 0.0409(10) Uani 1 1 d . . . . .
H29 H 0.9932 0.7740 1.0234 0.049 Uiso 1 1 calc R . . . .
C30 C 0.9996(3) 0.7308(3) 0.93408(18) 0.0361(9) Uani 1 1 d . . . . .
H30 H 0.9773 0.6677 0.9336 0.043 Uiso 1 1 calc R . . . .
C31 C 1.1347(3) 0.6869(3) 0.79390(17) 0.0305(8) Uani 1 1 d . . . . .
C32 C 1.2219(3) 0.7490(3) 0.8277(2) 0.0399(10) Uani 1 1 d . . . . .
H32 H 1.2153 0.7900 0.8628 0.048 Uiso 1 1 calc R . . . .
C33 C 1.3187(4) 0.7521(4) 0.8110(2) 0.0490(11) Uani 1 1 d . . . . .
H33 H 1.3773 0.7957 0.8343 0.059 Uiso 1 1 calc R . . . .
C34 C 1.3296(3) 0.6918(4) 0.7605(2) 0.0448(11) Uani 1 1 d . . . . .
H34 H 1.3954 0.6940 0.7488 0.054 Uiso 1 1 calc R . . . .
C35 C 1.2447(4) 0.6287(4) 0.7275(2) 0.0445(11) Uani 1 1 d . . . . .
H35 H 1.2522 0.5860 0.6936 0.053 Uiso 1 1 calc R . . . .
C36 C 1.1482(3) 0.6270(3) 0.74339(19) 0.0367(9) Uani 1 1 d . . . . .
H36 H 1.0898 0.5840 0.7193 0.044 Uiso 1 1 calc R . . . .
C37 C 0.6478(3) 0.5962(3) 0.85145(18) 0.0313(8) Uani 1 1 d . . . . .
C38 C 0.6831(3) 0.5615(3) 0.90256(19) 0.0377(9) Uani 1 1 d . . . . .
H38 H 0.7483 0.5432 0.9063 0.045 Uiso 1 1 calc R . . . .
C39 C 0.6246(4) 0.5534(3) 0.9480(2) 0.0454(11) Uani 1 1 d . . . . .
H39 H 0.6500 0.5296 0.9823 0.055 Uiso 1 1 calc R . . . .
C40 C 0.5292(4) 0.5799(4) 0.9434(2) 0.0477(11) Uani 1 1 d . . . . .
H40 H 0.4890 0.5742 0.9743 0.057 Uiso 1 1 calc R . . . .
C41 C 0.4939(4) 0.6145(3) 0.8935(2) 0.0414(10) Uani 1 1 d . . . . .
H41 H 0.4289 0.6332 0.8902 0.050 Uiso 1 1 calc R . . . .
C42 C 0.5517(3) 0.6226(3) 0.84805(19) 0.0372(9) Uani 1 1 d . . . . .
H42 H 0.5256 0.6464 0.8140 0.045 Uiso 1 1 calc R . . . .
C43 C 0.6014(3) 0.6640(3) 0.71068(17) 0.0302(8) Uani 1 1 d . . . . .
C44 C 0.5380(3) 0.5770(3) 0.69616(18) 0.0331(8) Uani 1 1 d . . . . .
H44 H 0.5548 0.5321 0.7185 0.040 Uiso 1 1 calc R . . . .
C45 C 0.4513(3) 0.5548(3) 0.6502(2) 0.0401(10) Uani 1 1 d . . . . .
H45 H 0.4091 0.4953 0.6415 0.048 Uiso 1 1 calc R . . . .
C46 C 0.4259(3) 0.6183(3) 0.6167(2) 0.0422(10) Uani 1 1 d . . . . .
H46 H 0.3666 0.6028 0.5848 0.051 Uiso 1 1 calc R . . . .
C47 C 0.4881(3) 0.7057(3) 0.6302(2) 0.0407(10) Uani 1 1 d . . . . .
H47 H 0.4704 0.7502 0.6077 0.049 Uiso 1 1 calc R . . . .
C48 C 0.5751(3) 0.7279(3) 0.67595(18) 0.0329(8) Uani 1 1 d . . . . .
H48 H 0.6176 0.7872 0.6840 0.040 Uiso 1 1 calc R . . . .
C49 C 0.7035(3) 0.7876(3) 0.82208(18) 0.0320(8) Uani 1 1 d . . . . .
C50 C 0.6215(4) 0.8337(3) 0.8142(2) 0.0392(10) Uani 1 1 d . . . . .
H50 H 0.5679 0.8132 0.7791 0.047 Uiso 1 1 calc R . . . .
C51 C 0.6179(4) 0.9090(3) 0.8572(2) 0.0483(11) Uani 1 1 d . . . . .
H51 H 0.5623 0.9403 0.8509 0.058 Uiso 1 1 calc R . . . .
C52 C 0.6931(4) 0.9390(3) 0.9086(2) 0.0504(12) Uani 1 1 d . . . . .
H52 H 0.6903 0.9911 0.9377 0.061 Uiso 1 1 calc R . . . .
C53 C 0.7736(4) 0.8926(4) 0.9179(2) 0.0514(12) Uani 1 1 d . . . . .
H53 H 0.8256 0.9121 0.9538 0.062 Uiso 1 1 calc R . . . .
C54 C 0.7780(3) 0.8181(3) 0.8750(2) 0.0405(10) Uani 1 1 d . . . . .
H54 H 0.8335 0.7868 0.8818 0.049 Uiso 1 1 calc R . . . .
C55 C 0.7860(4) 0.9072(3) 0.6163(2) 0.0408(10) Uani 1 1 d . . . . .
C56 C 0.6902(4) 0.8882(4) 0.5755(2) 0.0514(12) Uani 1 1 d . . . . .
H56 H 0.6465 0.8295 0.5685 0.062 Uiso 1 1 calc R . . . .
C57 C 0.6595(5) 0.9536(5) 0.5459(3) 0.0687(17) Uani 1 1 d . . . . .
H57 H 0.5947 0.9398 0.5184 0.082 Uiso 1 1 calc R . . . .
C58 C 0.7220(5) 1.0401(4) 0.5554(3) 0.0692(17) Uani 1 1 d . . . . .
H58 H 0.7001 1.0853 0.5350 0.083 Uiso 1 1 calc R . . . .
C59 C 0.8153(5) 1.0589(4) 0.5946(2) 0.0600(15) Uani 1 1 d . . . . .
H59 H 0.8585 1.1177 0.6013 0.072 Uiso 1 1 calc R . . . .
C60 C 0.8481(4) 0.9928(3) 0.6248(2) 0.0475(11) Uani 1 1 d . . . . .
H60 H 0.9137 1.0069 0.6515 0.057 Uiso 1 1 calc R . . . .
C61 C 0.9429(4) 0.9393(3) 0.75165(19) 0.0416(10) Uani 1 1 d . . . . .
C62 C 0.8636(6) 0.9612(3) 0.7804(3) 0.0625(16) Uani 1 1 d . . . . .
H62 H 0.7970 0.9220 0.7708 0.075 Uiso 1 1 calc R . . . .
C63 C 0.8832(7) 1.0436(4) 0.8249(3) 0.079(2) Uani 1 1 d . . . . .
H63 H 0.8291 1.0595 0.8448 0.094 Uiso 1 1 calc R . . . .
C64 C 0.9799(7) 1.1001(4) 0.8393(3) 0.078(2) Uani 1 1 d . . . . .
H64 H 0.9928 1.1539 0.8697 0.094 Uiso 1 1 calc R . . . .
C65 C 1.0566(6) 1.0791(4) 0.8101(3) 0.0681(17) Uani 1 1 d . . . . .
H65 H 1.1226 1.1192 0.8194 0.082 Uiso 1 1 calc R . . . .
C66 C 1.0398(5) 0.9998(3) 0.7669(2) 0.0552(13) Uani 1 1 d . . . . .
H66 H 1.0947 0.9858 0.7471 0.066 Uiso 1 1 calc R . . . .
C67 C 1.0251(3) 0.8439(3) 0.65715(19) 0.0359(9) Uani 1 1 d . . . . .
C68 C 1.0145(4) 0.8522(3) 0.59660(19) 0.0379(9) Uani 1 1 d . . . . .
H68 H 0.9491 0.8577 0.5754 0.045 Uiso 1 1 calc R . . . .
C69 C 1.0977(4) 0.8528(3) 0.5663(2) 0.0495(12) Uani 1 1 d . . . . .
H69 H 1.0886 0.8569 0.5245 0.059 Uiso 1 1 calc R . . . .
C70 C 1.1932(4) 0.8474(4) 0.5971(3) 0.0565(13) Uani 1 1 d . . . . .
H70 H 1.2506 0.8494 0.5767 0.068 Uiso 1 1 calc R . . . .
C71 C 1.2066(4) 0.8391(3) 0.6576(3) 0.0536(12) Uani 1 1 d . . . . .
H71 H 1.2726 0.8352 0.6788 0.064 Uiso 1 1 calc R . . . .
C72 C 1.1225(4) 0.8366(3) 0.6869(2) 0.0446(10) Uani 1 1 d . . . . .
H72 H 1.1312 0.8297 0.7281 0.053 Uiso 1 1 calc R . . . .
Li1 Li 0.5592(14) 0.2559(12) 0.8035(7) 0.117(5) Uani 1 1 d D U . . .
O2A O 0.5022(17) 0.1060(13) 0.7757(10) 0.114(6) Uani 0.3333 1 d . U P A 1
O3B O 0.5831(6) 0.2289(4) 0.8726(4) 0.070(2) Uani 0.6667 1 d D . P A 1
C81A C 0.6522(13) 0.1710(9) 0.8887(6) 0.110(5) Uani 0.6667 1 d D . P A 1
H81A H 0.6165 0.1208 0.9054 0.131 Uiso 0.6667 1 calc R . P A 1
H81B H 0.6785 0.1445 0.8526 0.131 Uiso 0.6667 1 calc R . P A 1
C82A C 0.7265(15) 0.2215(15) 0.9288(11) 0.150(7) Uani 0.6667 1 d D U P A 1
H82A H 0.7385 0.1883 0.9625 0.180 Uiso 0.6667 1 calc R . P A 1
H82B H 0.7896 0.2261 0.9104 0.180 Uiso 0.6667 1 calc R . P A 1
C83A C 0.7215(14) 0.2981(12) 0.9515(8) 0.127(5) Uani 0.6667 1 d D U P A 1
H83A H 0.7706 0.3442 0.9383 0.152 Uiso 0.6667 1 calc R . P A 1
H83B H 0.7354 0.3081 0.9965 0.152 Uiso 0.6667 1 calc R . P A 1
C84A C 0.5993(11) 0.3008(10) 0.9243(6) 0.085(4) Uani 0.6667 1 d D U P A 1
H84A H 0.5527 0.2868 0.9531 0.102 Uiso 0.6667 1 calc R . P A 1
H84B H 0.5921 0.3598 0.9128 0.102 Uiso 0.6667 1 calc R . P A 1
O4B O 0.4275(13) 0.3027(11) 0.7919(11) 0.063(4) Uani 0.5 1 d . . P A 1
C77A C 0.603(3) 0.125(2) 0.7608(17) 0.121(8) Uani 0.3333 1 d . U P A 1
H77A H 0.6570 0.1228 0.7956 0.145 Uiso 0.3333 1 calc R . P A 1
H77B H 0.6171 0.1875 0.7517 0.145 Uiso 0.3333 1 calc R . P A 1
C78A C 0.607(3) 0.055(3) 0.705(2) 0.120(9) Uani 0.3333 1 d . U P A 1
H78A H 0.6451 0.0841 0.6772 0.144 Uiso 0.3333 1 calc R . P A 1
H78B H 0.6428 0.0071 0.7180 0.144 Uiso 0.3333 1 calc R . P A 1
O2B O 0.5454(5) 0.1440(4) 0.7352(3) 0.0659(16) Uani 0.6667 1 d D . P A 2
C77B C 0.6293(8) 0.1140(6) 0.7129(5) 0.072(3) Uani 0.6667 1 d D U P A 2
H77C H 0.6958 0.1444 0.7405 0.086 Uiso 0.6667 1 calc R . P A 2
H77D H 0.6321 0.1275 0.6719 0.086 Uiso 0.6667 1 calc R . P A 2
C78B C 0.6096(10) 0.0131(7) 0.7103(7) 0.084(3) Uani 0.6667 1 d D U P A 2
H78C H 0.6406 -0.0183 0.6779 0.100 Uiso 0.6667 1 calc R . P A 2
H78D H 0.6382 -0.0011 0.7498 0.100 Uiso 0.6667 1 calc R . P A 2
C79A C 0.500(5) 0.014(3) 0.675(2) 0.121(15) Uani 0.3333 1 d D U P A 1
H79A H 0.4895 -0.0526 0.6591 0.145 Uiso 0.3333 1 calc R . P A 1
H79B H 0.4745 0.0446 0.6418 0.145 Uiso 0.3333 1 calc R . P A 1
C80B C 0.4583(11) 0.0723(12) 0.7220(12) 0.142(8) Uani 0.6667 1 d D U P A 2
H80A H 0.4030 0.0841 0.6914 0.171 Uiso 0.6667 1 calc R . P A 2
H80B H 0.4303 0.0650 0.7593 0.171 Uiso 0.6667 1 calc R . P A 2
C80A C 0.450(2) 0.039(2) 0.7370(11) 0.087(6) Uani 0.3333 1 d . U P A 1
H80C H 0.3799 0.0508 0.7245 0.105 Uiso 0.3333 1 calc R . P A 1
H80D H 0.4425 -0.0150 0.7563 0.105 Uiso 0.3333 1 calc R . P A 1
C85A C 0.3453(14) 0.2766(12) 0.8158(8) 0.095(5) Uani 0.5 1 d . . P A 1
H85A H 0.3636 0.2490 0.8516 0.114 Uiso 0.5 1 calc R . P A 1
H85B H 0.2897 0.2331 0.7854 0.114 Uiso 0.5 1 calc R . P A 1
C86A C 0.3148(13) 0.3664(14) 0.8336(11) 0.112(7) Uani 0.5 1 d . . P A 1
H86A H 0.3588 0.4021 0.8723 0.134 Uiso 0.5 1 calc R . P A 1
H86B H 0.2409 0.3581 0.8377 0.134 Uiso 0.5 1 calc R . P A 1
C87A C 0.337(2) 0.418(2) 0.7719(12) 0.082(6) Uani 0.5 1 d . U P A 1
H87A H 0.2774 0.3998 0.7372 0.098 Uiso 0.5 1 calc R . P A 1
H87B H 0.3557 0.4858 0.7837 0.098 Uiso 0.5 1 calc R . P A 1
C88A C 0.4146(15) 0.3823(13) 0.7617(10) 0.099(5) Uani 0.5 1 d . U P A 1
H88A H 0.4788 0.4299 0.7757 0.118 Uiso 0.5 1 calc R . P A 1
H88B H 0.4073 0.3618 0.7172 0.118 Uiso 0.5 1 calc R . P A 1
O3A O 0.5788(12) 0.2336(13) 0.8991(7) 0.075(5) Uani 0.3333 1 d D U P A 2
C84B C 0.6503(17) 0.3129(10) 0.9381(8) 0.056(4) Uani 0.3333 1 d D U P A 2
H84C H 0.7108 0.3321 0.9193 0.068 Uiso 0.3333 1 calc R . P A 2
H84D H 0.6151 0.3648 0.9465 0.068 Uiso 0.3333 1 calc R . P A 2
C83B C 0.679(2) 0.2830(19) 0.9877(11) 0.133(11) Uani 0.3333 1 d D U P A 2
H83C H 0.7405 0.3263 1.0129 0.159 Uiso 0.3333 1 calc R . P A 2
H83D H 0.6219 0.2817 1.0114 0.159 Uiso 0.3333 1 calc R . P A 2
C82B C 0.6990(18) 0.2063(17) 0.9780(15) 0.117(11) Uani 0.3333 1 d D . P A 2
H82C H 0.7072 0.1796 1.0150 0.140 Uiso 0.3333 1 calc R . P A 2
H82D H 0.7604 0.2045 0.9584 0.140 Uiso 0.3333 1 calc R . P A 2
C81B C 0.588(3) 0.1594(16) 0.9300(19) 0.22(2) Uani 0.3333 1 d D U P A 2
H81C H 0.5928 0.1035 0.9021 0.265 Uiso 0.3333 1 calc R . P A 2
H81D H 0.5293 0.1457 0.9517 0.265 Uiso 0.3333 1 calc R . P A 2
O4A O 0.422(2) 0.2919(19) 0.7751(15) 0.104(9) Uani 0.5 1 d . U P A 2
C79B C 0.497(2) -0.0130(13) 0.6966(9) 0.095(6) Uani 0.6667 1 d . U P A 2
H79C H 0.4728 -0.0640 0.7165 0.114 Uiso 0.6667 1 calc R . P A 2
H79D H 0.4716 -0.0321 0.6521 0.114 Uiso 0.6667 1 calc R . P A 2
C85B C 0.4223(11) 0.3880(10) 0.8271(8) 0.089(5) Uani 0.5 1 d . . P A 2
H85C H 0.4150 0.3745 0.8677 0.107 Uiso 0.5 1 calc R . P A 2
H85D H 0.4851 0.4357 0.8310 0.107 Uiso 0.5 1 calc R . P A 2
C86B C 0.322(2) 0.414(2) 0.7940(11) 0.088(6) Uani 0.5 1 d . U P A 2
H86C H 0.3303 0.4807 0.7978 0.106 Uiso 0.5 1 calc R . P A 2
H86D H 0.2603 0.3905 0.8106 0.106 Uiso 0.5 1 calc R . P A 2
C87B C 0.3133(15) 0.3648(14) 0.7259(11) 0.108(6) Uani 0.5 1 d . . P A 2
H87C H 0.2463 0.3208 0.7115 0.129 Uiso 0.5 1 calc R . P A 2
H87D H 0.3180 0.4100 0.6991 0.129 Uiso 0.5 1 calc R . P A 2
C88B C 0.3984(15) 0.3184(16) 0.7256(10) 0.113(6) Uani 0.5 1 d . U P A 2
H88C H 0.3798 0.2651 0.6914 0.135 Uiso 0.5 1 calc R . P A 2
H88D H 0.4597 0.3600 0.7188 0.135 Uiso 0.5 1 calc R . P A 2
O5 O 0.8885(13) 0.8253(11) 0.3681(8) 0.280(7) Uiso 1 1 d . . . . .
C89 C 0.8028(11) 0.8813(9) 0.3487(6) 0.150(4) Uiso 1 1 d . . . . .
H89A H 0.8337 0.9384 0.3370 0.180 Uiso 1 1 calc R . . . .
H89B H 0.7480 0.8446 0.3146 0.180 Uiso 1 1 calc R . . . .
C90 C 0.7629(7) 0.8993(6) 0.4042(4) 0.101(2) Uiso 1 1 d . . . . .
H90A H 0.7074 0.8486 0.4069 0.121 Uiso 1 1 calc R . . . .
H90B H 0.7369 0.9569 0.4086 0.121 Uiso 1 1 calc R . . . .
C91 C 0.8602(6) 0.9065(6) 0.4497(4) 0.091(2) Uiso 1 1 d . . . . .
H91A H 0.9034 0.9685 0.4567 0.110 Uiso 1 1 calc R . . . .
H91B H 0.8420 0.8957 0.4890 0.110 Uiso 1 1 calc R . . . .
C92 C 0.9175(6) 0.8404(5) 0.4275(4) 0.086(2) Uiso 1 1 d . . . . .
H92A H 0.9933 0.8647 0.4397 0.103 Uiso 1 1 calc R . . . .
H92B H 0.9000 0.7837 0.4432 0.103 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
Pt1 Y1 3.0063(8) . ?
Pt1 P1 2.3206(13) . ?
Pt1 P2 2.3363(12) . ?
Pt1 P3 2.3368(11) . ?
Pt1 P4 2.3477(12) . ?
Y1 Cl1 2.6525(14) . ?
Y1 P1 3.1463(12) . ?
Y1 P2 3.1531(17) . ?
Y1 P3 3.1412(12) . ?
Y1 O1 2.471(3) . ?
Y1 N1 2.347(3) . ?
Y1 N2 2.291(3) . ?
Y1 N3 2.325(3) . ?
Cl1 Li1 2.352(19) . ?
P1 N1 1.678(3) . ?
P1 C7 1.847(4) . ?
P1 C13 1.854(4) . ?
P2 N2 1.665(3) . ?
P2 C25 1.838(4) . ?
P2 C31 1.851(4) . ?
P3 N3 1.676(3) . ?
P3 C43 1.844(4) . ?
P3 C49 1.849(4) . ?
P4 N4 1.677(4) . ?
P4 C61 1.845(5) . ?
P4 C67 1.842(5) . ?
O1 C73 1.453(5) . ?
O1 C76 1.436(5) . ?
C73 C74 1.505(7) . ?
C74 C75 1.542(8) . ?
C75 C76 1.524(7) . ?
N1 C1 1.392(5) . ?
N2 C19 1.407(5) . ?
N3 C37 1.412(5) . ?
N4 C55 1.400(5) . ?
C1 C2 1.410(6) . ?
C1 C6 1.414(6) . ?
C3 C2 1.386(6) . ?
C3 C4 1.382(7) . ?
C7 C12 1.393(6) . ?
C7 C8 1.399(6) . ?
C6 C5 1.402(6) . ?
C5 C4 1.376(7) . ?
C9 C10 1.373(7) . ?
C9 C8 1.387(6) . ?
C12 C11 1.380(6) . ?
C11 C10 1.381(7) . ?
C13 C14 1.393(6) . ?
C13 C18 1.406(6) . ?
C14 C15 1.392(6) . ?
C15 C16 1.386(7) . ?
C16 C17 1.372(6) . ?
C17 C18 1.389(6) . ?
C19 C20 1.398(6) . ?
C19 C24 1.393(6) . ?
C20 C21 1.381(6) . ?
C21 C22 1.376(7) . ?
C22 C23 1.364(8) . ?
C23 C24 1.407(6) . ?
C25 C26 1.387(6) . ?
C25 C30 1.396(6) . ?
C26 C27 1.391(6) . ?
C27 C28 1.384(7) . ?
C28 C29 1.387(7) . ?
C29 C30 1.391(6) . ?
C31 C32 1.389(6) . ?
C31 C36 1.393(6) . ?
C32 C33 1.393(6) . ?
C33 C34 1.384(7) . ?
C34 C35 1.372(7) . ?
C35 C36 1.383(6) . ?
C37 C38 1.400(6) . ?
C37 C42 1.398(6) . ?
C38 C39 1.393(6) . ?
C39 C40 1.389(7) . ?
C40 C41 1.376(6) . ?
C41 C42 1.388(6) . ?
C43 C44 1.398(6) . ?
C43 C48 1.403(6) . ?
C44 C45 1.381(6) . ?
C45 C46 1.376(7) . ?
C46 C47 1.397(7) . ?
C47 C48 1.382(6) . ?
C49 C50 1.397(6) . ?
C49 C54 1.388(6) . ?
C50 C51 1.387(6) . ?
C51 C52 1.369(7) . ?
C52 C53 1.387(7) . ?
C53 C54 1.379(6) . ?
C55 C56 1.408(7) . ?
C55 C60 1.381(7) . ?
C56 C57 1.372(7) . ?
C57 C58 1.391(9) . ?
C58 C59 1.365(9) . ?
C59 C60 1.398(6) . ?
C61 C62 1.381(7) . ?
C61 C66 1.406(8) . ?
C62 C63 1.426(8) . ?
C63 C64 1.378(11) . ?
C64 C65 1.353(10) . ?
C65 C66 1.380(7) . ?
C67 C68 1.387(6) . ?
C67 C72 1.396(7) . ?
C68 C69 1.389(6) . ?
C69 C70 1.375(8) . ?
C70 C71 1.385(8) . ?
C71 C72 1.383(7) . ?
Li1 O2A 2.22(3) . ?
Li1 O3B 1.682(16) . ?
Li1 O4B 2.00(3) . ?
Li1 O2B 2.062(19) . ?
Li1 O3A 2.230(16) . ?
Li1 O4A 2.04(3) . ?
O2A C77A 1.43(4) . ?
O2A C80A 1.25(4) . ?
O3B C81A 1.423(12) . ?
O3B C84A 1.425(15) . ?
C81A C82A 1.27(2) . ?
C82A C83A 1.209(18) . ?
C83A C84A 1.66(2) . ?
O4B C85A 1.32(3) . ?
O4B C88A 1.51(3) . ?
C77A C78A 1.53(5) . ?
C78A C79A 1.46(7) . ?
O2B C77B 1.405(10) . ?
O2B C80B 1.403(15) . ?
C77B C78B 1.499(12) . ?
C78B C79B 1.45(3) . ?
C79A C80A 1.66(6) . ?
C80B C79B 1.53(3) . ?
C85A C86A 1.50(2) . ?
C86A C87A 1.76(3) . ?
C87A C88A 1.29(3) . ?
O3A C84B 1.459(18) . ?
O3A C81B 1.43(2) . ?
C84B C83B 1.31(2) . ?
C83B C82B 1.23(2) . ?
C82B C81B 1.66(3) . ?
O4A C85B 1.71(3) . ?
O4A C88B 1.27(4) . ?
C85B C86B 1.57(3) . ?
C86B C87B 1.58(3) . ?
C87B C88B 1.43(3) . ?
O5 C89 1.587(18) . ?
O5 C92 1.311(17) . ?
C89 C90 1.441(14) . ?
C90 C91 1.501(12) . ?
C91 C92 1.433(10) . ?

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
P1 Pt1 Y1 71.08(3) . . ?
P1 Pt1 P2 116.56(4) . . ?
P1 Pt1 P3 106.95(5) . . ?
P1 Pt1 P4 104.66(4) . . ?
P2 Pt1 Y1 71.08(4) . . ?
P2 Pt1 P3 106.03(4) . . ?
P2 Pt1 P4 113.45(5) . . ?
P3 Pt1 Y1 70.75(4) . . ?
P3 Pt1 P4 108.87(4) . . ?
P4 Pt1 Y1 175.10(3) . . ?
Pt1 Y1 P1 44.24(3) . . ?
Pt1 Y1 P2 44.50(3) . . ?
Pt1 Y1 P3 44.62(2) . . ?
Cl1 Y1 Pt1 158.76(3) . . ?
Cl1 Y1 P1 137.60(4) . . ?
Cl1 Y1 P2 144.36(4) . . ?
Cl1 Y1 P3 114.40(4) . . ?
P1 Y1 P2 77.93(4) . . ?
P3 Y1 P1 73.06(3) . . ?
P3 Y1 P2 72.75(3) . . ?
O1 Y1 Pt1 118.75(8) . . ?
O1 Y1 Cl1 81.61(8) . . ?
O1 Y1 P1 90.15(8) . . ?
O1 Y1 P2 98.87(8) . . ?
O1 Y1 P3 162.35(8) . . ?
N1 Y1 Pt1 73.41(9) . . ?
N1 Y1 Cl1 106.17(9) . . ?
N1 Y1 P1 31.49(8) . . ?
N1 Y1 P2 109.15(9) . . ?
N1 Y1 P3 86.55(8) . . ?
N1 Y1 O1 81.56(11) . . ?
N2 Y1 Pt1 75.22(8) . . ?
N2 Y1 Cl1 116.47(9) . . ?
N2 Y1 P1 103.08(9) . . ?
N2 Y1 P2 30.73(8) . . ?
N2 Y1 P3 96.78(8) . . ?
N2 Y1 O1 81.44(11) . . ?
N2 Y1 N1 130.76(12) . . ?
N2 Y1 N3 97.97(12) . . ?
N3 Y1 Pt1 74.02(8) . . ?
N3 Y1 Cl1 86.40(9) . . ?
N3 Y1 P1 103.36(8) . . ?
N3 Y1 P2 86.90(9) . . ?
N3 Y1 P3 31.42(8) . . ?
N3 Y1 O1 166.19(11) . . ?
N3 Y1 N1 108.52(11) . . ?
Li1 Cl1 Y1 165.6(4) . . ?
Pt1 P1 Y1 64.68(3) . . ?
N1 P1 Pt1 107.32(12) . . ?
N1 P1 Y1 46.95(11) . . ?
N1 P1 C7 109.00(17) . . ?
N1 P1 C13 105.98(18) . . ?
C7 P1 Pt1 116.55(13) . . ?
C7 P1 Y1 111.32(13) . . ?
C7 P1 C13 101.05(17) . . ?
C13 P1 Pt1 116.32(12) . . ?
C13 P1 Y1 142.88(13) . . ?
Pt1 P2 Y1 64.42(4) . . ?
N2 P2 Pt1 109.08(12) . . ?
N2 P2 Y1 44.67(11) . . ?
N2 P2 C25 105.80(18) . . ?
N2 P2 C31 107.55(17) . . ?
C25 P2 Pt1 116.64(13) . . ?
C25 P2 Y1 125.43(14) . . ?
C25 P2 C31 100.76(19) . . ?
C31 P2 Pt1 116.14(12) . . ?
C31 P2 Y1 128.95(13) . . ?
Pt1 P3 Y1 64.63(3) . . ?
N3 P3 Pt1 107.28(12) . . ?
N3 P3 Y1 46.34(11) . . ?
N3 P3 C43 106.46(18) . . ?
N3 P3 C49 105.27(17) . . ?
C43 P3 Pt1 114.73(12) . . ?
C43 P3 Y1 108.29(13) . . ?
C43 P3 C49 101.95(18) . . ?
C49 P3 Pt1 120.09(14) . . ?
C49 P3 Y1 143.19(13) . . ?
N4 P4 Pt1 108.16(14) . . ?
N4 P4 C61 104.46(19) . . ?
N4 P4 C67 105.21(19) . . ?
C61 P4 Pt1 119.88(14) . . ?
C67 P4 Pt1 116.49(13) . . ?
C67 P4 C61 101.2(2) . . ?
C73 O1 Y1 123.1(3) . . ?
C76 O1 Y1 132.2(3) . . ?
C76 O1 C73 104.0(3) . . ?
O1 C73 C74 102.9(4) . . ?
C73 C74 C75 104.0(4) . . ?
C76 C75 C74 103.7(4) . . ?
O1 C76 C75 105.0(4) . . ?
P1 N1 Y1 101.56(16) . . ?
C1 N1 Y1 130.2(3) . . ?
C1 N1 P1 126.6(3) . . ?
P2 N2 Y1 104.60(15) . . ?
C19 N2 Y1 126.4(3) . . ?
C19 N2 P2 129.0(3) . . ?
P3 N3 Y1 102.24(14) . . ?
C37 N3 Y1 135.1(2) . . ?
C37 N3 P3 122.5(3) . . ?
C55 N4 P4 133.5(3) . . ?
N1 C1 C2 118.0(4) . . ?
N1 C1 C6 125.3(4) . . ?
C2 C1 C6 116.7(4) . . ?
C4 C3 C2 120.7(5) . . ?
C3 C2 C1 121.6(4) . . ?
C12 C7 P1 120.6(3) . . ?
C12 C7 C8 117.6(4) . . ?
C8 C7 P1 121.6(3) . . ?
C5 C6 C1 120.6(4) . . ?
C4 C5 C6 121.1(4) . . ?
C10 C9 C8 120.9(4) . . ?
C5 C4 C3 119.2(4) . . ?
C11 C12 C7 121.2(4) . . ?
C12 C11 C10 120.4(4) . . ?
C9 C10 C11 119.2(4) . . ?
C9 C8 C7 120.5(4) . . ?
C14 C13 P1 122.8(3) . . ?
C14 C13 C18 117.8(4) . . ?
C18 C13 P1 119.3(3) . . ?
C15 C14 C13 121.6(4) . . ?
C16 C15 C14 119.3(4) . . ?
C17 C16 C15 120.2(4) . . ?
C16 C17 C18 120.6(4) . . ?
C17 C18 C13 120.4(4) . . ?
C20 C19 N2 118.0(4) . . ?
C24 C19 N2 124.8(4) . . ?
C24 C19 C20 117.1(4) . . ?
C21 C20 C19 122.1(4) . . ?
C22 C21 C20 120.3(5) . . ?
C23 C22 C21 118.9(4) . . ?
C22 C23 C24 121.7(5) . . ?
C19 C24 C23 119.9(5) . . ?
C26 C25 P2 120.5(3) . . ?
C26 C25 C30 118.1(4) . . ?
C30 C25 P2 121.2(3) . . ?
C25 C26 C27 120.9(4) . . ?
C28 C27 C26 120.2(4) . . ?
C27 C28 C29 119.8(4) . . ?
C28 C29 C30 119.6(4) . . ?
C29 C30 C25 121.3(4) . . ?
C32 C31 P2 126.5(3) . . ?
C32 C31 C36 117.5(4) . . ?
C36 C31 P2 115.9(3) . . ?
C31 C32 C33 121.1(4) . . ?
C34 C33 C32 120.0(5) . . ?
C35 C34 C33 119.5(4) . . ?
C34 C35 C36 120.4(4) . . ?
C35 C36 C31 121.4(4) . . ?
C38 C37 N3 118.1(4) . . ?
C42 C37 N3 124.6(4) . . ?
C42 C37 C38 117.3(4) . . ?
C39 C38 C37 121.2(4) . . ?
C40 C39 C38 120.3(4) . . ?
C41 C40 C39 119.0(4) . . ?
C40 C41 C42 120.9(4) . . ?
C41 C42 C37 121.2(4) . . ?
C44 C43 P3 119.7(3) . . ?
C44 C43 C48 117.5(4) . . ?
C48 C43 P3 122.6(3) . . ?
C45 C44 C43 121.5(4) . . ?
C46 C45 C44 120.4(4) . . ?
C45 C46 C47 119.2(4) . . ?
C48 C47 C46 120.5(4) . . ?
C47 C48 C43 120.8(4) . . ?
C50 C49 P3 125.9(3) . . ?
C54 C49 P3 116.4(3) . . ?
C54 C49 C50 117.7(4) . . ?
C51 C50 C49 120.3(4) . . ?
C52 C51 C50 121.1(4) . . ?
C51 C52 C53 119.2(4) . . ?
C54 C53 C52 119.9(5) . . ?
C53 C54 C49 121.6(4) . . ?
N4 C55 C56 117.3(4) . . ?
C60 C55 N4 124.5(4) . . ?
C60 C55 C56 118.2(4) . . ?
C57 C56 C55 120.5(6) . . ?
C56 C57 C58 120.9(6) . . ?
C59 C58 C57 119.0(5) . . ?
C58 C59 C60 120.9(6) . . ?
C55 C60 C59 120.5(5) . . ?
C62 C61 P4 116.9(4) . . ?
C62 C61 C66 118.5(5) . . ?
C66 C61 P4 124.6(4) . . ?
C61 C62 C63 119.0(6) . . ?
C64 C63 C62 120.5(6) . . ?
C65 C64 C63 120.2(6) . . ?
C64 C65 C66 120.4(7) . . ?
C65 C66 C61 121.3(6) . . ?
C68 C67 P4 122.6(3) . . ?
C68 C67 C72 117.8(4) . . ?
C72 C67 P4 119.3(3) . . ?
C67 C68 C69 121.2(5) . . ?
C70 C69 C68 119.7(5) . . ?
C69 C70 C71 120.5(5) . . ?
C72 C71 C70 119.2(5) . . ?
C71 C72 C67 121.6(5) . . ?
O2A Li1 Cl1 141.2(10) . . ?
O3B Li1 Cl1 109.7(9) . . ?
O3B Li1 O2A 81.6(10) . . ?
O3B Li1 O4B 110.8(12) . . ?
O4B Li1 Cl1 107.5(9) . . ?
O4B Li1 O2A 102.2(11) . . ?
O2B Li1 Cl1 109.6(7) . . ?
O2B Li1 O3A 117.4(10) . . ?
O3A Li1 Cl1 109.7(9) . . ?
O4A Li1 Cl1 108.0(12) . . ?
O4A Li1 O2B 98.3(11) . . ?
O4A Li1 O3A 113.1(13) . . ?
C77A O2A Li1 73.1(17) . . ?
C80A O2A Li1 149(2) . . ?
C80A O2A C77A 107(2) . . ?
C81A O3B Li1 124.3(9) . . ?
C81A O3B C84A 105.7(9) . . ?
C84A O3B Li1 117.2(9) . . ?
C82A C81A O3B 105.9(12) . . ?
C83A C82A C81A 121.0(17) . . ?
C82A C83A C84A 101.6(14) . . ?
O3B C84A C83A 97.4(10) . . ?
C85A O4B Li1 125.3(16) . . ?
C85A O4B C88A 110.5(15) . . ?
C88A O4B Li1 123.6(14) . . ?
O2A C77A C78A 108(3) . . ?
C79A C78A C77A 108(4) . . ?
C77B O2B Li1 124.7(8) . . ?
C80B O2B Li1 121.3(11) . . ?
C80B O2B C77B 110.3(9) . . ?
O2B C77B C78B 105.5(8) . . ?
C79B C78B C77B 103.2(11) . . ?
C78A C79A C80A 94(4) . . ?
O2B C80B C79B 105.5(13) . . ?
O2A C80A C79A 115(3) . . ?
O4B C85A C86A 100.4(16) . . ?
C85A C86A C87A 101.8(16) . . ?
C88A C87A C86A 95.5(19) . . ?
C87A C88A O4B 115.3(19) . . ?
C84B O3A Li1 108.2(12) . . ?
C81B O3A Li1 138(2) . . ?
C81B O3A C84B 105.5(12) . . ?
C83B C84B O3A 102.9(14) . . ?
C82B C83B C84B 114(2) . . ?
C83B C82B C81B 94.5(18) . . ?
O3A C81B C82B 98.3(14) . . ?
C85B O4A Li1 104.2(15) . . ?
C88B O4A Li1 124(2) . . ?
C88B O4A C85B 101(2) . . ?
C78B C79B C80B 105.4(14) . . ?
C86B C85B O4A 97.7(16) . . ?
C85B C86B C87B 102.5(17) . . ?
C88B C87B C86B 106.0(18) . . ?
O4A C88B C87B 112(2) . . ?
C92 O5 C89 111.4(13) . . ?
C90 C89 O5 101.1(11) . . ?
C89 C90 C91 99.4(9) . . ?
C92 C91 C90 109.7(7) . . ?
O5 C92 C91 104.2(10) . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.111 0.747 0.442 10.1 0.2 ?
2 0.500 0.000 0.000 335.8 59.1 ?
3 0.889 0.253 0.558 10.1 0.7 ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_1b
_database_code_depnum_ccdc_archive 'CCDC 1450175'
_audit_update_record             
;
2016-01-27 deposited with the CCDC.
2016-03-09 downloaded from the CCDC.
;
_audit_creation_date             2015-12-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_shelxl_version_number           2013-2

#==============================================================================
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C88 H93 Cl Li Lu N4 O4 P4 Pt, C4 H8 O, C7 H8'
_chemical_formula_sum            'C99 H109 Cl Li Lu N4 O5 P4 Pt'
_chemical_formula_weight         1971.23
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 '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'
Lu Lu -0.4720 5.8584 '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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.388(3)
_cell_length_b                   15.201(3)
_cell_length_c                   22.573(5)
_cell_angle_alpha                99.85(3)
_cell_angle_beta                 98.77(3)
_cell_angle_gamma                97.53(3)
_cell_volume                     4414.6(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    11874
_cell_measurement_temperature    210(2)
_cell_measurement_theta_max      28.15
_cell_measurement_theta_min      1.67
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.853
_exptl_absorpt_correction_T_max  0.8397
_exptl_absorpt_correction_T_min  0.7371
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'STOE X-RED & X-SHAPE'
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.483
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2000
_exptl_crystal_size_max          0.159
_exptl_crystal_size_mid          0.119
_exptl_crystal_size_min          0.084
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0947
_diffrn_reflns_av_unetI/netI     0.2475
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            34017
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         1.807
_diffrn_ambient_temperature      210
_diffrn_detector                 'image plate (34cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            'STOE image plate'
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device       'two-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_collimation    '0.5mm monocapillary'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube, 12x0.4mm long-fine focus'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7750
_reflns_number_total             17155
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.102
_refine_diff_density_min         -0.604
_refine_diff_density_rms         0.109
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.649
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     959
_refine_ls_number_reflns         17155
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1300
_refine_ls_R_factor_gt           0.0469
_refine_ls_restrained_S_all      0.649
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0004P)²]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0629
_refine_ls_wR_factor_ref         0.0763
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: H73C(0.5) H73D(0.5) H73A(0.5) H73B(0.5) C74B(0.66666)
 H74A(0.66666) H74B(0.66666) C75B(0.66666) H75A(0.66666) H75B(0.66666)
 H76C(0.66666) H76D(0.66666) H76A(0.33333) H76B(0.33333) C80B(0.5) H80A(0.5)
 H80B(0.5) C78A(0.5) H78A(0.5) H78B(0.5) O3B(0.5) C81B(0.5) H81A(0.5) H81B(0.5)
 C88B(0.5) H88A(0.5) H88B(0.5) C83B(0.5) H83A(0.5) H83B(0.5) C85B(0.5)
 H85A(0.5) H85B(0.5) C84B(0.5) H84A(0.5) H84B(0.5) C82B(0.5) H82A(0.5)
 H82B(0.5) C87B(0.5) H87A(0.5) H87B(0.5) C86B(0.5) H86A(0.5) H86B(0.5)
 C84A(0.5) H84C(0.5) H84D(0.5) C82A(0.5) H82C(0.5) H82D(0.5) C83A(0.5)
 H83C(0.5) H83D(0.5) C79B(0.5) H79A(0.5) H79B(0.5) C77A(0.5) H77A(0.5)
 H77B(0.5) C81A(0.5) H81C(0.5) H81D(0.5) C85A(0.5) H85C(0.5) H85D(0.5)
 C86A(0.5) H86C(0.5) H86D(0.5) C87A(0.5) H87C(0.5) H87D(0.5) C88A(0.5)
 H88C(0.5) H88D(0.5) C78B(0.5) H78C(0.5) H78D(0.5) C77B(0.5) H77C(0.5)
 H77D(0.5) C74A(0.33333) H74C(0.33333) H74D(0.33333) C75A(0.33333)
 H75C(0.33333) H75D(0.33333) C80A(0.5) H80C(0.5) H80D(0.5) C79A(0.5) H79C(0.5)
 H79D(0.5) O3A(0.5)
3.a Riding coordinates:
 N4(H4)
3.b Secondary CH2 refined with riding coordinates:
 C73(H73C,H73D), C73(H73A,H73B), C74B(H74A,H74B), C75B(H75A,H75B), C76(H76C,
 H76D), C76(H76A,H76B), C80B(H80A,H80B), C78A(H78A,H78B), C81B(H81A,H81B),
 C88B(H88A,H88B), C83B(H83A,H83B), C85B(H85A,H85B), C84B(H84A,H84B), C82B(H82A,
 H82B), C87B(H87A,H87B), C86B(H86A,H86B), C92(H92A,H92B), C90(H90A,H90B),
 C89(H89A,H89B), C91(H91A,H91B), C84A(H84C,H84D), C82A(H82C,H82D), C83A(H83C,
 H83D), C79B(H79A,H79B), C77A(H77A,H77B), C81A(H81C,H81D), C85A(H85C,H85D),
 C86A(H86C,H86D), C87A(H87C,H87D), C88A(H88C,H88D), C78B(H78C,H78D), C77B(H77C,
 H77D), C74A(H74C,H74D), C75A(H75C,H75D), C80A(H80C,H80D), C79A(H79C,H79D)
3.c Aromatic/amide H refined with riding coordinates:
 C53(H53), C8(H8), C30(H30), C42(H42), C12(H12), C66(H66), C38(H38), C54(H54),
 C26(H26), C62(H62), C29(H29), C39(H39), C41(H41), C9(H9), C27(H27), C40(H40),
 C28(H28), C52(H52), C48(H48), C47(H47), C14(H14), C5(H5), C44(H44), C32(H32),
 C2(H2), C6(H6), C60(H60), C51(H51), C34(H34), C36(H36), C15(H15), C46(H46),
 C56(H56), C18(H18), C45(H45), C20(H20), C22(H22), C68(H68), C24(H24), C58(H58),
  C4(H4A), C50(H50), C10(H10), C63(H63), C21(H21), C11(H11), C57(H57), C65(H65),
  C69(H69), C35(H35), C59(H59), C64(H64), C33(H33), C3(H3), C16(H16), C70(H70),
 C72(H72), C17(H17), C23(H23), C71(H71), C94(H94), C95(H95), C96(H96), C97(H97),
  C98(H98)
3.d Fitted hexagon refined as free rotating group:
 C93(C94,C95,C96,C97,C98)
3.e Idealised Me refined as rotating group:
 C99(H99A,H99B,H99C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.13491(3) 0.30845(2) 0.26906(2) 0.02883(10) Uani 1 1 d . . . . .
Lu1 Lu 0.18911(3) 0.48696(2) 0.23724(2) 0.03125(11) Uani 1 1 d . . . . .
P1 P 0.28616(16) 0.31310(14) 0.23046(9) 0.0316(5) Uani 1 1 d . . . . .
P2 P 0.00921(16) 0.32679(14) 0.19013(9) 0.0321(5) Uani 1 1 d . . . . .
P3 P 0.16597(16) 0.41782(13) 0.35712(9) 0.0319(5) Uani 1 1 d . . . . .
Cl1 Cl 0.30059(19) 0.61929(15) 0.20650(10) 0.0558(6) Uani 1 1 d . . . . .
N3 N 0.2323(5) 0.5090(4) 0.3417(3) 0.0348(16) Uani 1 1 d . . . . .
C13 C 0.3080(7) 0.2148(5) 0.1775(4) 0.035(2) Uani 1 1 d . . . . .
N4 N 0.2049(5) 0.1668(4) 0.3560(3) 0.0384(18) Uani 1 1 d . . . . .
H4 H 0.2110 0.2149 0.3834 0.046 Uiso 1 1 d R . . . .
C37 C 0.2853(6) 0.5845(5) 0.3858(4) 0.033(2) Uani 1 1 d . . . . .
C43 C 0.0519(6) 0.4507(5) 0.3861(3) 0.033(2) Uani 1 1 d . . . . .
C25 C -0.0095(6) 0.2451(5) 0.1178(3) 0.0327(19) Uani 1 1 d . . . . .
C53 C 0.4052(7) 0.3933(6) 0.4876(4) 0.046(2) Uani 1 1 d . . . . .
H53 H 0.4768 0.4099 0.4954 0.055 Uiso 1 1 calc R . . . .
P4 P 0.10497(18) 0.17256(14) 0.30243(10) 0.0374(6) Uani 1 1 d . . . . .
C8 C 0.4622(6) 0.4232(5) 0.3026(4) 0.035(2) Uani 1 1 d . . . . .
H8 H 0.4425 0.4679 0.2812 0.042 Uiso 1 1 calc R . . . .
N2 N 0.0416(5) 0.4269(4) 0.1733(3) 0.0352(17) Uani 1 1 d . . . . .
N1 N 0.2909(5) 0.3976(4) 0.1927(3) 0.0350(16) Uani 1 1 d . . . . .
C61 C -0.0084(7) 0.1547(5) 0.3386(4) 0.041(2) Uani 1 1 d . . . . .
C30 C -0.0444(7) 0.1536(6) 0.1158(4) 0.048(2) Uani 1 1 d . . . . .
H30 H -0.0590 0.1347 0.1515 0.058 Uiso 1 1 calc R . . . .
C42 C 0.3607(7) 0.6436(6) 0.3699(4) 0.044(2) Uani 1 1 d . . . . .
H42 H 0.3768 0.6302 0.3306 0.053 Uiso 1 1 calc R . . . .
C7 C 0.4043(6) 0.3358(5) 0.2880(3) 0.0334(19) Uani 1 1 d . . . . .
C12 C 0.4340(7) 0.2730(6) 0.3223(4) 0.041(2) Uani 1 1 d . . . . .
H12 H 0.3950 0.2148 0.3145 0.050 Uiso 1 1 calc R . . . .
C66 C -0.0014(7) 0.1451(5) 0.3999(4) 0.049(2) Uani 1 1 d . . . . .
H66 H 0.0617 0.1391 0.4223 0.059 Uiso 1 1 calc R . . . .
C38 C 0.2665(6) 0.6094(5) 0.4450(4) 0.041(2) Uani 1 1 d . . . . .
H38 H 0.2183 0.5713 0.4591 0.049 Uiso 1 1 calc R . . . .
C54 C 0.3491(7) 0.4133(5) 0.4371(4) 0.042(2) Uani 1 1 d . . . . .
H54 H 0.3824 0.4407 0.4095 0.051 Uiso 1 1 calc R . . . .
C26 C 0.0121(6) 0.2688(6) 0.0653(4) 0.043(2) Uani 1 1 d . . . . .
H26 H 0.0365 0.3297 0.0652 0.052 Uiso 1 1 calc R . . . .
C62 C -0.1046(8) 0.1607(5) 0.3075(4) 0.052(2) Uani 1 1 d . . . . .
H62 H -0.1113 0.1665 0.2663 0.062 Uiso 1 1 calc R . . . .
C49 C 0.2403(7) 0.3923(6) 0.4262(4) 0.037(2) Uani 1 1 d . . . . .
C29 C -0.0577(7) 0.0903(6) 0.0621(5) 0.059(3) Uani 1 1 d . . . . .
H29 H -0.0821 0.0293 0.0616 0.070 Uiso 1 1 calc R . . . .
C39 C 0.3169(7) 0.6888(6) 0.4834(4) 0.051(3) Uani 1 1 d . . . . .
H39 H 0.3011 0.7041 0.5226 0.061 Uiso 1 1 calc R . . . .
C41 C 0.4127(7) 0.7211(6) 0.4095(5) 0.049(3) Uani 1 1 d . . . . .
H41 H 0.4653 0.7576 0.3976 0.059 Uiso 1 1 calc R . . . .
C9 C 0.5474(7) 0.4438(6) 0.3480(4) 0.048(2) Uani 1 1 d . . . . .
H9 H 0.5864 0.5021 0.3569 0.057 Uiso 1 1 calc R . . . .
C27 C -0.0011(7) 0.2047(6) 0.0116(4) 0.053(3) Uani 1 1 d . . . . .
H27 H 0.0141 0.2229 -0.0242 0.063 Uiso 1 1 calc R . . . .
C40 C 0.3885(8) 0.7447(6) 0.4654(5) 0.053(3) Uani 1 1 d . . . . .
H40 H 0.4210 0.7993 0.4914 0.064 Uiso 1 1 calc R . . . .
C28 C -0.0357(8) 0.1163(7) 0.0102(4) 0.056(3) Uani 1 1 d . . . . .
H28 H -0.0443 0.0735 -0.0262 0.068 Uiso 1 1 calc R . . . .
C52 C 0.3595(8) 0.3501(6) 0.5268(4) 0.049(2) Uani 1 1 d . . . . .
H52 H 0.3997 0.3356 0.5606 0.058 Uiso 1 1 calc R . . . .
O1 O 0.0922(4) 0.6089(4) 0.2638(3) 0.0493(16) Uani 1 1 d . . . . .
C73 C 0.1368(8) 0.6992(6) 0.2914(5) 0.073(3) Uani 1 1 d . . . . .
H73C H 0.1266 0.7130 0.3339 0.087 Uiso 0.5 1 calc R . P A 2
H73D H 0.2105 0.7090 0.2908 0.087 Uiso 0.5 1 calc R . P A 2
H73A H 0.1833 0.7242 0.2667 0.087 Uiso 0.5 1 calc R . P A 1
H73B H 0.1756 0.7017 0.3323 0.087 Uiso 0.5 1 calc R . P A 1
C74B C 0.0861(11) 0.7538(9) 0.2560(7) 0.051(4) Uiso 0.6667 1 d . . P B 2
H74A H 0.1239 0.7665 0.2237 0.061 Uiso 0.6667 1 calc R . P B 2
H74B H 0.0818 0.8115 0.2819 0.061 Uiso 0.6667 1 calc R . P B 2
C75B C -0.0173(11) 0.7046(9) 0.2289(7) 0.048(4) Uiso 0.6667 1 d . . P B 2
H75A H -0.0290 0.6957 0.1842 0.057 Uiso 0.6667 1 calc R . P B 2
H75B H -0.0701 0.7364 0.2443 0.057 Uiso 0.6667 1 calc R . P B 2
C76 C -0.0158(7) 0.6127(6) 0.2509(5) 0.055(3) Uani 1 1 d . . . . .
H76C H -0.0466 0.6125 0.2875 0.066 Uiso 0.6667 1 calc R . P B 2
H76D H -0.0520 0.5618 0.2187 0.066 Uiso 0.6667 1 calc R . P B 2
H76A H -0.0426 0.5825 0.2084 0.066 Uiso 0.3333 1 calc R . P B 1
H76B H -0.0503 0.5784 0.2770 0.066 Uiso 0.3333 1 calc R . P B 1
C48 C -0.0179(7) 0.3847(6) 0.4001(4) 0.045(3) Uani 1 1 d . . . . .
H48 H -0.0062 0.3244 0.3952 0.053 Uiso 1 1 calc R . . . .
C47 C -0.1055(7) 0.4079(7) 0.4216(4) 0.050(3) Uani 1 1 d . . . . .
H47 H -0.1523 0.3635 0.4315 0.060 Uiso 1 1 calc R . . . .
C55 C 0.2340(7) 0.1003(5) 0.3874(4) 0.034(2) Uani 1 1 d . . . . .
C14 C 0.3952(7) 0.1737(6) 0.1814(4) 0.046(2) Uani 1 1 d . . . . .
H14 H 0.4490 0.1964 0.2147 0.055 Uiso 1 1 calc R . . . .
C31 C -0.1223(6) 0.3209(5) 0.2052(3) 0.0310(19) Uani 1 1 d . . . . .
C5 C 0.5034(7) 0.3857(6) 0.1038(4) 0.045(2) Uani 1 1 d . . . . .
H5 H 0.5678 0.3669 0.1063 0.054 Uiso 1 1 calc R . . . .
O4 O 0.5563(6) 0.6929(5) 0.2079(4) 0.093(3) Uani 1 1 d . . . . .
C1 C 0.3518(6) 0.4046(5) 0.1463(4) 0.032(2) Uani 1 1 d . . . . .
C44 C 0.0316(7) 0.5372(6) 0.3943(4) 0.040(2) Uani 1 1 d . . . . .
H44 H 0.0784 0.5828 0.3855 0.048 Uiso 1 1 calc R . . . .
C32 C -0.1385(7) 0.3781(6) 0.2558(4) 0.041(2) Uani 1 1 d . . . . .
H32 H -0.0819 0.4177 0.2806 0.050 Uiso 1 1 calc R . . . .
C2 C 0.3158(7) 0.4373(6) 0.0960(4) 0.049(3) Uani 1 1 d . . . . .
H2 H 0.2511 0.4555 0.0929 0.059 Uiso 1 1 calc R . . . .
C19 C -0.0116(6) 0.4677(5) 0.1282(3) 0.033(2) Uani 1 1 d . . . . .
C6 C 0.4497(7) 0.3800(5) 0.1492(4) 0.041(2) Uani 1 1 d . . . . .
H6 H 0.4785 0.3591 0.1838 0.049 Uiso 1 1 calc R . . . .
C60 C 0.1815(7) 0.0129(6) 0.3780(4) 0.048(2) Uani 1 1 d . . . . .
H60 H 0.1203 -0.0046 0.3494 0.058 Uiso 1 1 calc R . . . .
C51 C 0.2562(8) 0.3279(6) 0.5173(4) 0.054(3) Uani 1 1 d . . . . .
H51 H 0.2246 0.2991 0.5448 0.065 Uiso 1 1 calc R . . . .
C34 C -0.3165(7) 0.3218(6) 0.2375(4) 0.051(2) Uani 1 1 d . . . . .
H34 H -0.3811 0.3222 0.2489 0.061 Uiso 1 1 calc R . . . .
C36 C -0.2088(7) 0.2634(6) 0.1709(4) 0.048(2) Uani 1 1 d . . . . .
H36 H -0.2018 0.2232 0.1357 0.058 Uiso 1 1 calc R . . . .
C15 C 0.4055(8) 0.1013(6) 0.1383(4) 0.056(3) Uani 1 1 d . . . . .
H15 H 0.4650 0.0747 0.1430 0.067 Uiso 1 1 calc R . . . .
C46 C -0.1227(7) 0.4952(7) 0.4279(4) 0.056(3) Uani 1 1 d . . . . .
H46 H -0.1822 0.5107 0.4415 0.067 Uiso 1 1 calc R . . . .
C56 C 0.3231(8) 0.1221(7) 0.4310(4) 0.055(3) Uani 1 1 d . . . . .
H56 H 0.3605 0.1810 0.4388 0.067 Uiso 1 1 calc R . . . .
C18 C 0.2344(7) 0.1790(6) 0.1275(4) 0.050(3) Uani 1 1 d . . . . .
H18 H 0.1745 0.2052 0.1230 0.060 Uiso 1 1 calc R . . . .
C45 C -0.0542(7) 0.5598(6) 0.4148(4) 0.051(3) Uani 1 1 d . . . . .
H45 H -0.0658 0.6200 0.4197 0.061 Uiso 1 1 calc R . . . .
C20 C 0.0415(7) 0.5355(6) 0.1075(4) 0.043(2) Uani 1 1 d . . . . .
H20 H 0.1125 0.5512 0.1215 0.052 Uiso 1 1 calc R . . . .
C22 C -0.1073(8) 0.5624(6) 0.0462(4) 0.059(3) Uani 1 1 d . . . . .
H22 H -0.1395 0.5948 0.0190 0.070 Uiso 1 1 calc R . . . .
C68 C 0.0045(8) 0.0071(6) 0.2254(4) 0.066(3) Uani 1 1 d . . . . .
H68 H -0.0561 0.0186 0.2393 0.079 Uiso 1 1 calc R . . . .
C24 C -0.1156(8) 0.4467(6) 0.1076(4) 0.054(3) Uani 1 1 d . . . . .
H24 H -0.1545 0.4008 0.1214 0.065 Uiso 1 1 calc R . . . .
O2 O 0.3829(7) 0.7544(6) 0.1123(4) 0.102(3) Uani 1 1 d . . . . .
C80B C 0.453(3) 0.775(3) 0.0699(18) 0.162(14) Uiso 0.5 1 d . . P C 2
H80A H 0.5090 0.8240 0.0909 0.194 Uiso 0.5 1 calc R . P C 2
H80B H 0.4835 0.7215 0.0560 0.194 Uiso 0.5 1 calc R . P C 2
C78A C 0.321(3) 0.7313(18) 0.0080(12) 0.096(9) Uiso 0.5 1 d . . P C 1
H78A H 0.3676 0.7224 -0.0210 0.115 Uiso 0.5 1 calc R . P C 1
H78B H 0.2515 0.7022 -0.0128 0.115 Uiso 0.5 1 calc R . P C 1
C58 C 0.3058(9) -0.0261(7) 0.4521(5) 0.068(3) Uani 1 1 d . . . . .
H58 H 0.3298 -0.0696 0.4732 0.082 Uiso 1 1 calc R . . . .
C4 C 0.4646(8) 0.4185(6) 0.0542(4) 0.058(3) Uani 1 1 d . . . . .
H4A H 0.5027 0.4233 0.0229 0.070 Uiso 1 1 calc R . . . .
O3B O 0.4254(12) 0.8513(10) 0.2381(7) 0.065(5) Uiso 0.5 1 d . . P D 2
C67 C 0.0917(7) 0.0647(6) 0.2485(4) 0.046(2) Uani 1 1 d . . . . .
C50 C 0.1976(7) 0.3478(5) 0.4669(3) 0.040(2) Uani 1 1 d . . . . .
H50 H 0.1261 0.3303 0.4601 0.048 Uiso 1 1 calc R . . . .
C10 C 0.5760(6) 0.3798(7) 0.3807(4) 0.052(3) Uani 1 1 d . . . . .
H10 H 0.6340 0.3945 0.4119 0.062 Uiso 1 1 calc R . . . .
C63 C -0.1901(9) 0.1586(7) 0.3343(6) 0.071(3) Uani 1 1 d . . . . .
H63 H -0.2540 0.1633 0.3123 0.085 Uiso 1 1 calc R . . . .
C21 C -0.0060(8) 0.5819(6) 0.0664(4) 0.054(3) Uani 1 1 d . . . . .
H21 H 0.0333 0.6275 0.0527 0.065 Uiso 1 1 calc R . . . .
C11 C 0.5198(7) 0.2946(7) 0.3675(4) 0.050(3) Uani 1 1 d . . . . .
H11 H 0.5398 0.2507 0.3895 0.059 Uiso 1 1 calc R . . . .
C57 C 0.3584(8) 0.0588(7) 0.4633(4) 0.064(3) Uani 1 1 d . . . . .
H57 H 0.4186 0.0751 0.4928 0.076 Uiso 1 1 calc R . . . .
C65 C -0.0869(9) 0.1445(6) 0.4273(5) 0.058(3) Uani 1 1 d . . . . .
H65 H -0.0809 0.1407 0.4688 0.069 Uiso 1 1 calc R . . . .
C69 C 0.0021(10) -0.0706(8) 0.1805(5) 0.085(4) Uani 1 1 d . . . . .
H69 H -0.0601 -0.1091 0.1632 0.102 Uiso 1 1 calc R . . . .
C35 C -0.3058(7) 0.2631(7) 0.1867(4) 0.059(3) Uani 1 1 d . . . . .
H35 H -0.3628 0.2231 0.1628 0.071 Uiso 1 1 calc R . . . .
C59 C 0.2182(9) -0.0480(6) 0.4101(5) 0.060(3) Uani 1 1 d . . . . .
H59 H 0.1814 -0.1070 0.4029 0.072 Uiso 1 1 calc R . . . .
C64 C -0.1792(9) 0.1494(6) 0.3950(5) 0.066(3) Uani 1 1 d . . . . .
H64 H -0.2370 0.1465 0.4140 0.080 Uiso 1 1 calc R . . . .
C33 C -0.2323(7) 0.3803(7) 0.2720(4) 0.056(3) Uani 1 1 d . . . . .
H33 H -0.2396 0.4216 0.3066 0.067 Uiso 1 1 calc R . . . .
C3 C 0.3702(7) 0.4446(6) 0.0499(4) 0.057(3) Uani 1 1 d . . . . .
H3 H 0.3430 0.4672 0.0157 0.069 Uiso 1 1 calc R . . . .
C16 C 0.3289(9) 0.0675(7) 0.0883(5) 0.067(3) Uani 1 1 d . . . . .
H16 H 0.3362 0.0187 0.0584 0.080 Uiso 1 1 calc R . . . .
C70 C 0.0905(13) -0.0892(7) 0.1625(5) 0.084(4) Uani 1 1 d . . . . .
H70 H 0.0898 -0.1412 0.1330 0.101 Uiso 1 1 calc R . . . .
C72 C 0.1828(9) 0.0428(6) 0.2299(4) 0.063(3) Uani 1 1 d . . . . .
H72 H 0.2458 0.0803 0.2468 0.076 Uiso 1 1 calc R . . . .
C17 C 0.2419(8) 0.1061(7) 0.0826(4) 0.065(3) Uani 1 1 d . . . . .
H17 H 0.1883 0.0839 0.0492 0.077 Uiso 1 1 calc R . . . .
C23 C -0.1638(8) 0.4935(7) 0.0659(4) 0.075(3) Uani 1 1 d . . . . .
H23 H -0.2347 0.4781 0.0514 0.090 Uiso 1 1 calc R . . . .
C81B C 0.372(2) 0.881(2) 0.2789(14) 0.078(11) Uiso 0.5 1 d . . P D 2
H81A H 0.3393 0.8306 0.2950 0.094 Uiso 0.5 1 calc R . P D 2
H81B H 0.3185 0.9119 0.2611 0.094 Uiso 0.5 1 calc R . P D 2
C88B C 0.577(3) 0.630(3) 0.1560(16) 0.102(12) Uiso 0.5 1 d . . P E 2
H88A H 0.5763 0.6586 0.1202 0.123 Uiso 0.5 1 calc R . P E 2
H88B H 0.5248 0.5757 0.1455 0.123 Uiso 0.5 1 calc R . P E 2
C83B C 0.508(2) 0.9934(16) 0.2836(12) 0.076(7) Uiso 0.5 1 d . . P D 2
H83A H 0.4772 1.0448 0.2732 0.091 Uiso 0.5 1 calc R . P D 2
H83B H 0.5821 1.0135 0.2978 0.091 Uiso 0.5 1 calc R . P D 2
Li1 Li 0.4225(15) 0.7332(12) 0.1943(8) 0.079(6) Uani 1 1 d . . . . .
C85B C 0.592(3) 0.655(3) 0.2650(16) 0.125(12) Uiso 0.5 1 d . . P E 2
H85A H 0.6291 0.7022 0.2992 0.150 Uiso 0.5 1 calc R . P E 2
H85B H 0.5354 0.6199 0.2779 0.150 Uiso 0.5 1 calc R . P E 2
C84B C 0.491(2) 0.9233(16) 0.2336(11) 0.089(8) Uiso 0.5 1 d . . P D 2
H84A H 0.4640 0.9459 0.1972 0.106 Uiso 0.5 1 calc R . P D 2
H84B H 0.5563 0.9040 0.2278 0.106 Uiso 0.5 1 calc R . P D 2
C82B C 0.420(2) 0.9818(16) 0.2958(13) 0.094(8) Uiso 0.5 1 d . . P D 1
H82A H 0.4088 0.9906 0.2534 0.112 Uiso 0.5 1 calc R . P D 1
H82B H 0.3855 1.0237 0.3206 0.112 Uiso 0.5 1 calc R . P D 1
C71 C 0.1784(11) -0.0340(7) 0.1867(5) 0.081(4) Uani 1 1 d . . . . .
H71 H 0.2391 -0.0479 0.1739 0.097 Uiso 1 1 calc R . . . .
C87B C 0.679(4) 0.605(3) 0.1735(19) 0.19(2) Uiso 0.5 1 d . . P E 2
H87A H 0.7360 0.6531 0.1737 0.223 Uiso 0.5 1 calc R . P E 2
H87B H 0.6886 0.5479 0.1488 0.223 Uiso 0.5 1 calc R . P E 2
C86B C 0.662(3) 0.596(2) 0.2381(17) 0.102(11) Uiso 0.5 1 d . . P E 2
H86A H 0.6332 0.5326 0.2370 0.123 Uiso 0.5 1 calc R . P E 2
H86B H 0.7282 0.6092 0.2656 0.123 Uiso 0.5 1 calc R . P E 2
O5 O 0.7731(11) 0.8715(8) 0.3471(6) 0.186(5) Uiso 1 1 d . . . . .
C92 C 0.8716(14) 0.8936(11) 0.3481(7) 0.146(6) Uiso 1 1 d . . . . .
H92A H 0.8899 0.9583 0.3485 0.175 Uiso 1 1 calc R . . . .
H92B H 0.8929 0.8588 0.3128 0.175 Uiso 1 1 calc R . . . .
C90 C 0.8518(10) 0.9048(9) 0.4473(6) 0.112(5) Uiso 1 1 d . . . . .
H90A H 0.8761 0.9690 0.4649 0.135 Uiso 1 1 calc R . . . .
H90B H 0.8456 0.8715 0.4804 0.135 Uiso 1 1 calc R . . . .
C89 C 0.7518(12) 0.8924(11) 0.4046(7) 0.139(6) Uiso 1 1 d . . . . .
H89A H 0.7036 0.8432 0.4125 0.167 Uiso 1 1 calc R . . . .
H89B H 0.7218 0.9480 0.4097 0.167 Uiso 1 1 calc R . . . .
C93 C 0.2843(9) 0.1531(7) -0.0993(6) 0.186(8) Uiso 1 1 d . . . . .
C94 C 0.3151(9) 0.0865(10) -0.0688(4) 0.175(7) Uiso 1 1 d G . . . .
H94 H 0.3300 0.0980 -0.0259 0.210 Uiso 1 1 calc R . . . .
C95 C 0.3240(8) 0.0027(8) -0.1018(6) 0.165(7) Uiso 1 1 d G . . . .
H95 H 0.3449 -0.0423 -0.0812 0.198 Uiso 1 1 calc R . . . .
C96 C 0.3021(9) -0.0144(7) -0.1653(6) 0.158(7) Uiso 1 1 d G . . . .
H96 H 0.3081 -0.0710 -0.1876 0.190 Uiso 1 1 calc R . . . .
C97 C 0.2712(9) 0.0523(10) -0.1958(4) 0.187(8) Uiso 1 1 d G . . . .
H97 H 0.2563 0.0407 -0.2387 0.224 Uiso 1 1 calc R . . . .
C98 C 0.2623(8) 0.1360(8) -0.1628(7) 0.155(6) Uiso 1 1 d G . . . .
H98 H 0.2414 0.1811 -0.1834 0.187 Uiso 1 1 calc R . . . .
C91 C 0.9204(15) 0.8686(13) 0.4090(8) 0.179(7) Uiso 1 1 d . . . . .
H91A H 0.9169 0.8031 0.4057 0.214 Uiso 1 1 calc R . . . .
H91B H 0.9915 0.8988 0.4232 0.214 Uiso 1 1 calc R . . . .
C99 C 0.2644(14) 0.2328(12) -0.0633(8) 0.198(8) Uiso 1 1 d . . . . .
H99A H 0.1947 0.2232 -0.0558 0.297 Uiso 1 1 calc GR . . . .
H99B H 0.2732 0.2826 -0.0848 0.297 Uiso 1 1 calc GR . . . .
H99C H 0.3118 0.2472 -0.0246 0.297 Uiso 1 1 calc GR . . . .
C84A C 0.540(3) 0.907(2) 0.2755(17) 0.157(13) Uiso 0.5 1 d . . P D 1
H84C H 0.5544 0.9247 0.2376 0.189 Uiso 0.5 1 calc R . P D 1
H84D H 0.5988 0.8820 0.2937 0.189 Uiso 0.5 1 calc R . P D 1
C82A C 0.457(2) 0.9539(18) 0.3353(12) 0.100(8) Uiso 0.5 1 d . . P D 2
H82C H 0.4261 0.9978 0.3605 0.120 Uiso 0.5 1 calc R . P D 2
H82D H 0.5027 0.9240 0.3608 0.120 Uiso 0.5 1 calc R . P D 2
C83A C 0.522(2) 0.989(2) 0.3200(16) 0.116(11) Uiso 0.5 1 d . . P D 1
H83C H 0.5338 0.9810 0.3625 0.139 Uiso 0.5 1 calc R . P D 1
H83D H 0.5629 1.0453 0.3161 0.139 Uiso 0.5 1 calc R . P D 1
C79B C 0.402(2) 0.7992(19) 0.0233(13) 0.096(8) Uiso 0.5 1 d . . P C 2
H79A H 0.4191 0.7698 -0.0151 0.115 Uiso 0.5 1 calc R . P C 2
H79B H 0.4155 0.8649 0.0265 0.115 Uiso 0.5 1 calc R . P C 2
C77A C 0.353(3) 0.690(2) 0.0623(16) 0.141(12) Uiso 0.5 1 d . . P C 1
H77A H 0.2955 0.6474 0.0680 0.170 Uiso 0.5 1 calc R . P C 1
H77B H 0.4093 0.6570 0.0551 0.170 Uiso 0.5 1 calc R . P C 1
C81A C 0.386(2) 0.8800(18) 0.3008(14) 0.069(9) Uiso 0.5 1 d . . P D 1
H81C H 0.4027 0.8705 0.3428 0.083 Uiso 0.5 1 calc R . P D 1
H81D H 0.3129 0.8591 0.2850 0.083 Uiso 0.5 1 calc R . P D 1
C85A C 0.598(2) 0.706(2) 0.2648(15) 0.112(11) Uiso 0.5 1 d . . P E 1
H85C H 0.5460 0.6916 0.2896 0.135 Uiso 0.5 1 calc R . P E 1
H85D H 0.6303 0.7691 0.2795 0.135 Uiso 0.5 1 calc R . P E 1
C86A C 0.684(2) 0.6382(19) 0.2690(12) 0.096(9) Uiso 0.5 1 d . . P E 1
H86C H 0.7531 0.6727 0.2802 0.115 Uiso 0.5 1 calc R . P E 1
H86D H 0.6729 0.6000 0.2991 0.115 Uiso 0.5 1 calc R . P E 1
C87A C 0.665(3) 0.580(2) 0.2028(18) 0.103(10) Uiso 0.5 1 d . . P E 1
H87C H 0.7233 0.5921 0.1821 0.123 Uiso 0.5 1 calc R . P E 1
H87D H 0.6502 0.5151 0.2026 0.123 Uiso 0.5 1 calc R . P E 1
C88A C 0.574(3) 0.615(2) 0.1752(16) 0.091(12) Uiso 0.5 1 d . . P E 1
H88C H 0.5820 0.6243 0.1343 0.110 Uiso 0.5 1 calc R . P E 1
H88D H 0.5132 0.5685 0.1706 0.110 Uiso 0.5 1 calc R . P E 1
C78B C 0.276(3) 0.763(3) 0.0273(19) 0.138(14) Uiso 0.5 1 d . . P C 2
H78C H 0.2389 0.8149 0.0320 0.166 Uiso 0.5 1 calc R . P C 2
H78D H 0.2420 0.7204 -0.0101 0.166 Uiso 0.5 1 calc R . P C 2
C77B C 0.2760(19) 0.7252(16) 0.0733(11) 0.081(7) Uiso 0.5 1 d . . P C 2
H77C H 0.2614 0.6593 0.0601 0.097 Uiso 0.5 1 calc R . P C 2
H77D H 0.2240 0.7443 0.0967 0.097 Uiso 0.5 1 calc R . P C 2
C74A C 0.052(4) 0.750(3) 0.295(2) 0.125(16) Uiso 0.3333 1 d . . P B 1
H74C H 0.0435 0.7659 0.3375 0.150 Uiso 0.3333 1 calc R . P B 1
H74D H 0.0665 0.8055 0.2794 0.150 Uiso 0.3333 1 calc R . P B 1
C75A C -0.039(4) 0.694(3) 0.259(2) 0.115(16) Uiso 0.3333 1 d . . P B 1
H75C H -0.0973 0.6971 0.2806 0.138 Uiso 0.3333 1 calc R . P B 1
H75D H -0.0570 0.7127 0.2196 0.138 Uiso 0.3333 1 calc R . P B 1
C80A C 0.410(3) 0.831(2) 0.0924(16) 0.140(12) Uiso 0.5 1 d . . P C 1
H80C H 0.4800 0.8376 0.0848 0.168 Uiso 0.5 1 calc R . P C 1
H80D H 0.4012 0.8849 0.1212 0.168 Uiso 0.5 1 calc R . P C 1
C79A C 0.322(5) 0.813(3) 0.026(2) 0.20(2) Uiso 0.5 1 d . . P C 1
H79C H 0.2545 0.8253 0.0334 0.236 Uiso 0.5 1 calc R . P C 1
H79D H 0.3448 0.8483 -0.0032 0.236 Uiso 0.5 1 calc R . P C 1
O3A O 0.4475(13) 0.8389(11) 0.2628(8) 0.076(5) Uiso 0.5 1 d . . P D 1


_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
Pt1 Lu1 2.9523(9) . ?
Pt1 P1 2.321(2) . ?
Pt1 P2 2.337(2) . ?
Pt1 P3 2.307(2) . ?
Pt1 P4 2.324(2) . ?
Lu1 P1 3.085(2) . ?
Lu1 P2 3.107(2) . ?
Lu1 P3 3.109(2) . ?
Lu1 Cl1 2.601(2) . ?
Lu1 N3 2.297(6) . ?
Lu1 N2 2.242(6) . ?
Lu1 N1 2.269(6) . ?
Lu1 O1 2.442(6) . ?
P1 C13 1.833(9) . ?
P1 N1 1.658(7) . ?
P1 C7 1.839(8) . ?
P2 C25 1.835(8) . ?
P2 N2 1.650(6) . ?
P2 C31 1.838(8) . ?
P3 N3 1.664(6) . ?
P3 C43 1.845(8) . ?
P3 C49 1.846(9) . ?
Cl1 Li1 2.302(17) . ?
N3 C37 1.411(9) . ?
C13 C14 1.392(12) . ?
C13 C18 1.359(11) . ?
N4 P4 1.683(7) . ?
N4 C55 1.393(9) . ?
C37 C42 1.392(11) . ?
C37 C38 1.395(11) . ?
C43 C48 1.390(11) . ?
C43 C44 1.364(10) . ?
C25 C30 1.400(11) . ?
C25 C26 1.358(11) . ?
C53 C54 1.370(11) . ?
C53 C52 1.359(12) . ?
P4 C61 1.842(9) . ?
P4 C67 1.838(9) . ?
C8 C7 1.407(10) . ?
C8 C9 1.374(11) . ?
N2 C19 1.427(9) . ?
N1 C1 1.432(10) . ?
C61 C66 1.406(11) . ?
C61 C62 1.391(12) . ?
C30 C29 1.383(11) . ?
C42 C41 1.381(11) . ?
C7 C12 1.388(10) . ?
C12 C11 1.378(11) . ?
C66 C65 1.381(12) . ?
C38 C39 1.382(10) . ?
C54 C49 1.424(11) . ?
C26 C27 1.390(10) . ?
C62 C63 1.374(12) . ?
C49 C50 1.378(11) . ?
C29 C28 1.360(13) . ?
C39 C40 1.353(12) . ?
C41 C40 1.351(12) . ?
C9 C10 1.376(12) . ?
C27 C28 1.356(12) . ?
C52 C51 1.355(12) . ?
O1 C73 1.418(9) . ?
O1 C76 1.442(10) . ?
C73 C74B 1.413(15) . ?
C73 C74A 1.45(4) . ?
C74B C75B 1.471(18) . ?
C75B C76 1.561(16) . ?
C76 C75A 1.31(4) . ?
C48 C47 1.399(12) . ?
C47 C46 1.364(12) . ?
C55 C60 1.384(11) . ?
C55 C56 1.388(12) . ?
C14 C15 1.375(11) . ?
C31 C32 1.377(10) . ?
C31 C36 1.391(10) . ?
C5 C6 1.348(11) . ?
C5 C4 1.361(11) . ?
O4 C88B 1.47(3) . ?
O4 Li1 1.97(2) . ?
O4 C85B 1.54(4) . ?
O4 C85A 1.29(3) . ?
O4 C88A 1.35(3) . ?
C1 C2 1.362(11) . ?
C1 C6 1.405(11) . ?
C44 C45 1.364(11) . ?
C32 C33 1.364(11) . ?
C2 C3 1.371(12) . ?
C19 C20 1.363(10) . ?
C19 C24 1.376(11) . ?
C60 C59 1.365(12) . ?
C51 C50 1.381(11) . ?
C34 C35 1.365(11) . ?
C34 C33 1.379(11) . ?
C36 C35 1.398(11) . ?
C15 C16 1.380(12) . ?
C46 C45 1.356(12) . ?
C56 C57 1.391(12) . ?
C18 C17 1.393(11) . ?
C20 C21 1.386(11) . ?
C22 C21 1.339(12) . ?
C22 C23 1.387(13) . ?
C68 C67 1.339(11) . ?
C68 C69 1.413(13) . ?
C24 C23 1.405(12) . ?
O2 C80B 1.49(4) . ?
O2 Li1 1.94(2) . ?
O2 C77A 1.33(3) . ?
O2 C77B 1.53(2) . ?
O2 C80A 1.35(3) . ?
C80B C79B 1.30(4) . ?
C78A C77A 1.50(4) . ?
C78A C79A 1.23(5) . ?
C58 C57 1.348(12) . ?
C58 C59 1.355(13) . ?
C4 C3 1.367(12) . ?
O3B C81B 1.31(3) . ?
O3B Li1 1.89(2) . ?
O3B C84B 1.34(2) . ?
C67 C72 1.410(12) . ?
C10 C11 1.369(12) . ?
C63 C64 1.387(14) . ?
C65 C64 1.354(13) . ?
C69 C70 1.356(15) . ?
C16 C17 1.370(13) . ?
C70 C71 1.333(15) . ?
C72 C71 1.375(12) . ?
C81B C82A 1.70(4) . ?
C88B C87B 1.48(5) . ?
C83B C84B 1.38(3) . ?
C83B C82A 1.60(4) . ?
Li1 O3A 1.98(2) . ?
C85B C86B 1.50(4) . ?
C82B C83A 1.38(4) . ?
C82B C81A 1.58(4) . ?
C87B C86B 1.54(5) . ?
O5 C92 1.312(17) . ?
O5 C89 1.366(15) . ?
C92 C91 1.56(2) . ?
C90 C89 1.493(17) . ?
C90 C91 1.451(18) . ?
C93 C94 1.3900 . ?
C93 C98 1.3900 . ?
C93 C99 1.419(18) . ?
C94 C95 1.3900 . ?
C95 C96 1.3900 . ?
C96 C97 1.3900 . ?
C97 C98 1.3900 . ?
C84A C83A 1.53(4) . ?
C84A O3A 1.46(3) . ?
C79B C78B 1.73(5) . ?
C81A O3A 1.40(3) . ?
C85A C86A 1.64(4) . ?
C86A C87A 1.57(4) . ?
C87A C88A 1.49(4) . ?
C78B C77B 1.27(4) . ?
C74A C75A 1.44(5) . ?
C80A C79A 1.72(5) . ?

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
P1 Pt1 Lu1 70.46(6) . . ?
P1 Pt1 P2 106.10(8) . . ?
P1 Pt1 P4 107.98(9) . . ?
P2 Pt1 Lu1 70.87(6) . . ?
P3 Pt1 Lu1 71.28(6) . . ?
P3 Pt1 P1 106.85(8) . . ?
P3 Pt1 P2 116.32(8) . . ?
P3 Pt1 P4 104.49(8) . . ?
P4 Pt1 Lu1 174.38(6) . . ?
P4 Pt1 P2 114.64(8) . . ?
Pt1 Lu1 P1 45.15(4) . . ?
Pt1 Lu1 P2 45.28(4) . . ?
Pt1 Lu1 P3 44.66(4) . . ?
P1 Lu1 P2 73.90(6) . . ?
P1 Lu1 P3 73.74(6) . . ?
P2 Lu1 P3 78.80(6) . . ?
Cl1 Lu1 Pt1 158.19(6) . . ?
Cl1 Lu1 P1 113.39(7) . . ?
Cl1 Lu1 P2 144.52(7) . . ?
Cl1 Lu1 P3 136.57(7) . . ?
N3 Lu1 Pt1 74.13(15) . . ?
N3 Lu1 P1 87.83(16) . . ?
N3 Lu1 P2 109.86(16) . . ?
N3 Lu1 P3 31.52(15) . . ?
N3 Lu1 Cl1 105.19(16) . . ?
N3 Lu1 O1 81.4(2) . . ?
N2 Lu1 Pt1 76.15(16) . . ?
N2 Lu1 P1 97.46(16) . . ?
N2 Lu1 P2 30.87(16) . . ?
N2 Lu1 P3 104.40(17) . . ?
N2 Lu1 Cl1 116.23(18) . . ?
N2 Lu1 N3 131.5(2) . . ?
N2 Lu1 N1 97.7(2) . . ?
N2 Lu1 O1 81.9(2) . . ?
N1 Lu1 Pt1 74.66(16) . . ?
N1 Lu1 P1 31.65(17) . . ?
N1 Lu1 P2 87.66(16) . . ?
N1 Lu1 P3 104.30(17) . . ?
N1 Lu1 Cl1 85.51(17) . . ?
N1 Lu1 N3 110.1(2) . . ?
N1 Lu1 O1 163.6(2) . . ?
O1 Lu1 Pt1 120.71(15) . . ?
O1 Lu1 P1 164.74(15) . . ?
O1 Lu1 P2 99.54(14) . . ?
O1 Lu1 P3 91.59(15) . . ?
O1 Lu1 Cl1 80.08(15) . . ?
Pt1 P1 Lu1 64.40(6) . . ?
C13 P1 Pt1 119.9(3) . . ?
C13 P1 Lu1 143.3(3) . . ?
C13 P1 C7 101.6(4) . . ?
N1 P1 Pt1 106.5(2) . . ?
N1 P1 Lu1 45.9(2) . . ?
N1 P1 C13 105.7(4) . . ?
N1 P1 C7 106.7(3) . . ?
C7 P1 Pt1 115.5(3) . . ?
C7 P1 Lu1 108.6(2) . . ?
Pt1 P2 Lu1 63.84(5) . . ?
C25 P2 Pt1 116.8(3) . . ?
C25 P2 Lu1 125.9(3) . . ?
C25 P2 C31 101.5(3) . . ?
N2 P2 Pt1 108.0(2) . . ?
N2 P2 Lu1 44.2(2) . . ?
N2 P2 C25 105.7(3) . . ?
N2 P2 C31 107.1(3) . . ?
C31 P2 Pt1 116.9(3) . . ?
C31 P2 Lu1 127.5(2) . . ?
Pt1 P3 Lu1 64.06(5) . . ?
N3 P3 Pt1 106.6(2) . . ?
N3 P3 Lu1 46.2(2) . . ?
N3 P3 C43 108.4(3) . . ?
N3 P3 C49 106.7(4) . . ?
C43 P3 Pt1 116.0(2) . . ?
C43 P3 Lu1 111.2(3) . . ?
C43 P3 C49 101.2(4) . . ?
C49 P3 Pt1 117.4(3) . . ?
C49 P3 Lu1 142.7(3) . . ?
Li1 Cl1 Lu1 169.1(6) . . ?
P3 N3 Lu1 102.3(3) . . ?
C37 N3 Lu1 131.8(5) . . ?
C37 N3 P3 125.1(5) . . ?
C14 C13 P1 126.7(6) . . ?
C18 C13 P1 118.1(7) . . ?
C18 C13 C14 115.2(8) . . ?
C55 N4 P4 134.8(6) . . ?
C42 C37 N3 119.2(8) . . ?
C42 C37 C38 114.8(8) . . ?
C38 C37 N3 125.9(8) . . ?
C48 C43 P3 119.0(6) . . ?
C44 C43 P3 123.2(6) . . ?
C44 C43 C48 117.7(8) . . ?
C30 C25 P2 119.9(6) . . ?
C26 C25 P2 122.8(6) . . ?
C26 C25 C30 117.2(8) . . ?
C52 C53 C54 121.4(9) . . ?
N4 P4 Pt1 109.0(2) . . ?
N4 P4 C61 105.1(4) . . ?
N4 P4 C67 102.6(4) . . ?
C61 P4 Pt1 116.5(3) . . ?
C67 P4 Pt1 120.0(3) . . ?
C67 P4 C61 101.9(4) . . ?
C9 C8 C7 120.4(8) . . ?
P2 N2 Lu1 104.9(3) . . ?
C19 N2 Lu1 126.7(5) . . ?
C19 N2 P2 128.3(5) . . ?
P1 N1 Lu1 102.5(3) . . ?
C1 N1 Lu1 134.1(5) . . ?
C1 N1 P1 123.3(5) . . ?
C66 C61 P4 122.6(7) . . ?
C62 C61 P4 120.0(7) . . ?
C62 C61 C66 117.0(9) . . ?
C29 C30 C25 121.2(9) . . ?
C41 C42 C37 122.6(9) . . ?
C8 C7 P1 119.0(6) . . ?
C12 C7 P1 122.9(6) . . ?
C12 C7 C8 117.8(7) . . ?
C11 C12 C7 121.0(8) . . ?
C65 C66 C61 120.2(9) . . ?
C39 C38 C37 121.8(8) . . ?
C53 C54 C49 119.9(8) . . ?
C25 C26 C27 121.2(8) . . ?
C63 C62 C61 122.9(9) . . ?
C54 C49 P3 119.3(7) . . ?
C50 C49 P3 124.0(7) . . ?
C50 C49 C54 116.5(8) . . ?
C28 C29 C30 120.1(9) . . ?
C40 C39 C38 121.1(9) . . ?
C40 C41 C42 120.4(9) . . ?
C8 C9 C10 120.5(8) . . ?
C28 C27 C26 120.9(9) . . ?
C41 C40 C39 119.1(9) . . ?
C27 C28 C29 119.3(9) . . ?
C51 C52 C53 120.1(9) . . ?
C73 O1 Lu1 124.5(5) . . ?
C73 O1 C76 103.7(6) . . ?
C76 O1 Lu1 131.4(5) . . ?
O1 C73 C74A 106.1(19) . . ?
C74B C73 O1 105.3(8) . . ?
C73 C74B C75B 108.0(11) . . ?
C74B C75B C76 102.3(11) . . ?
O1 C76 C75B 102.4(8) . . ?
C75A C76 O1 115(2) . . ?
C43 C48 C47 120.0(9) . . ?
C46 C47 C48 119.8(9) . . ?
C60 C55 N4 125.0(7) . . ?
C60 C55 C56 116.9(8) . . ?
C56 C55 N4 118.1(8) . . ?
C15 C14 C13 122.4(8) . . ?
C32 C31 P2 117.7(6) . . ?
C32 C31 C36 115.5(8) . . ?
C36 C31 P2 126.8(6) . . ?
C6 C5 C4 120.1(9) . . ?
C88B O4 Li1 114.9(17) . . ?
C88B O4 C85B 106(2) . . ?
C85B O4 Li1 121.4(16) . . ?
C85A O4 Li1 113.5(16) . . ?
C85A O4 C88A 113(2) . . ?
C88A O4 Li1 121.5(18) . . ?
C2 C1 N1 120.1(8) . . ?
C2 C1 C6 116.3(8) . . ?
C6 C1 N1 123.7(8) . . ?
C45 C44 C43 122.3(8) . . ?
C33 C32 C31 123.4(8) . . ?
C1 C2 C3 122.6(9) . . ?
C20 C19 N2 118.8(8) . . ?
C20 C19 C24 117.8(8) . . ?
C24 C19 N2 123.2(7) . . ?
C5 C6 C1 121.7(8) . . ?
C59 C60 C55 120.4(9) . . ?
C52 C51 C50 119.7(9) . . ?
C35 C34 C33 119.9(9) . . ?
C31 C36 C35 122.5(8) . . ?
C14 C15 C16 120.3(10) . . ?
C45 C46 C47 120.2(8) . . ?
C55 C56 C57 121.4(9) . . ?
C13 C18 C17 124.3(9) . . ?
C46 C45 C44 120.0(9) . . ?
C19 C20 C21 122.1(8) . . ?
C21 C22 C23 118.9(9) . . ?
C67 C68 C69 121.0(11) . . ?
C19 C24 C23 120.2(9) . . ?
C80B O2 Li1 126.1(17) . . ?
C80B O2 C77B 106.4(18) . . ?
C77A O2 Li1 125.2(17) . . ?
C77A O2 C80A 106(2) . . ?
C77B O2 Li1 125.2(12) . . ?
C80A O2 Li1 126.2(17) . . ?
C79B C80B O2 109(3) . . ?
C79A C78A C77A 109(3) . . ?
C57 C58 C59 119.3(10) . . ?
C5 C4 C3 120.2(9) . . ?
C81B O3B Li1 130.3(18) . . ?
C81B O3B C84B 106(2) . . ?
C84B O3B Li1 123.7(16) . . ?
C68 C67 P4 126.0(8) . . ?
C68 C67 C72 118.3(9) . . ?
C72 C67 P4 115.7(6) . . ?
C49 C50 C51 122.2(9) . . ?
C11 C10 C9 119.8(8) . . ?
C62 C63 C64 118.0(10) . . ?
C22 C21 C20 120.8(9) . . ?
C10 C11 C12 120.4(9) . . ?
C58 C57 C56 119.8(9) . . ?
C64 C65 C66 120.6(10) . . ?
C70 C69 C68 119.4(10) . . ?
C34 C35 C36 119.0(8) . . ?
C58 C59 C60 122.1(9) . . ?
C65 C64 C63 121.3(10) . . ?
C32 C33 C34 119.7(8) . . ?
C4 C3 C2 119.1(9) . . ?
C17 C16 C15 119.1(9) . . ?
C71 C70 C69 120.1(11) . . ?
C71 C72 C67 119.3(10) . . ?
C16 C17 C18 118.7(9) . . ?
C22 C23 C24 120.2(10) . . ?
O3B C81B C82A 105(2) . . ?
O4 C88B C87B 108(3) . . ?
C84B C83B C82A 106(2) . . ?
O4 Li1 Cl1 107.8(9) . . ?
O4 Li1 O3A 99.2(11) . . ?
O2 Li1 Cl1 106.3(9) . . ?
O2 Li1 O4 113.4(9) . . ?
O2 Li1 O3A 117.6(11) . . ?
O3B Li1 Cl1 118.2(9) . . ?
O3B Li1 O4 112.3(11) . . ?
O3B Li1 O2 98.5(11) . . ?
O3A Li1 Cl1 112.3(9) . . ?
C86B C85B O4 98(2) . . ?
O3B C84B C83B 114(2) . . ?
C83A C82B C81A 97(3) . . ?
C70 C71 C72 121.8(12) . . ?
C88B C87B C86B 93(3) . . ?
C85B C86B C87B 116(3) . . ?
C92 O5 C89 110.2(15) . . ?
O5 C92 C91 102.5(15) . . ?
C91 C90 C89 104.1(13) . . ?
O5 C89 C90 106.0(14) . . ?
C94 C93 C98 120.0 . . ?
C94 C93 C99 117.3(14) . . ?
C98 C93 C99 122.3(14) . . ?
C93 C94 C95 120.0 . . ?
C94 C95 C96 120.0 . . ?
C97 C96 C95 120.0 . . ?
C98 C97 C96 120.0 . . ?
C97 C98 C93 120.0 . . ?
C90 C91 C92 98.1(14) . . ?
O3A C84A C83A 108(3) . . ?
C83B C82A C81B 88.7(19) . . ?
C82B C83A C84A 95(2) . . ?
C80B C79B C78B 104(3) . . ?
O2 C77A C78A 110(3) . . ?
O3A C81A C82B 99(2) . . ?
O4 C85A C86A 106(2) . . ?
C87A C86A C85A 103(2) . . ?
C88A C87A C86A 99(3) . . ?
O4 C88A C87A 114(3) . . ?
C77B C78B C79B 107(3) . . ?
C78B C77B O2 106(2) . . ?
C75A C74A C73 109(3) . . ?
C76 C75A C74A 104(4) . . ?
O2 C80A C79A 100(3) . . ?
C78A C79A C80A 100(4) . . ?
C84A O3A Li1 122.4(18) . . ?
C81A O3A Li1 134.5(17) . . ?
C81A O3A C84A 102(2) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_2a
_database_code_depnum_ccdc_archive 'CCDC 1450176'
_audit_update_record             
;
2016-01-27 deposited with the CCDC.
2016-03-09 downloaded from the CCDC.
;
_audit_creation_date             2015-04-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2013-2

#==============================================================================
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C90 H76 N5 P5 Pt Y, C16 H32 Li O4'
_chemical_formula_sum            'C106 H108 Li N5 O4 P5 Pt Y'
_chemical_formula_weight         1961.76
_chemical_absolute_configuration ad
_chemical_melting_point          ?
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'
Li Li -0.0003 0.0001 '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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_H-M_alt        'C 1 c 1'
_space_group_name_Hall           'C -2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'

_cell_length_a                   23.628(5)
_cell_length_b                   14.886(3)
_cell_length_c                   28.196(6)
_cell_angle_alpha                90
_cell_angle_beta                 107.47(3)
_cell_angle_gamma                90
_cell_volume                     9459(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    15779
_cell_measurement_temperature    209
_cell_measurement_theta_max      27.06
_cell_measurement_theta_min      1.51
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.22
_exptl_absorpt_correction_T_max  0.8987
_exptl_absorpt_correction_T_min  0.6400
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'STOE X-RED & X-SHAPE'
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.377
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             4024
_exptl_crystal_size_max          0.282
_exptl_crystal_size_mid          0.153
_exptl_crystal_size_min          0.055
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1126
_diffrn_reflns_av_unetI/netI     0.1871
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            36018
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.015
_diffrn_reflns_theta_min         1.514
_diffrn_ambient_temperature      209
_diffrn_detector                 'image plate (34cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            'STOE image plate'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'two-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_collimation    '0.5mm monocapillary'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube, 12x0.4mm long-fine focus'
_reflns_Friedel_coverage         0.972
_reflns_Friedel_fraction_full    0.975
_reflns_Friedel_fraction_max     0.970
_reflns_number_gt                11648
_reflns_number_total             18329
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       'STOE X-AREA, PLATON (A.L.Spek, 2005)'
_computing_data_reduction        'STOE X-RED, PLATON (A.L.Spek, 2005)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2008)'
_computing_molecular_graphics    'Diamond 2/3, Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'MS Word, Olex2 (Dolomanov et al., 2009)'
_refine_diff_density_max         1.745
_refine_diff_density_min         -0.752
_refine_diff_density_rms         0.099
_refine_ls_abs_structure_details 
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   -0.015(10)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.864
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1098
_refine_ls_number_reflns         18329
_refine_ls_number_restraints     50
_refine_ls_R_factor_all          0.1064
_refine_ls_R_factor_gt           0.0639
_refine_ls_restrained_S_all      0.863
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0227P)²]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1085
_refine_ls_wR_factor_ref         0.1212
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups, All N(H) groups
2. Rigid bond restraints
 C31, C36, C35, C34, C33, C32
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
C31 \\sim C36 \\sim C35 \\sim C34 \\sim C33 \\sim C32: within 1.7A with sigma
of 0.04 and sigma for terminal atoms of 0.08
4. Others
 Fixed Sof: C1A(0.5) H1AA(0.5) H1AB(0.5) C96B(0.5) H96A(0.5) H96B(0.5)
 C95B(0.5) H95A(0.5) H95B(0.5) H10I(0.5) H10J(0.5) H10G(0.5) H10H(0.5)
 H10M(0.5) H10N(0.5) H10K(0.5) H10L(0.5) C97A(0.5) H97A(0.5) H97B(0.5)
 C93B(0.5) H93A(0.5) H93B(0.5) C98B(0.5) H98A(0.5) H98B(0.5) O1A(0.5) C94A(0.5)
 H94A(0.5) H94B(0.5) C91A(0.5) H91A(0.5) H91B(0.5) C92A(0.5) H92A(0.5)
 H92B(0.5) O1B(0.5) C91B(0.5) H91C(0.5) H91D(0.5) C92B(0.5) H92C(0.5) H92D(0.5)
 C94B(0.5) H94C(0.5) H94D(0.5) C98A(0.5) H98C(0.5) H98D(0.5) C97B(0.5)
 H97C(0.5) H97D(0.5) C96A(0.5) H96C(0.5) H96D(0.5) C95A(0.5) H95C(0.5)
 H95D(0.5) C93A(0.5) H93C(0.5) H93D(0.5) C1B(0.5) H1BA(0.5) H1BB(0.5)
5.a Riding coordinates:
 N5(H5)
5.b Secondary CH2 refined with riding coordinates:
 C106(H10A,H10B), C1A(H1AA,H1AB), C96B(H96A,H96B), C99(H99A,H99B), C95B(H95A,
 H95B), C102(H10C,H10D), C100(H10E,H10F), C103(H10I,H10J), C103(H10G,H10H),
 C105(H10M,H10N), C105(H10K,H10L), C97A(H97A,H97B), C101(H10O,H10P), C93B(H93A,
 H93B), C98B(H98A,H98B), C94A(H94A,H94B), C91A(H91A,H91B), C92A(H92A,H92B),
 C91B(H91C,H91D), C92B(H92C,H92D), C94B(H94C,H94D), C98A(H98C,H98D), C97B(H97C,
 H97D), C96A(H96C,H96D), C95A(H95C,H95D), C93A(H93C,H93D), C1B(H1BA,H1BB)
5.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5A), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21),
  C22(H22), C23(H23), C24(H24), C26(H26), C27(H27), C28(H28), C29(H29),
 C30(H30), C32(H32), C33(H33), C34(H34), C35(H35), C36(H36), C38(H38), C39(H39),
  C40(H40), C41(H41), C42(H42), C44(H44), C45(H45), C46(H46), C47(H47),
 C48(H48), C50(H50), C51(H51), C52(H52), C53(H53), C54(H54), C56(H56), C57(H57),
  C58(H58), C59(H59), C60(H60), C62(H62), C63(H63), C64(H64), C65(H65),
 C66(H66), C68(H68), C69(H69), C70(H70), C71(H71), C72(H72), C74(H74), C75(H75),
  C76(H76), C77(H77), C78(H78), C80(H80), C81(H81), C82(H82), C83(H83),
 C84(H84), C86(H86), C87(H87), C88(H88), C89(H89), C90(H90)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.24557(2) 0.60910(4) 0.10736(2) 0.02954(13) Uani 1 1 d . . . . .
Y1 Y 0.30650(7) 0.75079(12) 0.18266(5) 0.0296(3) Uani 1 1 d . . . . .
P1 P 0.24305(19) 0.5687(3) 0.18787(15) 0.0318(9) Uani 1 1 d . . . . .
P2 P 0.19470(19) 0.7423(3) 0.08671(14) 0.0313(9) Uani 1 1 d . . . . .
P3 P 0.34366(18) 0.6241(3) 0.10716(14) 0.0340(10) Uani 1 1 d . . . . .
P4 P 0.3456(2) 0.8666(3) 0.27055(16) 0.0396(11) Uani 1 1 d . . . . .
P5 P 0.1975(2) 0.5065(3) 0.04369(16) 0.0361(10) Uani 1 1 d . . . . .
N1 N 0.2943(5) 0.6295(9) 0.2283(4) 0.035(3) Uani 1 1 d . . . . .
N2 N 0.2195(6) 0.8137(9) 0.1330(4) 0.034(3) Uani 1 1 d . . . . .
N3 N 0.3776(7) 0.7024(10) 0.1479(5) 0.038(4) Uani 1 1 d . . . . .
N4 N 0.3480(5) 0.8874(10) 0.2140(4) 0.036(3) Uani 1 1 d . . . . .
N5 N 0.2036(7) 0.5471(10) -0.0081(5) 0.047(4) Uani 1 1 d . . . . .
H5 H 0.1898 0.6009 -0.0103 0.056 Uiso 1 1 d R . . . .
C1 C 0.3178(7) 0.6109(13) 0.2789(5) 0.037(3) Uani 1 1 d . . . . .
C2 C 0.3753(8) 0.5820(14) 0.2972(6) 0.058(6) Uani 1 1 d . . . . .
H2 H 0.3982 0.5745 0.2753 0.070 Uiso 1 1 calc R . . . .
C3 C 0.3998(9) 0.5639(17) 0.3466(8) 0.072(7) Uani 1 1 d . . . . .
H3 H 0.4392 0.5431 0.3571 0.086 Uiso 1 1 calc R . . . .
C4 C 0.3719(11) 0.5736(14) 0.3808(7) 0.068(6) Uani 1 1 d . . . . .
H4 H 0.3903 0.5602 0.4145 0.082 Uiso 1 1 calc R . . . .
C5 C 0.3168(11) 0.603(2) 0.3643(7) 0.075(7) Uani 1 1 d . . . . .
H5A H 0.2953 0.6117 0.3871 0.090 Uiso 1 1 calc R . . . .
C6 C 0.2890(9) 0.6226(16) 0.3141(7) 0.054(6) Uani 1 1 d . . . . .
H6 H 0.2498 0.6441 0.3042 0.065 Uiso 1 1 calc R . . . .
C7 C 0.1721(8) 0.5872(12) 0.2021(6) 0.040(5) Uani 1 1 d . . . . .
C8 C 0.1600(8) 0.6744(12) 0.2157(6) 0.043(4) Uani 1 1 d . . . . .
H8 H 0.1892 0.7193 0.2213 0.051 Uiso 1 1 calc R . . . .
C9 C 0.1033(8) 0.6945(14) 0.2209(6) 0.051(5) Uani 1 1 d . . . . .
H9 H 0.0945 0.7529 0.2292 0.061 Uiso 1 1 calc R . . . .
C10 C 0.0605(8) 0.6259(17) 0.2134(6) 0.061(6) Uani 1 1 d . . . . .
H10 H 0.0228 0.6382 0.2166 0.073 Uiso 1 1 calc R . . . .
C11 C 0.0740(8) 0.5416(14) 0.2013(6) 0.048(5) Uani 1 1 d . . . . .
H11 H 0.0454 0.4959 0.1967 0.058 Uiso 1 1 calc R . . . .
C12 C 0.1286(8) 0.5219(13) 0.1958(6) 0.048(5) Uani 1 1 d . . . . .
H12 H 0.1365 0.4630 0.1875 0.058 Uiso 1 1 calc R . . . .
C13 C 0.2560(7) 0.4502(10) 0.2073(6) 0.037(4) Uani 1 1 d . . . . .
C14 C 0.2534(9) 0.4185(11) 0.2534(7) 0.052(5) Uani 1 1 d . . . . .
H14 H 0.2448 0.4585 0.2761 0.062 Uiso 1 1 calc R . . . .
C15 C 0.2632(10) 0.3299(14) 0.2656(8) 0.065(6) Uani 1 1 d . . . . .
H15 H 0.2640 0.3104 0.2975 0.078 Uiso 1 1 calc R . . . .
C16 C 0.2719(9) 0.2681(13) 0.2316(7) 0.055(5) Uani 1 1 d . . . . .
H16 H 0.2759 0.2067 0.2396 0.066 Uiso 1 1 calc R . . . .
C17 C 0.2746(9) 0.2970(13) 0.1868(7) 0.058(5) Uani 1 1 d . . . . .
H17 H 0.2820 0.2560 0.1640 0.070 Uiso 1 1 calc R . . . .
C18 C 0.2661(10) 0.3891(16) 0.1743(8) 0.045(6) Uani 1 1 d . . . . .
H18 H 0.2674 0.4087 0.1430 0.054 Uiso 1 1 calc R . . . .
C19 C 0.1920(7) 0.8970(14) 0.1386(5) 0.037(4) Uani 1 1 d . . . . .
C20 C 0.2201(10) 0.9797(13) 0.1382(7) 0.053(5) Uani 1 1 d . . . . .
H20 H 0.2569 0.9816 0.1317 0.064 Uiso 1 1 calc R . . . .
C21 C 0.1942(10) 1.0587(13) 0.1472(7) 0.067(6) Uani 1 1 d . . . . .
H21 H 0.2134 1.1133 0.1453 0.081 Uiso 1 1 calc R . . . .
C22 C 0.1427(10) 1.0608(16) 0.1586(7) 0.066(6) Uani 1 1 d . . . . .
H22 H 0.1272 1.1153 0.1661 0.079 Uiso 1 1 calc R . . . .
C23 C 0.1142(9) 0.9819(15) 0.1589(7) 0.061(6) Uani 1 1 d . . . . .
H23 H 0.0773 0.9822 0.1651 0.074 Uiso 1 1 calc R . . . .
C24 C 0.1381(8) 0.9009(14) 0.1502(6) 0.050(5) Uani 1 1 d . . . . .
H24 H 0.1179 0.8473 0.1520 0.060 Uiso 1 1 calc R . . . .
C25 C 0.2022(7) 0.8002(12) 0.0313(6) 0.036(4) Uani 1 1 d . . . . .
C26 C 0.2398(8) 0.8758(13) 0.0365(6) 0.049(5) Uani 1 1 d . . . . .
H26 H 0.2604 0.8959 0.0686 0.059 Uiso 1 1 calc R . . . .
C27 C 0.2473(9) 0.9215(14) -0.0041(7) 0.062(6) Uani 1 1 d . . . . .
H27 H 0.2724 0.9718 0.0004 0.075 Uiso 1 1 calc R . . . .
C28 C 0.2169(9) 0.8913(18) -0.0518(7) 0.064(5) Uani 1 1 d . . . . .
H28 H 0.2204 0.9222 -0.0799 0.077 Uiso 1 1 calc R . . . .
C29 C 0.1819(9) 0.8166(14) -0.0574(7) 0.053(5) Uani 1 1 d . . . . .
H29 H 0.1626 0.7945 -0.0894 0.063 Uiso 1 1 calc R . . . .
C30 C 0.1745(7) 0.7731(11) -0.0158(6) 0.034(4) Uani 1 1 d . . . . .
H30 H 0.1493 0.7229 -0.0207 0.040 Uiso 1 1 calc R . . . .
C31 C 0.1114(8) 0.7388(13) 0.0678(6) 0.035(4) Uani 1 1 d . U . . .
C32 C 0.0755(8) 0.8006(13) 0.0353(7) 0.050(4) Uani 1 1 d . U . . .
H32 H 0.0932 0.8466 0.0219 0.060 Uiso 1 1 calc R . . . .
C33 C 0.0139(10) 0.7960(16) 0.0223(8) 0.059(5) Uani 1 1 d . U . . .
H33 H -0.0096 0.8386 0.0005 0.071 Uiso 1 1 calc R . . . .
C34 C -0.0125(9) 0.7274(15) 0.0420(7) 0.060(5) Uani 1 1 d . U . . .
H34 H -0.0540 0.7221 0.0331 0.073 Uiso 1 1 calc R . . . .
C35 C 0.0223(9) 0.6698(16) 0.0736(8) 0.056(5) Uani 1 1 d . U . . .
H35 H 0.0044 0.6251 0.0878 0.068 Uiso 1 1 calc R . . . .
C36 C 0.0842(8) 0.6727(14) 0.0868(6) 0.047(4) Uani 1 1 d . U . . .
H36 H 0.1070 0.6295 0.1086 0.056 Uiso 1 1 calc R . . . .
C37 C 0.4390(7) 0.7233(11) 0.1595(6) 0.037(4) Uani 1 1 d . . . . .
C38 C 0.4652(9) 0.7676(14) 0.2036(7) 0.049(5) Uani 1 1 d . . . . .
H38 H 0.4426 0.7796 0.2252 0.059 Uiso 1 1 calc R . . . .
C39 C 0.5251(9) 0.7954(13) 0.2171(8) 0.060(6) Uani 1 1 d . . . . .
H39 H 0.5414 0.8269 0.2470 0.071 Uiso 1 1 calc R . . . .
C40 C 0.5597(8) 0.7773(12) 0.1871(7) 0.050(5) Uani 1 1 d . . . . .
H40 H 0.5999 0.7942 0.1964 0.060 Uiso 1 1 calc R . . . .
C41 C 0.5342(7) 0.7341(12) 0.1439(7) 0.050(5) Uani 1 1 d . . . . .
H41 H 0.5576 0.7229 0.1228 0.060 Uiso 1 1 calc R . . . .
C42 C 0.4754(9) 0.7054(12) 0.1285(6) 0.043(5) Uani 1 1 d . . . . .
H42 H 0.4600 0.6746 0.0983 0.051 Uiso 1 1 calc R . . . .
C43 C 0.3502(7) 0.6562(12) 0.0456(6) 0.041(4) Uani 1 1 d . . . . .
C44 C 0.3593(8) 0.7459(13) 0.0361(6) 0.045(4) Uani 1 1 d . . . . .
H44 H 0.3651 0.7882 0.0619 0.054 Uiso 1 1 calc R . . . .
C45 C 0.3599(9) 0.7738(14) -0.0096(7) 0.063(5) Uani 1 1 d . . . . .
H45 H 0.3662 0.8350 -0.0145 0.076 Uiso 1 1 calc R . . . .
C46 C 0.3517(9) 0.7168(17) -0.0483(8) 0.065(6) Uani 1 1 d . . . . .
H46 H 0.3517 0.7378 -0.0797 0.079 Uiso 1 1 calc R . . . .
C47 C 0.3433(9) 0.6259(15) -0.0405(7) 0.062(6) Uani 1 1 d . . . . .
H47 H 0.3383 0.5840 -0.0664 0.075 Uiso 1 1 calc R . . . .
C48 C 0.3425(8) 0.5992(17) 0.0054(6) 0.048(5) Uani 1 1 d . . . . .
H48 H 0.3363 0.5379 0.0101 0.058 Uiso 1 1 calc R . . . .
C49 C 0.3923(7) 0.5241(11) 0.1236(6) 0.036(4) Uani 1 1 d . . . . .
C50 C 0.3878(9) 0.4751(15) 0.1644(7) 0.043(5) Uani 1 1 d . . . . .
H50 H 0.3616 0.4942 0.1817 0.052 Uiso 1 1 calc R . . . .
C51 C 0.4216(8) 0.3986(14) 0.1799(7) 0.059(5) Uani 1 1 d . . . . .
H51 H 0.4186 0.3676 0.2080 0.070 Uiso 1 1 calc R . . . .
C52 C 0.4588(10) 0.3674(13) 0.1553(9) 0.066(7) Uani 1 1 d . . . . .
H52 H 0.4817 0.3155 0.1658 0.080 Uiso 1 1 calc R . . . .
C53 C 0.4614(9) 0.4146(13) 0.1148(8) 0.058(5) Uani 1 1 d . . . . .
H53 H 0.4860 0.3927 0.0966 0.070 Uiso 1 1 calc R . . . .
C54 C 0.4309(8) 0.4910(13) 0.0991(7) 0.054(5) Uani 1 1 d . . . . .
H54 H 0.4358 0.5219 0.0714 0.064 Uiso 1 1 calc R . . . .
C55 C 0.3677(7) 0.9626(11) 0.1932(6) 0.040(4) Uani 1 1 d . . . . .
C56 C 0.3735(9) 1.0506(12) 0.2130(6) 0.050(5) Uani 1 1 d . . . . .
H56 H 0.3664 1.0607 0.2436 0.060 Uiso 1 1 calc R . . . .
C57 C 0.3895(8) 1.1228(12) 0.1882(7) 0.053(5) Uani 1 1 d . . . . .
H57 H 0.3905 1.1811 0.2012 0.064 Uiso 1 1 calc R . . . .
C58 C 0.4037(7) 1.1093(15) 0.1449(6) 0.052(4) Uani 1 1 d . . . . .
H58 H 0.4148 1.1578 0.1283 0.062 Uiso 1 1 calc R . . . .
C59 C 0.4015(9) 1.0236(13) 0.1263(7) 0.054(5) Uani 1 1 d . . . . .
H59 H 0.4125 1.0131 0.0974 0.064 Uiso 1 1 calc R . . . .
C60 C 0.3831(8) 0.9531(13) 0.1498(6) 0.051(5) Uani 1 1 d . . . . .
H60 H 0.3810 0.8955 0.1357 0.061 Uiso 1 1 calc R . . . .
C61 C 0.3134(8) 0.9608(12) 0.2965(6) 0.042(4) Uani 1 1 d . . . . .
C62 C 0.3415(8) 0.9961(14) 0.3433(6) 0.053(5) Uani 1 1 d . . . . .
H62 H 0.3786 0.9742 0.3624 0.063 Uiso 1 1 calc R . . . .
C63 C 0.3129(12) 1.0661(17) 0.3615(9) 0.070(7) Uani 1 1 d . . . . .
H63 H 0.3307 1.0894 0.3935 0.084 Uiso 1 1 calc R . . . .
C64 C 0.2597(11) 1.0999(15) 0.3331(9) 0.067(6) Uani 1 1 d . . . . .
H64 H 0.2416 1.1475 0.3450 0.080 Uiso 1 1 calc R . . . .
C65 C 0.2339(11) 1.0648(15) 0.2886(9) 0.070(7) Uani 1 1 d . . . . .
H65 H 0.1978 1.0888 0.2686 0.084 Uiso 1 1 calc R . . . .
C66 C 0.2598(10) 0.9923(14) 0.2710(6) 0.057(5) Uani 1 1 d . . . . .
H66 H 0.2390 0.9652 0.2406 0.069 Uiso 1 1 calc R . . . .
C67 C 0.4198(9) 0.8608(12) 0.3145(6) 0.049(5) Uani 1 1 d . . . . .
C68 C 0.4307(11) 0.8022(17) 0.3534(7) 0.075(7) Uani 1 1 d . . . . .
H68 H 0.3994 0.7662 0.3565 0.090 Uiso 1 1 calc R . . . .
C69 C 0.4846(14) 0.7935(19) 0.3876(8) 0.095(9) Uani 1 1 d . . . . .
H69 H 0.4901 0.7551 0.4151 0.114 Uiso 1 1 calc R . . . .
C70 C 0.5335(12) 0.8449(18) 0.3806(8) 0.087(9) Uani 1 1 d . . . . .
H70 H 0.5718 0.8390 0.4032 0.104 Uiso 1 1 calc R . . . .
C71 C 0.5240(9) 0.9013(19) 0.3417(8) 0.076(6) Uani 1 1 d . . . . .
H71 H 0.5557 0.9348 0.3372 0.091 Uiso 1 1 calc R . . . .
C72 C 0.4690(9) 0.9100(14) 0.3089(6) 0.060(6) Uani 1 1 d . . . . .
H72 H 0.4632 0.9495 0.2818 0.072 Uiso 1 1 calc R . . . .
C73 C 0.1875(7) 0.5152(12) -0.0577(6) 0.039(4) Uani 1 1 d . . . . .
C74 C 0.1964(10) 0.5710(16) -0.0954(8) 0.059(6) Uani 1 1 d . . . . .
H74 H 0.2139 0.6278 -0.0868 0.070 Uiso 1 1 calc R . . . .
C75 C 0.1803(10) 0.5448(18) -0.1443(8) 0.066(6) Uani 1 1 d . . . . .
H75 H 0.1846 0.5848 -0.1689 0.079 Uiso 1 1 calc R . . . .
C76 C 0.1579(9) 0.460(2) -0.1574(7) 0.076(8) Uani 1 1 d . . . . .
H76 H 0.1482 0.4409 -0.1906 0.091 Uiso 1 1 calc R . . . .
C77 C 0.1501(8) 0.4040(17) -0.1214(7) 0.067(6) Uani 1 1 d . . . . .
H77 H 0.1345 0.3462 -0.1304 0.080 Uiso 1 1 calc R . . . .
C78 C 0.1643(9) 0.4299(14) -0.0728(7) 0.060(6) Uani 1 1 d . . . . .
H78 H 0.1583 0.3897 -0.0490 0.073 Uiso 1 1 calc R . . . .
C79 C 0.2243(10) 0.3893(15) 0.0466(7) 0.044(6) Uani 1 1 d . . . . .
C80 C 0.2839(9) 0.3768(12) 0.0506(7) 0.058(5) Uani 1 1 d . . . . .
H80 H 0.3075 0.4275 0.0500 0.070 Uiso 1 1 calc R . . . .
C81 C 0.3101(10) 0.2923(15) 0.0553(8) 0.066(6) Uani 1 1 d . . . . .
H81 H 0.3507 0.2871 0.0586 0.079 Uiso 1 1 calc R . . . .
C82 C 0.2772(10) 0.2170(15) 0.0552(8) 0.070(6) Uani 1 1 d . . . . .
H82 H 0.2950 0.1600 0.0577 0.083 Uiso 1 1 calc R . . . .
C83 C 0.2195(11) 0.2246(14) 0.0515(7) 0.066(6) Uani 1 1 d . . . . .
H83 H 0.1975 0.1725 0.0526 0.079 Uiso 1 1 calc R . . . .
C84 C 0.1904(10) 0.3105(12) 0.0459(7) 0.054(5) Uani 1 1 d . . . . .
H84 H 0.1495 0.3143 0.0419 0.065 Uiso 1 1 calc R . . . .
C85 C 0.1157(8) 0.4868(12) 0.0331(6) 0.037(4) Uani 1 1 d . . . . .
C86 C 0.0986(9) 0.4454(13) 0.0712(7) 0.047(5) Uani 1 1 d . . . . .
H86 H 0.1271 0.4276 0.1008 0.057 Uiso 1 1 calc R . . . .
C87 C 0.0378(11) 0.4311(16) 0.0643(9) 0.067(6) Uani 1 1 d . . . . .
H87 H 0.0250 0.4059 0.0900 0.080 Uiso 1 1 calc R . . . .
C88 C -0.0020(10) 0.4537(17) 0.0208(10) 0.075(7) Uani 1 1 d . . . . .
H88 H -0.0423 0.4413 0.0159 0.090 Uiso 1 1 calc R . . . .
C89 C 0.0152(10) 0.495(2) -0.0178(8) 0.083(8) Uani 1 1 d . . . . .
H89 H -0.0132 0.5133 -0.0475 0.100 Uiso 1 1 calc R . . . .
C90 C 0.0752(8) 0.5092(13) -0.0103(6) 0.052(5) Uani 1 1 d . . . . .
H90 H 0.0880 0.5345 -0.0359 0.063 Uiso 1 1 calc R . . . .
O2 O 0.5521(8) 0.3986(13) 0.4410(5) 0.090(5) Uani 1 1 d . . . . .
O3 O 0.6411(7) 0.3543(10) 0.3802(5) 0.076(5) Uani 1 1 d . . . . .
O4 O 0.5449(8) 0.4930(12) 0.3331(6) 0.086(5) Uani 1 1 d . . . . .
C106 C 0.5252(12) 0.490(2) 0.2805(9) 0.091(8) Uani 1 1 d . . . . .
H10A H 0.4818 0.4900 0.2682 0.110 Uiso 1 1 calc R . . . .
H10B H 0.5398 0.4353 0.2685 0.110 Uiso 1 1 calc R . . . .
C1A C 0.551(2) 0.636(3) 0.3039(16) 0.068(13) Uiso 0.5 1 d . . P A 2
H1AA H 0.5789 0.6850 0.3045 0.081 Uiso 0.5 1 calc R . P A 2
H1AB H 0.5118 0.6606 0.3010 0.081 Uiso 0.5 1 calc R . P A 2
C96B C 0.544(3) 0.337(4) 0.5176(19) 0.082(17) Uiso 0.5 1 d . . P B 2
H96A H 0.5149 0.3186 0.5338 0.098 Uiso 0.5 1 calc R . P B 2
H96B H 0.5800 0.2997 0.5294 0.098 Uiso 0.5 1 calc R . P B 2
C99 C 0.6859(12) 0.3402(19) 0.4270(10) 0.092(8) Uani 1 1 d . . . . .
H99A H 0.6769 0.2868 0.4437 0.111 Uiso 1 1 calc R . . . .
H99B H 0.6886 0.3922 0.4489 0.111 Uiso 1 1 calc R . . . .
C95B C 0.518(3) 0.338(6) 0.457(3) 0.13(3) Uiso 0.5 1 d . . P B 2
H95A H 0.5202 0.2780 0.4438 0.158 Uiso 0.5 1 calc R . P B 2
H95B H 0.4760 0.3569 0.4471 0.158 Uiso 0.5 1 calc R . P B 2
C102 C 0.6677(15) 0.354(3) 0.3420(11) 0.114(12) Uani 1 1 d . . . . .
H10C H 0.6666 0.4151 0.3283 0.136 Uiso 1 1 calc R . . . .
H10D H 0.6458 0.3142 0.3152 0.136 Uiso 1 1 calc R . . . .
C100 C 0.7435(15) 0.328(3) 0.4142(14) 0.140(14) Uani 1 1 d . . . . .
H10E H 0.7707 0.3776 0.4271 0.168 Uiso 1 1 calc R . . . .
H10F H 0.7629 0.2714 0.4283 0.168 Uiso 1 1 calc R . . . .
C103 C 0.5726(16) 0.577(2) 0.3479(11) 0.131(13) Uani 1 1 d . . . . .
H10I H 0.6159 0.5706 0.3576 0.157 Uiso 0.5 1 calc R . P A 2
H10J H 0.5615 0.6010 0.3762 0.157 Uiso 0.5 1 calc R . P A 2
H10G H 0.5473 0.6135 0.3621 0.157 Uiso 0.5 1 calc R . P A 1
H10H H 0.6104 0.5670 0.3739 0.157 Uiso 0.5 1 calc R . P A 1
C105 C 0.5490(16) 0.570(2) 0.2631(9) 0.116(11) Uani 1 1 d . . . . .
H10M H 0.5228 0.5905 0.2311 0.139 Uiso 0.5 1 calc R . P A 2
H10N H 0.5887 0.5585 0.2601 0.139 Uiso 0.5 1 calc R . P A 2
H10K H 0.5167 0.6064 0.2420 0.139 Uiso 0.5 1 calc R . P A 1
H10L H 0.5755 0.5525 0.2438 0.139 Uiso 0.5 1 calc R . P A 1
C97A C 0.524(3) 0.447(4) 0.506(2) 0.084(16) Uiso 0.5 1 d . . P B 1
H97A H 0.5363 0.4757 0.5393 0.100 Uiso 0.5 1 calc R . P B 1
H97B H 0.4854 0.4715 0.4876 0.100 Uiso 0.5 1 calc R . P B 1
C101 C 0.7272(16) 0.325(3) 0.3612(12) 0.136(14) Uani 1 1 d . . . . .
H10O H 0.7533 0.3645 0.3493 0.164 Uiso 1 1 calc R . . . .
H10P H 0.7311 0.2638 0.3499 0.164 Uiso 1 1 calc R . . . .
C93B C 0.411(2) 0.226(4) 0.320(2) 0.084(17) Uiso 0.5 1 d . . P C 2
H93A H 0.3990 0.2028 0.2854 0.100 Uiso 0.5 1 calc R . P C 2
H93B H 0.3752 0.2354 0.3302 0.100 Uiso 0.5 1 calc R . P C 2
C98B C 0.545(3) 0.479(5) 0.464(2) 0.11(3) Uiso 0.5 1 d . . P B 2
H98A H 0.5054 0.5038 0.4509 0.135 Uiso 0.5 1 calc R . P B 2
H98B H 0.5748 0.5240 0.4620 0.135 Uiso 0.5 1 calc R . P B 2
Li1 Li 0.564(2) 0.385(4) 0.3761(15) 0.099(15) Uani 1 1 d . . . . .
O1A O 0.4967(12) 0.3115(17) 0.3322(10) 0.037(6) Uiso 0.5 1 d . . P D 1
C94A C 0.435(2) 0.313(3) 0.336(2) 0.057(13) Uiso 0.5 1 d . . P D 1
H94A H 0.4321 0.3493 0.3640 0.068 Uiso 0.5 1 calc R . P D 1
H94B H 0.4064 0.3346 0.3053 0.068 Uiso 0.5 1 calc R . P D 1
C91A C 0.502(2) 0.236(3) 0.3066(17) 0.072(12) Uiso 0.5 1 d . . P D 1
H91A H 0.5445 0.2213 0.3129 0.087 Uiso 0.5 1 calc R . P D 1
H91B H 0.4847 0.2458 0.2708 0.087 Uiso 0.5 1 calc R . P D 1
C92A C 0.471(3) 0.161(4) 0.324(2) 0.083(15) Uiso 0.5 1 d . . P D 1
H92A H 0.4980 0.1261 0.3511 0.100 Uiso 0.5 1 calc R . P D 1
H92B H 0.4501 0.1209 0.2972 0.100 Uiso 0.5 1 calc R . P D 1
O1B O 0.508(2) 0.293(4) 0.3555(18) 0.113(16) Uiso 0.5 1 d . . P C 2
C91B C 0.511(4) 0.197(6) 0.343(3) 0.14(3) Uiso 0.5 1 d . . P C 2
H91C H 0.5482 0.1693 0.3633 0.174 Uiso 0.5 1 calc R . P C 2
H91D H 0.5073 0.1886 0.3076 0.174 Uiso 0.5 1 calc R . P C 2
C92B C 0.457(3) 0.164(6) 0.356(3) 0.12(2) Uiso 0.5 1 d . . P C 2
H92C H 0.4603 0.1756 0.3913 0.144 Uiso 0.5 1 calc R . P C 2
H92D H 0.4498 0.0997 0.3491 0.144 Uiso 0.5 1 calc R . P C 2
C94B C 0.449(4) 0.308(7) 0.326(3) 0.14(4) Uiso 0.5 1 d . . P C 2
H94C H 0.4490 0.3291 0.2930 0.165 Uiso 0.5 1 calc R . P C 2
H94D H 0.4314 0.3555 0.3411 0.165 Uiso 0.5 1 calc R . P C 2
C98A C 0.572(2) 0.469(3) 0.4775(17) 0.056(12) Uiso 0.5 1 d . . P B 1
H98C H 0.5675 0.5295 0.4626 0.067 Uiso 0.5 1 calc R . P B 1
H98D H 0.6134 0.4607 0.4984 0.067 Uiso 0.5 1 calc R . P B 1
C97B C 0.558(3) 0.440(4) 0.5235(18) 0.077(15) Uiso 0.5 1 d . . P B 2
H97C H 0.5999 0.4498 0.5430 0.092 Uiso 0.5 1 calc R . P B 2
H97D H 0.5326 0.4699 0.5400 0.092 Uiso 0.5 1 calc R . P B 2
C96A C 0.521(3) 0.374(5) 0.510(2) 0.095(19) Uiso 0.5 1 d . . P B 1
H96C H 0.4793 0.3578 0.5045 0.114 Uiso 0.5 1 calc R . P B 1
H96D H 0.5427 0.3572 0.5446 0.114 Uiso 0.5 1 calc R . P B 1
C95A C 0.549(2) 0.316(3) 0.4704(17) 0.065(13) Uiso 0.5 1 d . . P B 1
H95C H 0.5877 0.2895 0.4866 0.078 Uiso 0.5 1 calc R . P B 1
H95D H 0.5213 0.2710 0.4511 0.078 Uiso 0.5 1 calc R . P B 1
C93A C 0.426(3) 0.216(4) 0.344(2) 0.083(17) Uiso 0.5 1 d . . P D 1
H93C H 0.3849 0.1981 0.3261 0.100 Uiso 0.5 1 calc R . P D 1
H93D H 0.4327 0.2038 0.3796 0.100 Uiso 0.5 1 calc R . P D 1
C1B C 0.583(3) 0.622(4) 0.309(2) 0.094(17) Uiso 0.5 1 d . . P A 1
H1BA H 0.6253 0.6229 0.3124 0.113 Uiso 0.5 1 calc R . P A 1
H1BB H 0.5683 0.6837 0.3075 0.113 Uiso 0.5 1 calc R . P A 1


_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
Pt1 Y1 3.0321(18) . ?
Pt1 P1 2.367(4) . ?
Pt1 P2 2.301(4) . ?
Pt1 P3 2.330(4) . ?
Pt1 P5 2.371(4) . ?
Y1 P1 3.123(4) . ?
Y1 P2 3.166(5) . ?
Y1 P3 3.159(4) . ?
Y1 P4 2.931(4) . ?
Y1 N1 2.285(12) . ?
Y1 N2 2.309(13) . ?
Y1 N3 2.300(15) . ?
Y1 N4 2.315(15) . ?
P1 N1 1.659(13) . ?
P1 C7 1.858(18) . ?
P1 C13 1.845(16) . ?
P2 N2 1.649(13) . ?
P2 C25 1.840(17) . ?
P2 C31 1.878(18) . ?
P3 N3 1.663(14) . ?
P3 C43 1.852(17) . ?
P3 C49 1.853(18) . ?
P4 N4 1.643(12) . ?
P4 C61 1.847(18) . ?
P4 C67 1.820(18) . ?
P5 N5 1.626(15) . ?
P5 C79 1.85(2) . ?
P5 C85 1.887(19) . ?
N1 C1 1.396(17) . ?
N2 C19 1.43(2) . ?
N3 C37 1.42(2) . ?
N4 C55 1.40(2) . ?
N5 C73 1.418(19) . ?
C1 C2 1.37(2) . ?
C1 C6 1.37(2) . ?
C2 C3 1.37(2) . ?
C3 C4 1.33(3) . ?
C4 C5 1.32(3) . ?
C5 C6 1.40(3) . ?
C7 C8 1.41(2) . ?
C7 C12 1.39(2) . ?
C8 C9 1.42(2) . ?
C9 C10 1.41(3) . ?
C10 C11 1.36(3) . ?
C11 C12 1.38(2) . ?
C13 C14 1.40(2) . ?
C13 C18 1.37(3) . ?
C14 C15 1.36(3) . ?
C15 C16 1.39(3) . ?
C16 C17 1.35(3) . ?
C17 C18 1.41(3) . ?
C19 C20 1.40(3) . ?
C19 C24 1.41(2) . ?
C20 C21 1.38(3) . ?
C21 C22 1.35(3) . ?
C22 C23 1.36(3) . ?
C23 C24 1.38(3) . ?
C25 C26 1.41(2) . ?
C25 C30 1.35(2) . ?
C26 C27 1.39(2) . ?
C27 C28 1.40(3) . ?
C28 C29 1.37(3) . ?
C29 C30 1.40(2) . ?
C31 C32 1.39(2) . ?
C31 C36 1.37(3) . ?
C32 C33 1.39(3) . ?
C33 C34 1.40(3) . ?
C34 C35 1.33(3) . ?
C35 C36 1.40(3) . ?
C37 C38 1.38(2) . ?
C37 C42 1.42(2) . ?
C38 C39 1.41(3) . ?
C39 C40 1.37(3) . ?
C40 C41 1.35(2) . ?
C41 C42 1.39(2) . ?
C43 C44 1.39(2) . ?
C43 C48 1.38(2) . ?
C44 C45 1.36(2) . ?
C45 C46 1.35(3) . ?
C46 C47 1.39(3) . ?
C47 C48 1.36(2) . ?
C49 C50 1.39(2) . ?
C49 C54 1.39(2) . ?
C50 C51 1.38(3) . ?
C51 C52 1.35(3) . ?
C52 C53 1.36(3) . ?
C53 C54 1.35(2) . ?
C55 C56 1.41(2) . ?
C55 C60 1.39(2) . ?
C56 C57 1.39(2) . ?
C57 C58 1.38(2) . ?
C58 C59 1.37(3) . ?
C59 C60 1.38(2) . ?
C61 C62 1.39(2) . ?
C61 C66 1.34(3) . ?
C62 C63 1.42(3) . ?
C63 C64 1.37(3) . ?
C64 C65 1.33(3) . ?
C65 C66 1.40(3) . ?
C67 C68 1.36(3) . ?
C67 C72 1.42(3) . ?
C68 C69 1.35(3) . ?
C69 C70 1.45(4) . ?
C70 C71 1.34(3) . ?
C71 C72 1.36(2) . ?
C73 C74 1.41(3) . ?
C73 C78 1.40(2) . ?
C74 C75 1.37(3) . ?
C75 C76 1.37(3) . ?
C76 C77 1.37(3) . ?
C77 C78 1.37(2) . ?
C79 C80 1.39(3) . ?
C79 C84 1.42(3) . ?
C80 C81 1.39(3) . ?
C81 C82 1.36(3) . ?
C82 C83 1.34(3) . ?
C83 C84 1.44(3) . ?
C85 C86 1.40(2) . ?
C85 C90 1.35(2) . ?
C86 C87 1.41(3) . ?
C87 C88 1.35(3) . ?
C88 C89 1.41(3) . ?
C89 C90 1.38(3) . ?
O2 C95B 1.39(7) . ?
O2 C98B 1.40(7) . ?
O2 Li1 1.95(4) . ?
O2 C98A 1.45(5) . ?
O2 C95A 1.49(5) . ?
O3 C99 1.44(3) . ?
O3 C102 1.40(3) . ?
O3 Li1 1.84(5) . ?
O4 C106 1.42(3) . ?
O4 C103 1.41(3) . ?
O4 Li1 1.98(6) . ?
C106 C105 1.46(4) . ?
C1A C103 1.48(5) . ?
C1A C105 1.50(5) . ?
C96B C95B 1.62(8) . ?
C96B C97B 1.56(7) . ?
C99 C100 1.52(4) . ?
C102 C101 1.42(4) . ?
C100 C101 1.43(4) . ?
C103 C1B 1.37(6) . ?
C105 C1B 1.52(6) . ?
C97A C98A 1.62(7) . ?
C97A C96A 1.10(8) . ?
C93B C92B 1.57(9) . ?
C93B C94B 1.50(10) . ?
C98B C97B 1.71(8) . ?
Li1 O1A 2.03(5) . ?
Li1 O1B 1.88(7) . ?
O1A C94A 1.50(6) . ?
O1A C91A 1.36(5) . ?
C94A C93A 1.49(8) . ?
C91A C92A 1.52(7) . ?
C92A C93A 1.56(8) . ?
O1B C91B 1.47(8) . ?
O1B C94B 1.41(10) . ?
C91B C92B 1.52(11) . ?
C96A C95A 1.70(7) . ?

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
P1 Pt1 Y1 69.43(11) . . ?
P1 Pt1 P5 114.72(15) . . ?
P2 Pt1 Y1 71.34(11) . . ?
P2 Pt1 P1 107.47(14) . . ?
P2 Pt1 P3 111.18(15) . . ?
P2 Pt1 P5 105.54(15) . . ?
P3 Pt1 Y1 70.82(10) . . ?
P3 Pt1 P1 109.77(14) . . ?
P3 Pt1 P5 108.12(15) . . ?
P5 Pt1 Y1 175.64(12) . . ?
Pt1 Y1 P1 45.20(8) . . ?
Pt1 Y1 P2 43.51(8) . . ?
Pt1 Y1 P3 44.16(8) . . ?
P1 Y1 P2 73.52(11) . . ?
P1 Y1 P3 75.40(11) . . ?
P3 Y1 P2 74.32(11) . . ?
P4 Y1 Pt1 164.56(10) . . ?
P4 Y1 P1 120.30(12) . . ?
P4 Y1 P2 135.74(13) . . ?
P4 Y1 P3 147.15(13) . . ?
N1 Y1 Pt1 74.4(3) . . ?
N1 Y1 P1 31.1(3) . . ?
N1 Y1 P2 103.6(3) . . ?
N1 Y1 P3 90.9(3) . . ?
N1 Y1 P4 92.9(3) . . ?
N1 Y1 N2 114.9(5) . . ?
N1 Y1 N3 103.0(5) . . ?
N1 Y1 N4 126.2(4) . . ?
N2 Y1 Pt1 73.1(3) . . ?
N2 Y1 P1 91.6(4) . . ?
N2 Y1 P2 30.2(3) . . ?
N2 Y1 P3 102.2(3) . . ?
N2 Y1 P4 105.7(3) . . ?
N2 Y1 N4 94.2(5) . . ?
N3 Y1 Pt1 74.8(4) . . ?
N3 Y1 P1 99.8(4) . . ?
N3 Y1 P2 98.7(4) . . ?
N3 Y1 P3 30.6(4) . . ?
N3 Y1 P4 117.4(4) . . ?
N3 Y1 N2 120.0(5) . . ?
N3 Y1 N4 99.1(5) . . ?
N4 Y1 Pt1 159.4(3) . . ?
N4 Y1 P1 154.1(3) . . ?
N4 Y1 P2 120.7(3) . . ?
N4 Y1 P3 127.6(3) . . ?
N4 Y1 P4 34.0(3) . . ?
Pt1 P1 Y1 65.37(10) . . ?
N1 P1 Pt1 107.2(4) . . ?
N1 P1 Y1 45.4(4) . . ?
N1 P1 C7 106.8(7) . . ?
N1 P1 C13 107.2(7) . . ?
C7 P1 Pt1 117.0(6) . . ?
C7 P1 Y1 111.0(6) . . ?
C13 P1 Pt1 118.6(6) . . ?
C13 P1 Y1 143.6(5) . . ?
C13 P1 C7 99.1(8) . . ?
Pt1 P2 Y1 65.15(11) . . ?
N2 P2 Pt1 108.7(5) . . ?
N2 P2 Y1 44.8(5) . . ?
N2 P2 C25 105.6(8) . . ?
N2 P2 C31 109.6(7) . . ?
C25 P2 Pt1 116.3(5) . . ?
C25 P2 Y1 116.0(6) . . ?
C25 P2 C31 97.6(8) . . ?
C31 P2 Pt1 118.1(6) . . ?
C31 P2 Y1 141.1(5) . . ?
Pt1 P3 Y1 65.02(10) . . ?
N3 P3 Pt1 109.8(6) . . ?
N3 P3 Y1 44.8(5) . . ?
N3 P3 C43 107.9(8) . . ?
N3 P3 C49 104.9(7) . . ?
C43 P3 Pt1 113.0(5) . . ?
C43 P3 Y1 126.6(6) . . ?
C43 P3 C49 102.8(8) . . ?
C49 P3 Pt1 117.7(5) . . ?
C49 P3 Y1 126.0(5) . . ?
N4 P4 Y1 52.0(5) . . ?
N4 P4 C61 112.4(8) . . ?
N4 P4 C67 111.2(8) . . ?
C61 P4 Y1 136.0(6) . . ?
C67 P4 Y1 122.8(6) . . ?
C67 P4 C61 101.1(8) . . ?
N5 P5 Pt1 106.8(6) . . ?
N5 P5 C79 105.6(8) . . ?
N5 P5 C85 106.2(8) . . ?
C79 P5 Pt1 119.6(7) . . ?
C79 P5 C85 100.4(9) . . ?
C85 P5 Pt1 117.1(5) . . ?
P1 N1 Y1 103.5(5) . . ?
C1 N1 Y1 130.8(11) . . ?
C1 N1 P1 125.4(11) . . ?
P2 N2 Y1 105.0(7) . . ?
C19 N2 Y1 129.5(9) . . ?
C19 N2 P2 125.5(10) . . ?
P3 N3 Y1 104.6(7) . . ?
C37 N3 Y1 131.1(11) . . ?
C37 N3 P3 124.0(12) . . ?
P4 N4 Y1 94.0(7) . . ?
C55 N4 Y1 134.1(10) . . ?
C55 N4 P4 131.8(12) . . ?
C73 N5 P5 133.7(13) . . ?
C2 C1 N1 119.5(14) . . ?
C2 C1 C6 114.8(15) . . ?
C6 C1 N1 125.6(15) . . ?
C3 C2 C1 120.9(19) . . ?
C4 C3 C2 125(2) . . ?
C5 C4 C3 115.5(19) . . ?
C4 C5 C6 123(2) . . ?
C1 C6 C5 121(2) . . ?
C8 C7 P1 117.9(13) . . ?
C12 C7 P1 123.3(14) . . ?
C12 C7 C8 118.5(17) . . ?
C7 C8 C9 119.8(18) . . ?
C10 C9 C8 119.2(18) . . ?
C11 C10 C9 119.7(17) . . ?
C10 C11 C12 121.4(18) . . ?
C11 C12 C7 121.3(19) . . ?
C14 C13 P1 123.2(13) . . ?
C18 C13 P1 118.6(14) . . ?
C18 C13 C14 118.1(16) . . ?
C15 C14 C13 120.5(17) . . ?
C14 C15 C16 121.1(18) . . ?
C17 C16 C15 119.5(18) . . ?
C16 C17 C18 119.8(19) . . ?
C13 C18 C17 120.9(18) . . ?
C20 C19 N2 122.0(14) . . ?
C20 C19 C24 115.4(19) . . ?
C24 C19 N2 122.2(17) . . ?
C21 C20 C19 121(2) . . ?
C22 C21 C20 123(2) . . ?
C21 C22 C23 117.8(18) . . ?
C22 C23 C24 121.6(19) . . ?
C23 C24 C19 122(2) . . ?
C26 C25 P2 120.2(13) . . ?
C30 C25 P2 123.5(14) . . ?
C30 C25 C26 116.3(16) . . ?
C27 C26 C25 122.5(18) . . ?
C26 C27 C28 119(2) . . ?
C29 C28 C27 119.4(17) . . ?
C28 C29 C30 120.4(17) . . ?
C25 C30 C29 122.7(17) . . ?
C32 C31 P2 123.3(15) . . ?
C36 C31 P2 118.9(15) . . ?
C36 C31 C32 117.7(18) . . ?
C33 C32 C31 122(2) . . ?
C32 C33 C34 119(2) . . ?
C35 C34 C33 119(2) . . ?
C34 C35 C36 123(2) . . ?
C31 C36 C35 120(2) . . ?
N3 C37 C42 125.5(15) . . ?
C38 C37 N3 117.7(15) . . ?
C38 C37 C42 116.8(17) . . ?
C37 C38 C39 121.8(18) . . ?
C40 C39 C38 120.8(17) . . ?
C41 C40 C39 117.8(16) . . ?
C40 C41 C42 124.0(17) . . ?
C41 C42 C37 118.9(17) . . ?
C44 C43 P3 119.3(13) . . ?
C48 C43 P3 125.6(15) . . ?
C48 C43 C44 114.9(17) . . ?
C45 C44 C43 121.5(17) . . ?
C46 C45 C44 122(2) . . ?
C45 C46 C47 118.5(18) . . ?
C48 C47 C46 118(2) . . ?
C47 C48 C43 124(2) . . ?
C50 C49 P3 115.6(13) . . ?
C54 C49 P3 127.6(13) . . ?
C54 C49 C50 116.7(17) . . ?
C51 C50 C49 120.7(19) . . ?
C52 C51 C50 122(2) . . ?
C51 C52 C53 117.0(19) . . ?
C54 C53 C52 124(2) . . ?
C53 C54 C49 120.0(19) . . ?
N4 C55 C56 125.4(15) . . ?
C60 C55 N4 119.6(15) . . ?
C60 C55 C56 115.0(16) . . ?
C57 C56 C55 121.7(16) . . ?
C58 C57 C56 120.5(18) . . ?
C59 C58 C57 118.9(17) . . ?
C58 C59 C60 120.3(17) . . ?
C59 C60 C55 123.4(18) . . ?
C62 C61 P4 121.9(15) . . ?
C66 C61 P4 119.2(14) . . ?
C66 C61 C62 118.8(17) . . ?
C61 C62 C63 119(2) . . ?
C64 C63 C62 121(2) . . ?
C65 C64 C63 119(2) . . ?
C64 C65 C66 121(2) . . ?
C61 C66 C65 121(2) . . ?
C68 C67 P4 119.3(16) . . ?
C68 C67 C72 117.0(18) . . ?
C72 C67 P4 123.5(13) . . ?
C69 C68 C67 123(2) . . ?
C68 C69 C70 118(2) . . ?
C71 C70 C69 120(2) . . ?
C70 C71 C72 121(2) . . ?
C71 C72 C67 121(2) . . ?
C74 C73 N5 119.3(16) . . ?
C78 C73 N5 124.7(16) . . ?
C78 C73 C74 116.0(16) . . ?
C75 C74 C73 122(2) . . ?
C74 C75 C76 120(2) . . ?
C77 C76 C75 119.3(18) . . ?
C78 C77 C76 122(2) . . ?
C77 C78 C73 121(2) . . ?
C80 C79 P5 117.0(16) . . ?
C80 C79 C84 116(2) . . ?
C84 C79 P5 126.6(18) . . ?
C81 C80 C79 123(2) . . ?
C82 C81 C80 121(2) . . ?
C83 C82 C81 120(2) . . ?
C82 C83 C84 122(2) . . ?
C79 C84 C83 119(2) . . ?
C86 C85 P5 117.7(14) . . ?
C90 C85 P5 121.2(14) . . ?
C90 C85 C86 121.0(19) . . ?
C85 C86 C87 118.6(19) . . ?
C88 C87 C86 120(2) . . ?
C87 C88 C89 122(2) . . ?
C90 C89 C88 118(2) . . ?
C85 C90 C89 121.2(19) . . ?
C95B O2 C98B 104(5) . . ?
C95B O2 Li1 121(4) . . ?
C98B O2 Li1 127(4) . . ?
C98A O2 Li1 129(3) . . ?
C98A O2 C95A 105(3) . . ?
C95A O2 Li1 119(3) . . ?
C99 O3 Li1 122.3(18) . . ?
C102 O3 C99 109(2) . . ?
C102 O3 Li1 128(2) . . ?
C106 O4 Li1 124(2) . . ?
C103 O4 C106 108(2) . . ?
C103 O4 Li1 122(2) . . ?
O4 C106 C105 107(2) . . ?
C103 C1A C105 100(3) . . ?
C97B C96B C95B 96(5) . . ?
O3 C99 C100 105(2) . . ?
O2 C95B C96B 106(5) . . ?
O3 C102 C101 109(2) . . ?
C101 C100 C99 106(3) . . ?
O4 C103 C1A 105(3) . . ?
C1B C103 O4 112(3) . . ?
C106 C105 C1A 102(3) . . ?
C106 C105 C1B 107(3) . . ?
C96A C97A C98A 110(6) . . ?
C102 C101 C100 108(3) . . ?
C94B C93B C92B 97(6) . . ?
O2 C98B C97B 99(5) . . ?
O2 Li1 O4 115(3) . . ?
O2 Li1 O1A 108(2) . . ?
O3 Li1 O2 113(2) . . ?
O3 Li1 O4 107(2) . . ?
O3 Li1 O1A 119(3) . . ?
O3 Li1 O1B 116(4) . . ?
O4 Li1 O1A 94(2) . . ?
O1B Li1 O2 94(2) . . ?
O1B Li1 O4 113(3) . . ?
C94A O1A Li1 124(3) . . ?
C91A O1A Li1 126(3) . . ?
C91A O1A C94A 108(3) . . ?
C93A C94A O1A 101(4) . . ?
O1A C91A C92A 107(4) . . ?
C91A C92A C93A 101(4) . . ?
C91B O1B Li1 134(6) . . ?
C94B O1B Li1 123(6) . . ?
C94B O1B C91B 98(6) . . ?
O1B C91B C92B 98(7) . . ?
C91B C92B C93B 97(6) . . ?
O1B C94B C93B 113(7) . . ?
O2 C98A C97A 94(3) . . ?
C96B C97B C98B 105(4) . . ?
C97A C96A C95A 112(6) . . ?
O2 C95A C96A 93(3) . . ?
C94A C93A C92A 108(5) . . ?
C103 C1B C105 105(4) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
