# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_zqc48m
_database_code_depnum_ccdc_archive 'CCDC 1870372'
loop_
_audit_author_name
_audit_author_address
'Yang Li'
;Soochow University/Suzhou University of Science and Technology
China
;
_audit_update_record             
;
2018-09-28 deposited with the CCDC.	2019-02-20 downloaded from the CCDC.
;
_chemical_name_systematic        NIPy
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C113 H87 Cl3 N2 O4'
_chemical_formula_iupac          ?
_chemical_formula_weight         1643.19

_chemical_melting_point          ?

_space_group_crystal_system      triclinic
_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                   9.7201(4)
_cell_length_b                   20.7651(7)
_cell_length_c                   22.6267(8)
_cell_angle_alpha                87.0396(13)
_cell_angle_beta                 83.6537(13)
_cell_angle_gamma                80.6042(13)
_cell_volume                     4475.4(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6385
_cell_measurement_theta_min      2.4046
_cell_measurement_theta_max      25.0108
_cell_measurement_temperature    103.(2)

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.040
_exptl_crystal_density_diffrn    1.219
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1724

_exptl_absorpt_coefficient_mu    0.159
_exptl_absorpt_correction_type   'Numerical Mu Calculated'
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_correction_T_min  0.81
_exptl_absorpt_correction_T_max  0.99

_exptl_special_details           
;
;

_diffrn_ambient_temperature      103.(2)

_diffrn_source                   'Incoatec microfocus source'
_diffrn_source_type              'Bruker D8 Quest'

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'Multilayer Mirror'

_diffrn_measurement_device_type  'Photon II CPADs detector'
_diffrn_measurement_method       'phi and omega scans'

_diffrn_detector_area_resol_mean 7.4074

_diffrn_reflns_number            61873
_diffrn_reflns_av_R_equivalents  0.1313
_diffrn_reflns_av_unetI/netI     0.1039
_diffrn_reflns_theta_min         2.29
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_full        25.05
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26

_refine_special_details          
;
;

_reflns_number_total             15824
_reflns_number_gt                8915
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.1510
_refine_ls_R_factor_gt           0.0886
_refine_ls_wR_factor_gt          0.2432
_refine_ls_wR_factor_ref         0.2978
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.037
_refine_ls_number_reflns         15824
_refine_ls_number_parameters     1145
_refine_ls_number_restraints     156
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    mixed
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1699P)²+2.0443P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.249
_refine_diff_density_min         -1.153
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'APEX3 (Bruker AXS Inc., 2017)'
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_solution    'XS, VERSION 2013/1'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  'APEX3 (Bruker AXS Inc., 2017)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.2050(5) 0.8814(2) 0.2971(2) 0.0336(10) Uani d . . . 1.0 . .
C C2 0.2802(4) 0.8211(2) 0.26915(18) 0.0296(9) Uani d . . . 1.0 . .
C C3 0.3728(4) 0.7789(2) 0.30039(18) 0.0311(10) Uani d . . . 1.0 . .
H H3 0.388734 0.789121 0.339253 0.037 Uiso calc U . R 1.0 . .
C C4 0.4433(4) 0.7211(2) 0.27510(18) 0.0302(9) Uani d . . . 1.0 . .
H H4 0.506176 0.69258 0.297574 0.036 Uiso calc U . R 1.0 . .
C C5 0.4251(4) 0.70397(19) 0.21868(17) 0.0269(9) Uani d . . . 1.0 . .
C C6 0.3344(4) 0.74886(19) 0.18410(18) 0.0279(9) Uani d . . . 1.0 . .
C C7 0.3201(5) 0.7402(2) 0.12345(18) 0.0320(10) Uani d . . . 1.0 . .
H H7 0.3739 0.703781 0.103529 0.038 Uiso calc U . R 1.0 . .
C C8 0.2279(5) 0.7845(2) 0.09299(19) 0.0359(10) Uani d . . . 1.0 . .
H H8 0.218379 0.777794 0.052529 0.043 Uiso calc U . R 1.0 . .
C C9 0.1489(5) 0.8389(2) 0.12101(19) 0.0331(10) Uani d . . . 1.0 . .
H H9 0.083391 0.867813 0.100076 0.04 Uiso calc U . R 1.0 . .
C C10 0.1655(4) 0.8506(2) 0.17823(18) 0.0297(9) Uani d . . . 1.0 . .
C C11 0.0856(5) 0.9104(2) 0.2061(2) 0.0336(10) Uani d . . . 1.0 . .
C C12 0.2595(4) 0.8067(2) 0.21081(18) 0.0282(9) Uani d . . . 1.0 . .
C C13 0.4927(4) 0.63892(19) 0.19694(17) 0.0272(9) Uani d . . . 1.0 . .
C C14 0.6311(4) 0.61355(19) 0.20941(18) 0.0285(9) Uani d . . . 1.0 . .
H H14 0.684515 0.640631 0.226737 0.034 Uiso calc U . R 1.0 . .
C C15 0.6889(5) 0.5506(2) 0.19684(18) 0.0312(10) Uani d . . . 1.0 . .
H H15 0.781083 0.534433 0.206578 0.037 Uiso calc U . R 1.0 . .
C C16 0.6140(4) 0.50875(19) 0.16944(17) 0.0273(9) Uani d . . . 1.0 . .
C C17 0.6662(4) 0.4412(2) 0.16080(17) 0.0292(9) Uani d . . . 1.0 . .
C C18 0.5883(4) 0.4033(2) 0.13263(18) 0.0289(9) Uani d . . . 1.0 . .
C C19 0.6126(5) 0.3309(2) 0.13607(18) 0.0330(10) Uani d . . . 1.0 . .
C C20 0.6860(5) 0.2945(2) 0.1800(2) 0.0387(11) Uani d . . . 1.0 . .
H H20 0.72491 0.317006 0.207924 0.046 Uiso calc U . R 1.0 . .
C C21 0.7035(5) 0.2271(2) 0.1840(2) 0.0418(11) Uani d . . . 1.0 . .
H H21 0.75325 0.204069 0.214457 0.05 Uiso calc U . R 1.0 . .
C C22 0.6496(6) 0.1936(2) 0.1441(2) 0.0500(13) Uani d . . . 1.0 . .
H H22 0.664611 0.147169 0.146665 0.06 Uiso calc U . R 1.0 . .
C C23 0.5730(5) 0.2259(2) 0.0998(2) 0.0420(12) Uani d . . . 1.0 . .
C C24 0.5186(6) 0.1920(2) 0.0572(2) 0.0501(13) Uani d . . . 1.0 . .
H H24 0.531592 0.145622 0.059596 0.06 Uiso calc U . R 1.0 . .
C C25 0.4499(6) 0.2235(2) 0.0138(2) 0.0479(13) Uani d . . . 1.0 . .
H H25 0.419709 0.199039 -0.015276 0.057 Uiso calc U . R 1.0 . .
C C26 0.4201(5) 0.2936(2) 0.0100(2) 0.0389(11) Uani d . . . 1.0 . .
C C27 0.3483(5) 0.3269(2) -0.0357(2) 0.0403(11) Uani d . . . 1.0 . .
H H27 0.315429 0.303173 -0.064569 0.048 Uiso calc U . R 1.0 . .
C C28 0.3258(5) 0.3937(2) -0.03869(19) 0.0366(11) Uani d . . . 1.0 . .
H H28 0.2823 0.416056 -0.071163 0.044 Uiso calc U . R 1.0 . .
C C29 0.3654(4) 0.4295(2) 0.00505(18) 0.0337(10) Uani d . . . 1.0 . .
H H29 0.347699 0.475887 0.002087 0.04 Uiso calc U . R 1.0 . .
C C30 0.4306(4) 0.3987(2) 0.05327(18) 0.0304(10) Uani d . . . 1.0 . .
C C31 0.4745(4) 0.4355(2) 0.10078(17) 0.0281(9) Uani d . . . 1.0 . .
C C32 0.4153(4) 0.4995(2) 0.11374(17) 0.0274(9) Uani d . . . 1.0 . .
C C33 0.4809(4) 0.53619(19) 0.15090(17) 0.0265(9) Uani d . . . 1.0 . .
C C34 0.4207(4) 0.60032(19) 0.16847(17) 0.0272(9) Uani d . . . 1.0 . .
H H34 0.327621 0.617 0.160221 0.033 Uiso calc U . R 1.0 . .
C C35 0.5504(5) 0.2962(2) 0.09688(19) 0.0352(10) Uani d . . . 1.0 . .
C C36 0.4659(4) 0.3297(2) 0.05371(18) 0.0324(10) Uani d . . . 1.0 . .
C C37 0.0306(5) 0.9812(2) 0.2933(2) 0.0428(12) Uani d . . . 1.0 . .
H H37A 0.010476 0.970796 0.336237 0.051 Uiso calc U . R 1.0 . .
H H37B -0.060254 0.992747 0.276354 0.051 Uiso calc U . R 1.0 . .
C C38 0.1061(6) 1.0398(2) 0.2861(2) 0.0517(13) Uani d . . . 1.0 . .
H H38A 0.060941 1.072236 0.315735 0.062 Uiso calc U . R 1.0 . .
H H38B 0.204191 1.025728 0.295076 0.062 Uiso calc U . R 1.0 . .
C C39 0.1074(7) 1.0722(3) 0.2256(2) 0.0560(14) Uani d . . . 1.0 . .
H H39A 0.009331 1.085195 0.216254 0.067 Uiso calc U . R 1.0 . .
H H39B 0.154545 1.039947 0.196099 0.067 Uiso calc U . R 1.0 . .
C C40 0.1794(6) 1.1314(3) 0.2184(3) 0.0588(15) Uani d . . D 1.0 . .
H H40C 0.119766 1.167066 0.241058 0.071 Uiso calc U P DR 0.611(11) A 1
H H40D 0.268649 1.120943 0.236718 0.071 Uiso calc U P DR 0.611(11) A 1
H H40A 0.076(3) 1.141(7) 0.229(6) 0.071 Uiso d U P D 0.389(11) A 2
H H40B 0.213(17) 1.085(2) 0.229(6) 0.071 Uiso d U P D 0.389(11) A 2
C C41 0.2100(10) 1.1556(4) 0.1571(4) 0.046(2) Uani d U P D 0.611(11) A 1
H H41A 0.278507 1.122199 0.135186 0.055 Uiso calc U P R 0.611(11) A 1
H H41B 0.253316 1.195479 0.157574 0.055 Uiso calc U P R 0.611(11) A 1
C C42 0.0795(13) 1.1710(7) 0.1249(5) 0.057(3) Uani d U P D 0.611(11) A 1
H H42A 0.011524 1.205331 0.14569 0.068 Uiso calc U P R 0.611(11) A 1
H H42B 0.034876 1.131435 0.124454 0.068 Uiso calc U P R 0.611(11) A 1
C C43 0.1208(12) 1.1948(7) 0.0599(4) 0.059(3) Uani d U P D 0.611(11) A 1
H H43A 0.155431 1.237013 0.060777 0.071 Uiso calc U P R 0.611(11) A 1
H H43B 0.198055 1.162795 0.041328 0.071 Uiso calc U P R 0.611(11) A 1
C C44 0.0004(13) 1.2033(8) 0.0230(6) 0.076(4) Uani d U P D 0.611(11) A 1
H H44A -0.033741 1.161582 0.021711 0.113 Uiso calc U P R 0.611(11) A 1
H H44B 0.031343 1.217812 -0.017508 0.113 Uiso calc U P R 0.611(11) A 1
H H44C -0.07519 1.236056 0.040495 0.113 Uiso calc U P R 0.611(11) A 1
C C41A 0.129(2) 1.1831(8) 0.1671(7) 0.064(4) Uani d U P D 0.389(11) A 2
H H41C 0.038308 1.208653 0.182613 0.077 Uiso calc U P R 0.389(11) A 2
H H41D 0.197407 1.213907 0.160444 0.077 Uiso calc U P R 0.389(11) A 2
C C42A 0.111(2) 1.1592(9) 0.1079(7) 0.051(4) Uani d U P D 0.389(11) A 2
H H42C 0.043114 1.127979 0.113387 0.061 Uiso calc U P R 0.389(11) A 2
H H42D 0.201577 1.135503 0.090403 0.061 Uiso calc U P R 0.389(11) A 2
C C43A 0.056(2) 1.2166(7) 0.0632(6) 0.053(4) Uani d U P D 0.389(11) A 2
H H43C -0.040922 1.236552 0.076946 0.064 Uiso calc U P R 0.389(11) A 2
H H43D 0.116718 1.250826 0.06058 0.064 Uiso calc U P R 0.389(11) A 2
C C44A 0.061(2) 1.1870(9) 0.0035(7) 0.054(5) Uani d U P D 0.389(11) A 2
H H44D 0.154479 1.162108 -0.006974 0.081 Uiso calc U P R 0.389(11) A 2
H H44E 0.040991 1.221872 -0.026712 0.081 Uiso calc U P R 0.389(11) A 2
H H44F -0.009195 1.157881 0.005252 0.081 Uiso calc U P R 0.389(11) A 2
C C45 0.8064(5) 0.41355(19) 0.18040(19) 0.0309(10) Uani d . . . 1.0 . .
C C46 0.8333(5) 0.4119(2) 0.23986(19) 0.0327(10) Uani d . . . 1.0 . .
H H46 0.762975 0.431274 0.26902 0.039 Uiso calc U . R 1.0 . .
C C47 0.9622(5) 0.3821(2) 0.2566(2) 0.0371(11) Uani d . . . 1.0 . .
H H47 0.97934 0.380555 0.297176 0.045 Uiso calc U . R 1.0 . .
C C48 1.0648(5) 0.3550(2) 0.2146(2) 0.0423(12) Uani d . . . 1.0 . .
H H48 1.152667 0.33435 0.226383 0.051 Uiso calc U . R 1.0 . .
C C49 1.0415(5) 0.3576(2) 0.1554(2) 0.0399(11) Uani d . . . 1.0 . .
H H49 1.113522 0.33905 0.126507 0.048 Uiso calc U . R 1.0 . .
C C50 0.9132(5) 0.3871(2) 0.13820(19) 0.0327(10) Uani d . . . 1.0 . .
H H50 0.89791 0.389333 0.097345 0.039 Uiso calc U . R 1.0 . .
C C51 0.2841(4) 0.5329(2) 0.08907(17) 0.0287(9) Uani d . . . 1.0 . .
C C52 0.2847(4) 0.5905(2) 0.05405(17) 0.0283(9) Uani d . . . 1.0 . .
H H52 0.36691 0.61027 0.048214 0.034 Uiso calc U . R 1.0 . .
C C53 0.1665(5) 0.6187(2) 0.02797(19) 0.0350(10) Uani d . . . 1.0 . .
H H53 0.168454 0.657274 0.003676 0.042 Uiso calc U . R 1.0 . .
C C54 0.0449(5) 0.5910(2) 0.03696(19) 0.0366(11) Uani d . . . 1.0 . .
H H54 -0.035983 0.610282 0.018628 0.044 Uiso calc U . R 1.0 . .
C C55 0.0424(5) 0.5350(2) 0.07290(19) 0.0352(10) Uani d . . . 1.0 . .
H H55 -0.040758 0.51604 0.079527 0.042 Uiso calc U . R 1.0 . .
C C56 0.1602(4) 0.5067(2) 0.09910(18) 0.0305(9) Uani d . . . 1.0 . .
H H56 0.156806 0.46887 0.124312 0.037 Uiso calc U . R 1.0 . .
C C58 -0.1488(4) 0.7682(2) 0.18696(19) 0.0326(10) Uani d . . . 1.0 . .
C C59 -0.0586(4) 0.7153(2) 0.21782(18) 0.0293(9) Uani d . . . 1.0 . .
C C60 -0.0175(4) 0.6560(2) 0.19160(18) 0.0322(10) Uani d . . . 1.0 . .
H H60 -0.046143 0.649295 0.15389 0.039 Uiso calc U . R 1.0 . .
C C61 0.0659(4) 0.6057(2) 0.22010(18) 0.0307(10) Uani d . . . 1.0 . .
H H61 0.091231 0.564801 0.201699 0.037 Uiso calc U . R 1.0 . .
C C62 0.1134(4) 0.6134(2) 0.27456(18) 0.0288(9) Uani d . . . 1.0 . .
C C63 0.0715(4) 0.67412(19) 0.30326(17) 0.0264(9) Uani d . . . 1.0 . .
C C64 0.1040(4) 0.6861(2) 0.36073(17) 0.0292(9) Uani d . . . 1.0 . .
H H64 0.160728 0.652897 0.381558 0.035 Uiso calc U . R 1.0 . .
C C65 0.0554(5) 0.7447(2) 0.38700(19) 0.0339(10) Uani d . . . 1.0 . .
H H65 0.078939 0.751299 0.42565 0.041 Uiso calc U . R 1.0 . .
C C66 -0.0280(5) 0.7947(2) 0.35779(19) 0.0336(10) Uani d . . . 1.0 . .
H H66 -0.059225 0.835349 0.376203 0.04 Uiso calc U . R 1.0 . .
C C67 -0.0653(4) 0.7851(2) 0.30190(18) 0.0292(9) Uani d . . . 1.0 . .
C C68 -0.1561(5) 0.8377(2) 0.27240(19) 0.0325(10) Uani d . . . 1.0 . .
C C69 0.2047(4) 0.5570(2) 0.30045(18) 0.0295(9) Uani d . . . 1.0 . .
C C70 0.1653(5) 0.4943(2) 0.2996(2) 0.0336(10) Uani d . . . 1.0 . .
H H70 0.077871 0.490145 0.286387 0.04 Uiso calc U . R 1.0 . .
C C71 0.2508(5) 0.4398(2) 0.3176(2) 0.0353(10) Uani d . . . 1.0 . .
H H71 0.222335 0.398338 0.315969 0.042 Uiso calc U . R 1.0 . .
C C72 0.3816(4) 0.4436(2) 0.33860(18) 0.0299(9) Uani d . . . 1.0 . .
C C73 0.4771(4) 0.3871(2) 0.35334(18) 0.0311(10) Uani d . . . 1.0 . .
C C74 0.6000(5) 0.3941(2) 0.37729(18) 0.0331(10) Uani d . . . 1.0 . .
C C75 0.7223(5) 0.3413(2) 0.37933(19) 0.0342(10) Uani d . . . 1.0 . .
C C76 0.7429(5) 0.2875(2) 0.3428(2) 0.0394(11) Uani d . . . 1.0 . .
H H76 0.67283 0.282645 0.317961 0.047 Uiso calc U . R 1.0 . .
C C77 0.8641(5) 0.2409(2) 0.3419(2) 0.0451(12) Uani d . . . 1.0 . .
H H77 0.876456 0.205353 0.315941 0.054 Uiso calc U . R 1.0 . .
C C78 0.9658(5) 0.2462(3) 0.3784(2) 0.0487(13) Uani d . . . 1.0 . .
H H78 1.04674 0.21364 0.378346 0.058 Uiso calc U . R 1.0 . .
C C79 0.9510(5) 0.2987(2) 0.4154(2) 0.0425(12) Uani d . . . 1.0 . .
C C80 1.0537(5) 0.3042(3) 0.4552(2) 0.0473(13) Uani d . . . 1.0 . .
H H80 1.135548 0.27215 0.454993 0.057 Uiso calc U . R 1.0 . .
C C81 1.0366(5) 0.3537(3) 0.4927(2) 0.0461(13) Uani d . . . 1.0 . .
H H81 1.103491 0.354851 0.520014 0.055 Uiso calc U . R 1.0 . .
C C82 0.9180(5) 0.4048(2) 0.49173(19) 0.0378(11) Uani d . . . 1.0 . .
C C83 0.8986(5) 0.4559(2) 0.5314(2) 0.0409(12) Uani d . . . 1.0 . .
H H83 0.962594 0.456091 0.560187 0.049 Uiso calc U . R 1.0 . .
C C84 0.7870(5) 0.5057(2) 0.52863(19) 0.0382(11) Uani d . . . 1.0 . .
H H84 0.772712 0.539676 0.556263 0.046 Uiso calc U . R 1.0 . .
C C85 0.6951(5) 0.5065(2) 0.48558(18) 0.0344(10) Uani d . . . 1.0 . .
H H85 0.619067 0.54152 0.484198 0.041 Uiso calc U . R 1.0 . .
C C86 0.7110(4) 0.4577(2) 0.44457(18) 0.0308(10) Uani d . . . 1.0 . .
C C87 0.6140(4) 0.4567(2) 0.39858(18) 0.0299(9) Uani d . . . 1.0 . .
C C88 0.5306(4) 0.5129(2) 0.37780(18) 0.0290(9) Uani d . . . 1.0 . .
C C89 0.4156(4) 0.5069(2) 0.34533(17) 0.0284(9) Uani d . . . 1.0 . .
C C90 0.3282(4) 0.5623(2) 0.32288(17) 0.0284(9) Uani d . . . 1.0 . .
H H90 0.355819 0.604087 0.323355 0.034 Uiso calc U . R 1.0 . .
C C91 0.8309(4) 0.3481(2) 0.41433(19) 0.0341(10) Uani d . . . 1.0 . .
C C92 -0.2755(4) 0.8804(2) 0.1854(2) 0.0354(10) Uani d . . . 1.0 . .
H H92A -0.25997 0.874645 0.141871 0.042 Uiso calc U . R 1.0 . .
H H92B -0.248248 0.922737 0.193581 0.042 Uiso calc U . R 1.0 . .
C C93 -0.4289(5) 0.8814(2) 0.2063(2) 0.0361(10) Uani d . . . 1.0 . .
H H93A -0.443923 0.887615 0.249767 0.043 Uiso calc U . R 1.0 . .
H H93B -0.454997 0.838625 0.198819 0.043 Uiso calc U . R 1.0 . .
C C94 -0.5253(5) 0.9359(2) 0.17501(19) 0.0354(10) Uani d . . . 1.0 . .
H H94A -0.619882 0.941256 0.197234 0.042 Uiso calc U . R 1.0 . .
H H94B -0.488694 0.977451 0.176613 0.042 Uiso calc U . R 1.0 . .
C C95 -0.5385(5) 0.9232(2) 0.11058(19) 0.0331(10) Uani d . . . 1.0 . .
H H95A -0.563121 0.879076 0.108227 0.04 Uiso calc U . R 1.0 . .
H H95B -0.446536 0.923897 0.087097 0.04 Uiso calc U . R 1.0 . .
C C96 -0.6488(5) 0.9731(2) 0.08291(19) 0.0348(10) Uani d . . . 1.0 . .
H H96A -0.739237 0.974971 0.108099 0.042 Uiso calc U . R 1.0 . .
H H96B -0.620278 1.016798 0.082241 0.042 Uiso calc U . R 1.0 . .
C C97 -0.6690(5) 0.9570(2) 0.02020(19) 0.0342(10) Uani d . . . 1.0 . .
H H97A -0.692136 0.912302 0.020771 0.041 Uiso calc U . R 1.0 . .
H H97B -0.579356 0.957249 -0.005205 0.041 Uiso calc U . R 1.0 . .
C C98 -0.7834(5) 1.0038(2) -0.0078(2) 0.0459(12) Uani d . . . 1.0 . .
H H98A -0.872336 1.005626 0.018511 0.055 Uiso calc U . R 1.0 . .
H H98B -0.7578 1.048212 -0.010889 0.055 Uiso calc U . R 1.0 . .
C C99 -0.8057(6) 0.9837(3) -0.0691(2) 0.0551(14) Uani d . . . 1.0 . .
H H99A -0.717886 0.981689 -0.095227 0.083 Uiso calc U . R 1.0 . .
H H99B -0.878362 1.015731 -0.085582 0.083 Uiso calc U . R 1.0 . .
H H99C -0.835321 0.940623 -0.065959 0.083 Uiso calc U . R 1.0 . .
C C100 0.4384(4) 0.3214(2) 0.3460(2) 0.0355(10) Uani d . . . 1.0 . .
C C101 0.4265(5) 0.2796(2) 0.3954(2) 0.0440(12) Uani d . . . 1.0 . .
H H101 0.442712 0.29315 0.433201 0.053 Uiso calc U . R 1.0 . .
C C102 0.3911(5) 0.2182(2) 0.3902(3) 0.0524(14) Uani d . . . 1.0 . .
H H102 0.38178 0.189986 0.424261 0.063 Uiso calc U . R 1.0 . .
C C103 0.3696(6) 0.1986(2) 0.3353(3) 0.0533(14) Uani d . . . 1.0 . .
H H103 0.347065 0.156256 0.331398 0.064 Uiso calc U . R 1.0 . .
C C104 0.3803(5) 0.2392(2) 0.2865(3) 0.0478(13) Uani d . . . 1.0 . .
H H104 0.363921 0.225361 0.248865 0.057 Uiso calc U . R 1.0 . .
C C105 0.4152(5) 0.3014(2) 0.2913(2) 0.0399(11) Uani d . . . 1.0 . .
H H105 0.422901 0.329652 0.257065 0.048 Uiso calc U . R 1.0 . .
C C106 0.5572(4) 0.5799(2) 0.38951(18) 0.0306(10) Uani d . . . 1.0 . .
C C107 0.6843(5) 0.5994(2) 0.36840(18) 0.0347(10) Uani d . . . 1.0 . .
H H107 0.752818 0.570917 0.344893 0.042 Uiso calc U . R 1.0 . .
C C108 0.7115(5) 0.6600(2) 0.3814(2) 0.0423(12) Uani d . . . 1.0 . .
H H108 0.798754 0.672906 0.36682 0.051 Uiso calc U . R 1.0 . .
C C109 0.6144(6) 0.7015(2) 0.4150(2) 0.0453(13) Uani d . . . 1.0 . .
H H109 0.635058 0.742703 0.424255 0.054 Uiso calc U . R 1.0 . .
C C110 0.4844(5) 0.6839(2) 0.43591(19) 0.0400(11) Uani d . . . 1.0 . .
H H110 0.416173 0.713118 0.458798 0.048 Uiso calc U . R 1.0 . .
C C111 0.4565(5) 0.6229(2) 0.42276(18) 0.0314(10) Uani d . . . 1.0 . .
H H111 0.368282 0.610554 0.436499 0.038 Uiso calc U . R 1.0 . .
C C112 0.6344(11) 0.0290(4) 0.3195(6) 0.133(4) Uani d . . . 1.0 . .
H H112 0.702928 -0.012497 0.316231 0.16 Uiso calc U . R 1.0 . .
C C113 -0.0166(4) 0.72551(19) 0.27389(18) 0.0277(9) Uani d . . . 1.0 . .
C C114 0.8194(4) 0.4039(2) 0.45040(18) 0.0325(10) Uani d . . . 1.0 . .
Cl Cl1 0.6418(5) 0.06786(18) 0.24937(19) 0.1944(16) Uani d . . . 1.0 . .
Cl Cl2 0.6930(5) 0.0757(2) 0.36662(19) 0.2069(19) Uani d . . . 1.0 . .
Cl Cl3 0.4749(4) 0.0077(2) 0.3392(3) 0.260(3) Uani d . . . 1.0 . .
N N1 0.1111(4) 0.92215(17) 0.26399(16) 0.0349(9) Uani d . . . 1.0 . .
N N2 -0.1875(4) 0.82739(17) 0.21544(15) 0.0314(8) Uani d . . . 1.0 . .
O O1 0.2216(4) 0.89597(15) 0.34680(14) 0.0444(8) Uani d . . . 1.0 . .
O O2 0.0017(3) 0.94818(15) 0.18001(14) 0.0414(8) Uani d . . . 1.0 . .
O O3 -0.1879(3) 0.76134(16) 0.13889(14) 0.0434(8) Uani d . . . 1.0 . .
O O4 -0.2031(3) 0.88944(15) 0.29609(15) 0.0440(8) Uani d . . . 1.0 . .


_geom_special_details            
;

All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 O1 . 1.215(5) ?
C1 N1 . 1.394(5) ?
C1 C2 . 1.477(6) ?
C2 C3 . 1.377(6) ?
C2 C12 . 1.411(6) ?
C3 C4 . 1.398(6) ?
C4 C5 . 1.380(6) ?
C5 C6 . 1.438(5) ?
C5 C13 . 1.485(6) ?
C6 C7 . 1.418(6) ?
C6 C12 . 1.426(6) ?
C7 C8 . 1.388(6) ?
C8 C9 . 1.396(6) ?
C9 C10 . 1.361(6) ?
C10 C12 . 1.420(6) ?
C10 C11 . 1.484(6) ?
C11 O2 . 1.216(5) ?
C11 N1 . 1.400(6) ?
C13 C34 . 1.372(6) ?
C13 C14 . 1.416(6) ?
C14 C15 . 1.366(6) ?
C15 C16 . 1.426(6) ?
C16 C33 . 1.425(6) ?
C16 C17 . 1.427(6) ?
C17 C18 . 1.398(6) ?
C17 C45 . 1.495(6) ?
C18 C31 . 1.441(6) ?
C18 C19 . 1.481(6) ?
C19 C20 . 1.403(6) ?
C19 C35 . 1.414(6) ?
C20 C21 . 1.382(6) ?
C21 C22 . 1.364(7) ?
C22 C23 . 1.394(7) ?
C23 C24 . 1.417(7) ?
C23 C35 . 1.440(6) ?
C24 C25 . 1.332(7) ?
C25 C26 . 1.438(7) ?
C26 C27 . 1.401(7) ?
C26 C36 . 1.422(6) ?
C27 C28 . 1.368(7) ?
C28 C29 . 1.390(6) ?
C29 C30 . 1.397(6) ?
C30 C36 . 1.416(6) ?
C30 C31 . 1.489(6) ?
C31 C32 . 1.391(6) ?
C32 C33 . 1.427(6) ?
C32 C51 . 1.500(6) ?
C33 C34 . 1.422(6) ?
C35 C36 . 1.427(6) ?
C37 N1 . 1.487(6) ?
C37 C38 . 1.513(7) ?
C38 C39 . 1.495(7) ?
C39 C40 . 1.504(8) ?
C40 C41 . 1.468(9) ?
C40 C41A . 1.603(17) ?
C41 C42 . 1.514(12) ?
C42 C43 . 1.557(11) ?
C43 C44 . 1.494(10) ?
C41A C42A . 1.490(15) ?
C42A C43A . 1.585(16) ?
C43A C44A . 1.506(15) ?
C45 C50 . 1.393(6) ?
C45 C46 . 1.397(6) ?
C46 C47 . 1.386(6) ?
C47 C48 . 1.369(7) ?
C48 C49 . 1.380(7) ?
C49 C50 . 1.385(6) ?
C51 C56 . 1.392(6) ?
C51 C52 . 1.400(6) ?
C52 C53 . 1.380(6) ?
C53 C54 . 1.387(6) ?
C54 C55 . 1.386(7) ?
C55 C56 . 1.379(6) ?
C58 O3 . 1.214(5) ?
C58 N2 . 1.394(5) ?
C58 C59 . 1.484(6) ?
C59 C60 . 1.376(6) ?
C59 C113 . 1.411(6) ?
C60 C61 . 1.389(6) ?
C61 C62 . 1.388(6) ?
C62 C63 . 1.427(6) ?
C62 C69 . 1.486(6) ?
C63 C64 . 1.415(6) ?
C63 C113 . 1.438(5) ?
C64 C65 . 1.371(6) ?
C65 C66 . 1.395(6) ?
C66 C67 . 1.386(6) ?
C67 C113 . 1.408(6) ?
C67 C68 . 1.468(6) ?
C68 O4 . 1.223(5) ?
C68 N2 . 1.392(5) ?
C69 C90 . 1.377(6) ?
C69 C70 . 1.418(6) ?
C70 C71 . 1.361(6) ?
C71 C72 . 1.421(6) ?
C72 C73 . 1.422(6) ?
C72 C89 . 1.425(6) ?
C73 C74 . 1.395(6) ?
C73 C100 . 1.497(6) ?
C74 C87 . 1.443(6) ?
C74 C75 . 1.483(6) ?
C75 C76 . 1.398(6) ?
C75 C91 . 1.416(6) ?
C76 C77 . 1.396(6) ?
C77 C78 . 1.379(7) ?
C78 C79 . 1.388(7) ?
C79 C91 . 1.424(6) ?
C79 C80 . 1.438(7) ?
C80 C81 . 1.343(7) ?
C81 C82 . 1.435(7) ?
C82 C83 . 1.399(7) ?
C82 C114 . 1.414(6) ?
C83 C84 . 1.376(7) ?
C84 C85 . 1.391(6) ?
C85 C86 . 1.388(6) ?
C86 C114 . 1.416(6) ?
C86 C87 . 1.483(6) ?
C87 C88 . 1.399(6) ?
C88 C89 . 1.430(6) ?
C88 C106 . 1.497(6) ?
C89 C90 . 1.421(6) ?
C91 C114 . 1.435(6) ?
C92 N2 . 1.466(5) ?
C92 C93 . 1.511(6) ?
C93 C94 . 1.542(6) ?
C94 C95 . 1.517(6) ?
C95 C96 . 1.527(6) ?
C96 C97 . 1.515(6) ?
C97 C98 . 1.523(6) ?
C98 C99 . 1.517(7) ?
C100 C105 . 1.378(6) ?
C100 C101 . 1.386(7) ?
C101 C102 . 1.388(7) ?
C102 C103 . 1.375(8) ?
C103 C104 . 1.360(8) ?
C104 C105 . 1.400(7) ?
C106 C107 . 1.391(6) ?
C106 C111 . 1.394(6) ?
C107 C108 . 1.379(7) ?
C108 C109 . 1.361(7) ?
C109 C110 . 1.398(7) ?
C110 C111 . 1.390(6) ?
C112 Cl2 . 1.681(12) ?
C112 Cl3 . 1.688(10) ?
C112 Cl1 . 1.742(11) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 C1 N1 . . 119.9(4) ?
O1 C1 C2 . . 122.8(4) ?
N1 C1 C2 . . 117.3(4) ?
C3 C2 C12 . . 119.8(4) ?
C3 C2 C1 . . 119.4(4) ?
C12 C2 C1 . . 120.8(4) ?
C2 C3 C4 . . 120.2(4) ?
C5 C4 C3 . . 122.5(4) ?
C4 C5 C6 . . 118.3(4) ?
C4 C5 C13 . . 119.5(3) ?
C6 C5 C13 . . 122.2(3) ?
C7 C6 C12 . . 117.7(4) ?
C7 C6 C5 . . 123.3(4) ?
C12 C6 C5 . . 118.9(4) ?
C8 C7 C6 . . 120.5(4) ?
C7 C8 C9 . . 120.9(4) ?
C10 C9 C8 . . 120.2(4) ?
C9 C10 C12 . . 120.6(4) ?
C9 C10 C11 . . 119.3(4) ?
C12 C10 C11 . . 120.1(4) ?
O2 C11 N1 . . 120.9(4) ?
O2 C11 C10 . . 121.8(4) ?
N1 C11 C10 . . 117.3(4) ?
C2 C12 C10 . . 119.9(4) ?
C2 C12 C6 . . 120.2(4) ?
C10 C12 C6 . . 119.9(4) ?
C34 C13 C14 . . 118.5(4) ?
C34 C13 C5 . . 121.5(4) ?
C14 C13 C5 . . 119.8(4) ?
C15 C14 C13 . . 120.9(4) ?
C14 C15 C16 . . 121.5(4) ?
C33 C16 C15 . . 117.7(4) ?
C33 C16 C17 . . 119.5(4) ?
C15 C16 C17 . . 122.8(4) ?
C18 C17 C16 . . 119.7(4) ?
C18 C17 C45 . . 121.7(4) ?
C16 C17 C45 . . 118.5(4) ?
C17 C18 C31 . . 118.9(4) ?
C17 C18 C19 . . 123.2(4) ?
C31 C18 C19 . . 117.8(4) ?
C20 C19 C35 . . 117.4(4) ?
C20 C19 C18 . . 122.9(4) ?
C35 C19 C18 . . 119.4(4) ?
C21 C20 C19 . . 122.3(4) ?
C22 C21 C20 . . 120.1(5) ?
C21 C22 C23 . . 121.4(4) ?
C22 C23 C24 . . 122.4(4) ?
C22 C23 C35 . . 118.6(4) ?
C24 C23 C35 . . 119.1(4) ?
C25 C24 C23 . . 121.7(5) ?
C24 C25 C26 . . 121.6(4) ?
C27 C26 C36 . . 119.5(4) ?
C27 C26 C25 . . 121.7(4) ?
C36 C26 C25 . . 118.7(4) ?
C28 C27 C26 . . 119.8(4) ?
C27 C28 C29 . . 121.1(4) ?
C28 C29 C30 . . 121.3(4) ?
C29 C30 C36 . . 117.8(4) ?
C29 C30 C31 . . 122.6(4) ?
C36 C30 C31 . . 119.4(4) ?
C32 C31 C18 . . 119.4(4) ?
C32 C31 C30 . . 123.3(4) ?
C18 C31 C30 . . 117.2(4) ?
C31 C32 C33 . . 120.1(4) ?
C31 C32 C51 . . 122.4(4) ?
C33 C32 C51 . . 117.5(3) ?
C34 C33 C16 . . 118.5(4) ?
C34 C33 C32 . . 122.5(4) ?
C16 C33 C32 . . 119.0(4) ?
C13 C34 C33 . . 122.2(4) ?
C19 C35 C36 . . 121.0(4) ?
C19 C35 C23 . . 120.0(4) ?
C36 C35 C23 . . 119.0(4) ?
C30 C36 C26 . . 120.0(4) ?
C30 C36 C35 . . 120.4(4) ?
C26 C36 C35 . . 119.5(4) ?
N1 C37 C38 . . 113.6(4) ?
C39 C38 C37 . . 114.2(4) ?
C38 C39 C40 . . 114.6(5) ?
C41 C40 C39 . . 115.8(6) ?
C39 C40 C41A . . 115.2(8) ?
C40 C41 C42 . . 112.1(8) ?
C41 C42 C43 . . 109.1(9) ?
C44 C43 C42 . . 112.3(10) ?
C42A C41A C40 . . 119.3(12) ?
C41A C42A C43A . . 112.6(14) ?
C44A C43A C42A . . 107.0(13) ?
C50 C45 C46 . . 118.6(4) ?
C50 C45 C17 . . 119.0(4) ?
C46 C45 C17 . . 122.3(4) ?
C47 C46 C45 . . 120.3(4) ?
C48 C47 C46 . . 120.2(4) ?
C47 C48 C49 . . 120.4(4) ?
C48 C49 C50 . . 120.0(4) ?
C49 C50 C45 . . 120.4(4) ?
C56 C51 C52 . . 118.5(4) ?
C56 C51 C32 . . 121.0(4) ?
C52 C51 C32 . . 120.5(4) ?
C53 C52 C51 . . 120.3(4) ?
C52 C53 C54 . . 120.5(4) ?
C55 C54 C53 . . 119.4(4) ?
C56 C55 C54 . . 120.3(4) ?
C55 C56 C51 . . 120.9(4) ?
O3 C58 N2 . . 120.4(4) ?
O3 C58 C59 . . 122.4(4) ?
N2 C58 C59 . . 117.2(4) ?
C60 C59 C113 . . 120.2(4) ?
C60 C59 C58 . . 119.5(4) ?
C113 C59 C58 . . 120.4(4) ?
C59 C60 C61 . . 120.2(4) ?
C62 C61 C60 . . 122.2(4) ?
C61 C62 C63 . . 119.0(4) ?
C61 C62 C69 . . 117.8(4) ?
C63 C62 C69 . . 123.2(4) ?
C64 C63 C62 . . 124.2(4) ?
C64 C63 C113 . . 117.2(4) ?
C62 C63 C113 . . 118.4(4) ?
C65 C64 C63 . . 121.5(4) ?
C64 C65 C66 . . 120.9(4) ?
C67 C66 C65 . . 120.0(4) ?
C66 C67 C113 . . 120.2(4) ?
C66 C67 C68 . . 119.3(4) ?
C113 C67 C68 . . 120.5(4) ?
O4 C68 N2 . . 119.9(4) ?
O4 C68 C67 . . 122.2(4) ?
N2 C68 C67 . . 117.9(4) ?
C90 C69 C70 . . 118.5(4) ?
C90 C69 C62 . . 123.2(4) ?
C70 C69 C62 . . 118.2(4) ?
C71 C70 C69 . . 121.1(4) ?
C70 C71 C72 . . 121.5(4) ?
C71 C72 C73 . . 122.4(4) ?
C71 C72 C89 . . 117.8(4) ?
C73 C72 C89 . . 119.7(4) ?
C74 C73 C72 . . 119.7(4) ?
C74 C73 C100 . . 121.6(4) ?
C72 C73 C100 . . 118.5(4) ?
C73 C74 C87 . . 119.1(4) ?
C73 C74 C75 . . 123.7(4) ?
C87 C74 C75 . . 117.1(4) ?
C76 C75 C91 . . 117.7(4) ?
C76 C75 C74 . . 122.3(4) ?
C91 C75 C74 . . 119.7(4) ?
C77 C76 C75 . . 121.6(5) ?
C78 C77 C76 . . 120.2(5) ?
C77 C78 C79 . . 120.6(4) ?
C78 C79 C91 . . 119.3(4) ?
C78 C79 C80 . . 121.5(4) ?
C91 C79 C80 . . 119.2(5) ?
C81 C80 C79 . . 121.4(5) ?
C80 C81 C82 . . 120.6(5) ?
C83 C82 C114 . . 119.4(4) ?
C83 C82 C81 . . 120.7(4) ?
C114 C82 C81 . . 119.9(5) ?
C84 C83 C82 . . 120.0(4) ?
C83 C84 C85 . . 120.3(5) ?
C86 C85 C84 . . 122.0(4) ?
C85 C86 C114 . . 117.6(4) ?
C85 C86 C87 . . 123.3(4) ?
C114 C86 C87 . . 118.9(4) ?
C88 C87 C74 . . 119.1(4) ?
C88 C87 C86 . . 123.1(4) ?
C74 C87 C86 . . 117.7(4) ?
C87 C88 C89 . . 119.7(4) ?
C87 C88 C106 . . 121.7(4) ?
C89 C88 C106 . . 118.6(4) ?
C90 C89 C72 . . 118.8(4) ?
C90 C89 C88 . . 122.0(4) ?
C72 C89 C88 . . 119.0(4) ?
C69 C90 C89 . . 121.7(4) ?
C75 C91 C79 . . 120.4(4) ?
C75 C91 C114 . . 120.4(4) ?
C79 C91 C114 . . 119.2(4) ?
N2 C92 C93 . . 111.1(4) ?
C92 C93 C94 . . 112.8(4) ?
C95 C94 C93 . . 114.2(4) ?
C94 C95 C96 . . 113.2(3) ?
C97 C96 C95 . . 112.8(4) ?
C96 C97 C98 . . 114.3(4) ?
C99 C98 C97 . . 112.5(4) ?
C105 C100 C101 . . 119.6(4) ?
C105 C100 C73 . . 121.5(4) ?
C101 C100 C73 . . 118.9(4) ?
C100 C101 C102 . . 120.4(5) ?
C103 C102 C101 . . 119.6(5) ?
C104 C103 C102 . . 120.5(5) ?
C103 C104 C105 . . 120.5(5) ?
C100 C105 C104 . . 119.5(5) ?
C107 C106 C111 . . 119.1(4) ?
C107 C106 C88 . . 120.2(4) ?
C111 C106 C88 . . 120.7(4) ?
C108 C107 C106 . . 120.4(5) ?
C109 C108 C107 . . 120.5(5) ?
C108 C109 C110 . . 120.6(5) ?
C111 C110 C109 . . 119.1(5) ?
C110 C111 C106 . . 120.4(4) ?
Cl2 C112 Cl3 . . 116.8(7) ?
Cl2 C112 Cl1 . . 108.1(5) ?
Cl3 C112 Cl1 . . 111.0(8) ?
C67 C113 C59 . . 119.8(4) ?
C67 C113 C63 . . 120.2(4) ?
C59 C113 C63 . . 120.0(4) ?
C82 C114 C86 . . 120.3(4) ?
C82 C114 C91 . . 119.2(4) ?
C86 C114 C91 . . 120.5(4) ?
C1 N1 C11 . . 124.5(4) ?
C1 N1 C37 . . 117.1(4) ?
C11 N1 C37 . . 118.3(4) ?
C68 N2 C58 . . 123.9(3) ?
C68 N2 C92 . . 117.9(3) ?
C58 N2 C92 . . 118.0(3) ?



_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
