# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_f058
_database_code_depnum_ccdc_archive 'CCDC 1503772'
_audit_update_record             
;
2016-09-09 deposited with the CCDC.
2017-02-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C84 H60 N4 O8 Zn2'
_chemical_formula_weight         1384.10

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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.3376(6)
_cell_length_b                   10.4327(6)
_cell_length_c                   17.2410(12)
_cell_angle_alpha                72.432(2)
_cell_angle_beta                 88.856(3)
_cell_angle_gamma                60.397(2)
_cell_volume                     1522.49(17)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5901
_cell_measurement_theta_min      2.38
_cell_measurement_theta_max      25.26

_exptl_crystal_description       plate
_exptl_crystal_colour            red
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_F_000             716
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.148
_exptl_crystal_size_mid          0.107
_exptl_crystal_size_min          0.057
_exptl_absorpt_coefficient_mu    0.858
_shelx_estimated_absorpt_T_min   0.884
_shelx_estimated_absorpt_T_max   0.953
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.884
_exptl_absorpt_correction_T_max  0.953
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2011)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            27604
_diffrn_reflns_av_unetI/netI     0.0631
_diffrn_reflns_av_R_equivalents  0.0794
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.291
_diffrn_reflns_theta_max         26.401
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6205
_reflns_number_gt                4626
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0353P)²+1.8271P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6205
_refine_ls_number_parameters     442
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0758
_refine_ls_R_factor_gt           0.0453
_refine_ls_wR_factor_ref         0.0975
_refine_ls_wR_factor_gt          0.0876
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_restrained_S_all      1.008
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Zn1 Zn 0.43110(4) 0.37144(4) 0.08994(2) 0.01470(10) Uani 1 1 d . . . . .
N1 N 0.5131(3) 0.4211(3) 0.18516(14) 0.0146(5) Uani 1 1 d . . . . .
O1 O 0.2773(2) 0.6019(2) 0.03692(12) 0.0227(5) Uani 1 1 d . . . . .
O2 O 0.3604(2) 0.7302(3) -0.05972(13) 0.0257(5) Uani 1 1 d . . . . .
O3 O 0.4612(2) 0.1596(3) 0.17635(12) 0.0260(5) Uani 1 1 d . . . . .
O4 O 0.2300(3) 0.3596(2) 0.15929(12) 0.0264(5) Uani 1 1 d . . . . .
C1 C 0.4273(3) 0.4649(3) 0.24222(17) 0.0162(6) Uani 1 1 d . . . . .
H1 H 0.3250 0.4927 0.2336 0.019 Uiso 1 1 calc R U . . .
C2 C 0.4805(3) 0.4716(3) 0.31295(17) 0.0162(6) Uani 1 1 d . . . . .
H2 H 0.4157 0.5013 0.3521 0.019 Uiso 1 1 calc R U . . .
C3 C 0.6291(3) 0.4347(3) 0.32688(16) 0.0128(6) Uani 1 1 d . . . . .
C4 C 0.7147(3) 0.3981(3) 0.26504(17) 0.0164(6) Uani 1 1 d . . . . .
H4 H 0.8151 0.3776 0.2698 0.020 Uiso 1 1 calc R U . . .
C5 C 0.6542(3) 0.3914(3) 0.19708(17) 0.0166(6) Uani 1 1 d . . . . .
H5 H 0.7159 0.3643 0.1564 0.020 Uiso 1 1 calc R U . . .
C6 C 0.6907(3) 0.4299(3) 0.40438(16) 0.0132(6) Uani 1 1 d . . . . .
H6 H 0.6235 0.4591 0.4426 0.016 Uiso 1 1 calc R U . . .
C7 C 0.8329(3) 0.3880(3) 0.42579(16) 0.0127(6) Uani 1 1 d . . . . .
H7 H 0.8997 0.3614 0.3871 0.015 Uiso 1 1 calc R U . . .
C8 C 0.8947(3) 0.3796(3) 0.50464(16) 0.0123(6) Uani 1 1 d . . . . .
C9 C 0.8239(3) 0.5076(3) 0.53396(16) 0.0113(6) Uani 1 1 d . . . . .
C10 C 0.6974(3) 0.6553(3) 0.48569(16) 0.0144(6) Uani 1 1 d . . . . .
H10 H 0.6602 0.6678 0.4324 0.017 Uiso 1 1 calc R U . . .
C11 C 0.6293(3) 0.7781(3) 0.51423(17) 0.0177(6) Uani 1 1 d . . . . .
H11 H 0.5439 0.8738 0.4815 0.021 Uiso 1 1 calc R U . . .
C12 C 0.6854(3) 0.7633(3) 0.59234(18) 0.0184(6) Uani 1 1 d . . . . .
H12 H 0.6368 0.8485 0.6125 0.022 Uiso 1 1 calc R U . . .
C13 C 0.8088(3) 0.6272(3) 0.63881(17) 0.0153(6) Uani 1 1 d . . . . .
H13 H 0.8472 0.6209 0.6903 0.018 Uiso 1 1 calc R U . . .
C14 C 0.8826(3) 0.4932(3) 0.61272(16) 0.0117(6) Uani 1 1 d . . . . .
C15 C 1.0128(3) 0.3531(3) 0.66076(16) 0.0137(6) Uani 1 1 d . . . . .
C16 C 1.0861(3) 0.2261(3) 0.63062(16) 0.0128(6) Uani 1 1 d . . . . .
C17 C 1.0268(3) 0.2407(3) 0.55158(16) 0.0123(6) Uani 1 1 d . . . . .
C18 C 1.1013(3) 0.1089(3) 0.52355(17) 0.0156(6) Uani 1 1 d . . . . .
H18 H 1.0615 0.1158 0.4723 0.019 Uiso 1 1 calc R U . . .
C19 C 1.2273(3) -0.0252(3) 0.56840(17) 0.0178(6) Uani 1 1 d . . . . .
H19 H 1.2769 -0.1091 0.5473 0.021 Uiso 1 1 calc R U . . .
C20 C 1.2849(3) -0.0406(3) 0.64630(17) 0.0182(6) Uani 1 1 d . . . . .
H20 H 1.3727 -0.1351 0.6776 0.022 Uiso 1 1 calc R U . . .
C21 C 1.2155(3) 0.0790(3) 0.67678(17) 0.0154(6) Uani 1 1 d . . . . .
H21 H 1.2538 0.0648 0.7302 0.019 Uiso 1 1 calc R U . . .
C22 C 1.0650(3) 0.3467(3) 0.74199(17) 0.0164(6) Uani 1 1 d . . . . .
H22 H 0.9894 0.3855 0.7748 0.020 Uiso 1 1 calc R U . . .
C23 C 1.2036(3) 0.2935(3) 0.77388(17) 0.0187(6) Uani 1 1 d . . . . .
H23 H 1.2814 0.2475 0.7436 0.022 Uiso 1 1 calc R U . . .
C24 C 1.2020(3) 0.4106(3) 0.96062(17) 0.0168(6) Uani 1 1 d . . . . .
H24 H 1.1324 0.4801 0.9862 0.020 Uiso 1 1 calc R U . . .
C25 C 1.1480(3) 0.4003(3) 0.89152(17) 0.0163(6) Uani 1 1 d . . . . .
H25 H 1.0433 0.4616 0.8705 0.020 Uiso 1 1 calc R U . . .
C26 C 1.2480(3) 0.2995(3) 0.85259(17) 0.0172(6) Uani 1 1 d . . . . .
C27 C 1.3987(3) 0.2068(4) 0.88923(18) 0.0230(7) Uani 1 1 d . . . . .
H27 H 1.4702 0.1325 0.8667 0.028 Uiso 1 1 calc R U . . .
C28 C 1.4430(3) 0.2240(3) 0.95835(18) 0.0221(7) Uani 1 1 d . . . . .
H28 H 1.5461 0.1597 0.9825 0.026 Uiso 1 1 calc R U . . .
N2 N 1.3487(3) 0.3265(3) 0.99346(14) 0.0164(5) Uani 1 1 d . . . . .
C29 C 0.2587(3) 0.7161(3) -0.02362(17) 0.0181(6) Uani 1 1 d . . . . .
C30 C 0.0989(3) 0.8476(3) -0.05796(17) 0.0166(6) Uani 1 1 d . . . . .
C31 C -0.0205(3) 0.8331(3) -0.02740(18) 0.0207(7) Uani 1 1 d . . . . .
H31 H -0.0008 0.7423 0.0170 0.025 Uiso 1 1 calc R U . . .
C32 C -0.1675(3) 0.9498(4) -0.06110(19) 0.0246(7) Uani 1 1 d . . . . .
H32 H -0.2484 0.9379 -0.0407 0.030 Uiso 1 1 calc R U . . .
C33 C -0.1970(3) 1.0842(4) -0.12457(19) 0.0249(7) Uani 1 1 d . . . . .
H33 H -0.2980 1.1650 -0.1474 0.030 Uiso 1 1 calc R U . . .
C34 C -0.0793(4) 1.1000(4) -0.1543(2) 0.0288(8) Uani 1 1 d . . . . .
H34 H -0.0993 1.1923 -0.1975 0.035 Uiso 1 1 calc R U . . .
C35 C 0.0682(4) 0.9822(4) -0.12159(19) 0.0244(7) Uani 1 1 d . . . . .
H35 H 0.1487 0.9937 -0.1429 0.029 Uiso 1 1 calc R U . . .
C36 C 0.3251(4) 0.2173(4) 0.18964(17) 0.0213(7) Uani 1 1 d . . . . .
C37 C 0.2818(3) 0.1068(3) 0.24475(17) 0.0186(6) Uani 1 1 d . . . . .
C38 C 0.3901(3) -0.0422(4) 0.29422(19) 0.0225(7) Uani 1 1 d . . . . .
H38 H 0.4937 -0.0761 0.2927 0.027 Uiso 1 1 calc R U . . .
C39 C 0.3495(4) -0.1427(4) 0.3460(2) 0.0271(7) Uani 1 1 d . . . . .
H39 H 0.4252 -0.2450 0.3791 0.032 Uiso 1 1 calc R U . . .
C40 C 0.2010(4) -0.0949(4) 0.3495(2) 0.0280(8) Uani 1 1 d . . . . .
H40 H 0.1737 -0.1636 0.3855 0.034 Uiso 1 1 calc R U . . .
C41 C 0.0902(3) 0.0535(4) 0.30088(19) 0.0257(7) Uani 1 1 d . . . . .
H41 H -0.0130 0.0866 0.3033 0.031 Uiso 1 1 calc R U . . .
C42 C 0.1302(3) 0.1540(4) 0.24861(19) 0.0240(7) Uani 1 1 d . . . . .
H42 H 0.0540 0.2557 0.2151 0.029 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 O2 2.018(2) 2_665 ?
Zn1 O1 2.025(2) . ?
Zn1 O3 2.134(2) . ?
Zn1 N2 2.153(2) 1_454 ?
Zn1 N1 2.165(2) . ?
Zn1 O4 2.415(2) . ?
Zn1 C36 2.596(3) . ?
N1 C5 1.339(3) . ?
N1 C1 1.341(4) . ?
O1 C29 1.256(3) . ?
O2 C29 1.259(3) . ?
O2 Zn1 2.018(2) 2_665 ?
O3 C36 1.276(4) . ?
O4 C36 1.246(4) . ?
C1 C2 1.382(4) . ?
C2 C3 1.394(4) . ?
C3 C4 1.393(4) . ?
C3 C6 1.468(4) . ?
C4 C5 1.375(4) . ?
C6 C7 1.333(4) . ?
C7 C8 1.474(3) . ?
C8 C17 1.414(4) . ?
C8 C9 1.415(4) . ?
C9 C10 1.433(4) . ?
C9 C14 1.433(4) . ?
C10 C11 1.362(4) . ?
C11 C12 1.411(4) . ?
C12 C13 1.360(4) . ?
C13 C14 1.433(4) . ?
C14 C15 1.415(4) . ?
C15 C16 1.417(4) . ?
C15 C22 1.481(4) . ?
C16 C21 1.434(4) . ?
C16 C17 1.440(4) . ?
C17 C18 1.434(4) . ?
C18 C19 1.356(4) . ?
C19 C20 1.411(4) . ?
C20 C21 1.358(4) . ?
C22 C23 1.314(4) . ?
C23 C26 1.470(4) . ?
C24 N2 1.345(3) . ?
C24 C25 1.380(4) . ?
C25 C26 1.397(4) . ?
C26 C27 1.394(4) . ?
C27 C28 1.376(4) . ?
C28 N2 1.341(4) . ?
N2 Zn1 2.153(2) 1_656 ?
C29 C30 1.507(4) . ?
C30 C35 1.386(4) . ?
C30 C31 1.390(4) . ?
C31 C32 1.382(4) . ?
C32 C33 1.386(4) . ?
C33 C34 1.376(4) . ?
C34 C35 1.385(4) . ?
C36 C37 1.505(4) . ?
C37 C38 1.384(4) . ?
C37 C42 1.398(4) . ?
C38 C39 1.388(4) . ?
C39 C40 1.367(4) . ?
C40 C41 1.384(4) . ?
C41 C42 1.388(4) . ?

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
O2 Zn1 O1 122.85(9) 2_665 . ?
O2 Zn1 O3 94.60(9) 2_665 . ?
O1 Zn1 O3 142.51(9) . . ?
O2 Zn1 N2 89.76(8) 2_665 1_454 ?
O1 Zn1 N2 88.74(8) . 1_454 ?
O3 Zn1 N2 89.82(8) . 1_454 ?
O2 Zn1 N1 90.21(8) 2_665 . ?
O1 Zn1 N1 90.28(8) . . ?
O3 Zn1 N1 91.35(8) . . ?
N2 Zn1 N1 178.82(9) 1_454 . ?
O2 Zn1 O4 152.07(8) 2_665 . ?
O1 Zn1 O4 84.77(8) . . ?
O3 Zn1 O4 57.75(8) . . ?
N2 Zn1 O4 86.52(8) 1_454 . ?
N1 Zn1 O4 94.05(8) . . ?
O2 Zn1 C36 123.65(10) 2_665 . ?
O1 Zn1 C36 113.28(10) . . ?
O3 Zn1 C36 29.28(9) . . ?
N2 Zn1 C36 86.61(9) 1_454 . ?
N1 Zn1 C36 94.38(8) . . ?
O4 Zn1 C36 28.52(8) . . ?
C5 N1 C1 116.7(2) . . ?
C5 N1 Zn1 123.18(18) . . ?
C1 N1 Zn1 119.57(18) . . ?
C29 O1 Zn1 138.7(2) . . ?
C29 O2 Zn1 149.0(2) . 2_665 ?
C36 O3 Zn1 95.87(18) . . ?
C36 O4 Zn1 83.85(18) . . ?
N1 C1 C2 123.2(3) . . ?
C1 C2 C3 120.0(3) . . ?
C4 C3 C2 116.3(2) . . ?
C4 C3 C6 123.0(2) . . ?
C2 C3 C6 120.7(2) . . ?
C5 C4 C3 120.1(3) . . ?
N1 C5 C4 123.5(3) . . ?
C7 C6 C3 125.6(3) . . ?
C6 C7 C8 125.2(3) . . ?
C17 C8 C9 119.8(2) . . ?
C17 C8 C7 119.1(2) . . ?
C9 C8 C7 121.1(2) . . ?
C8 C9 C10 121.9(2) . . ?
C8 C9 C14 119.7(2) . . ?
C10 C9 C14 118.3(2) . . ?
C11 C10 C9 121.8(3) . . ?
C10 C11 C12 120.0(3) . . ?
C13 C12 C11 120.1(3) . . ?
C12 C13 C14 122.2(3) . . ?
C15 C14 C13 121.7(2) . . ?
C15 C14 C9 120.7(2) . . ?
C13 C14 C9 117.5(2) . . ?
C14 C15 C16 119.7(2) . . ?
C14 C15 C22 117.3(2) . . ?
C16 C15 C22 123.0(2) . . ?
C15 C16 C21 122.9(2) . . ?
C15 C16 C17 119.6(2) . . ?
C21 C16 C17 117.4(2) . . ?
C8 C17 C18 121.2(2) . . ?
C8 C17 C16 120.5(2) . . ?
C18 C17 C16 118.3(2) . . ?
C19 C18 C17 121.6(3) . . ?
C18 C19 C20 120.2(3) . . ?
C21 C20 C19 120.4(3) . . ?
C20 C21 C16 121.9(3) . . ?
C23 C22 C15 127.5(3) . . ?
C22 C23 C26 125.3(3) . . ?
N2 C24 C25 123.0(3) . . ?
C24 C25 C26 119.6(3) . . ?
C27 C26 C25 117.1(3) . . ?
C27 C26 C23 119.4(3) . . ?
C25 C26 C23 123.4(3) . . ?
C28 C27 C26 119.4(3) . . ?
N2 C28 C27 123.6(3) . . ?
C28 N2 C24 117.1(2) . . ?
C28 N2 Zn1 121.35(19) . 1_656 ?
C24 N2 Zn1 121.30(19) . 1_656 ?
O1 C29 O2 126.4(3) . . ?
O1 C29 C30 117.0(3) . . ?
O2 C29 C30 116.6(3) . . ?
C35 C30 C31 119.0(3) . . ?
C35 C30 C29 120.9(3) . . ?
C31 C30 C29 120.0(3) . . ?
C32 C31 C30 120.5(3) . . ?
C31 C32 C33 120.0(3) . . ?
C34 C33 C32 119.7(3) . . ?
C33 C34 C35 120.5(3) . . ?
C34 C35 C30 120.3(3) . . ?
O4 C36 O3 122.3(3) . . ?
O4 C36 C37 120.2(3) . . ?
O3 C36 C37 117.5(3) . . ?
O4 C36 Zn1 67.64(16) . . ?
O3 C36 Zn1 54.85(14) . . ?
C37 C36 Zn1 171.4(2) . . ?
C38 C37 C42 118.3(3) . . ?
C38 C37 C36 121.2(3) . . ?
C42 C37 C36 120.5(3) . . ?
C37 C38 C39 120.9(3) . . ?
C40 C39 C38 120.2(3) . . ?
C39 C40 C41 120.1(3) . . ?
C40 C41 C42 119.8(3) . . ?
C41 C42 C37 120.6(3) . . ?

_refine_diff_density_max         0.427
_refine_diff_density_min         -0.625
_refine_diff_density_rms         0.080



