# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_Zn-CP
_database_code_depnum_ccdc_archive 'CCDC 2092771'
_audit_update_record             
;
2021-08-20 deposited with the CCDC.	2021-09-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H34 N4 O14 Zn2'
_chemical_formula_weight         853.39

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P 21/n'

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

_cell_length_a                   8.8708(5)
_cell_length_b                   28.9726(15)
_cell_length_c                   13.5048(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 91.9020(10)
_cell_angle_gamma                90.00
_cell_volume                     3469.0(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    8027
_cell_measurement_theta_min      1.41
_cell_measurement_theta_max      28.29

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            YELLOW
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.634
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1752
_exptl_absorpt_coefficient_mu    1.460
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.711
_exptl_absorpt_correction_T_max  0.769
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            25433
_diffrn_reflns_av_R_equivalents  0.0284
_diffrn_reflns_av_sigmaI/netI    0.0337
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.41
_diffrn_reflns_theta_max         28.29
_reflns_number_total             8592
_reflns_number_gt                6824
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2001)'
_computing_cell_refinement       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT+ (Bruker, 1999)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXTL (1998)'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0360P)²+2.1470P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8592
_refine_ls_number_parameters     487
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0500
_refine_ls_R_factor_gt           0.0339
_refine_ls_wR_factor_ref         0.0831
_refine_ls_wR_factor_gt          0.0774
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_restrained_S_all      1.013
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.76951(3) 0.387598(9) 0.353162(19) 0.02462(7) Uani 1 1 d . . .
O1W O 0.82306(18) 0.35330(5) 0.23152(12) 0.0335(4) Uani 1 1 d . . .
H1WA H 0.7698 0.3291 0.2237 0.040 Uiso 1 1 d R . .
H1WB H 0.7926 0.3679 0.2817 0.040 Uiso 1 1 d R . .
O1 O 0.56352(18) 0.36721(6) 0.38272(12) 0.0389(4) Uani 1 1 d . . .
N1 N 0.7598(2) 0.45439(6) 0.30344(14) 0.0270(4) Uani 1 1 d . . .
C1 C 0.7673(3) 0.48868(9) 0.37004(18) 0.0392(6) Uani 1 1 d . . .
H1A H 0.7805 0.4813 0.4368 0.047 Uiso 1 1 calc R . .
Zn2 Zn -0.04245(3) 0.248021(8) 0.476610(19) 0.02457(7) Uani 1 1 d . . .
O2 O 0.6536(2) 0.39912(8) 0.51813(14) 0.0520(5) Uani 1 1 d . . .
N2 N 0.7545(2) 0.49945(6) -0.00278(13) 0.0267(4) Uani 1 1 d . . .
H2B H 0.8135 0.4769 0.0133 0.032 Uiso 1 1 calc R . .
C2 C 0.7561(4) 0.53434(9) 0.3433(2) 0.0493(7) Uani 1 1 d . . .
H2A H 0.7632 0.5575 0.3910 0.059 Uiso 1 1 calc R . .
O2W O 0.4287(2) 0.61376(7) -0.06135(15) 0.0545(5) Uani 1 1 d . . .
H2WA H 0.4833 0.5963 -0.0245 0.065 Uiso 1 1 d R . .
H2WB H 0.3927 0.6347 -0.0249 0.065 Uiso 1 1 d R . .
O3 O -0.09043(16) 0.31576(5) 0.46746(11) 0.0242(3) Uani 1 1 d . . .
N3 N 0.8347(2) 0.58801(6) -0.10106(14) 0.0287(4) Uani 1 1 d . . .
H3B H 0.7559 0.6045 -0.1141 0.034 Uiso 1 1 calc R . .
C3 C 0.7344(4) 0.54519(9) 0.2454(2) 0.0449(7) Uani 1 1 d . . .
H3A H 0.7237 0.5759 0.2261 0.054 Uiso 1 1 calc R . .
O3W O 0.3952(2) 0.35148(7) 0.20725(15) 0.0502(5) Uani 1 1 d . . .
H3WA H 0.4562 0.3574 0.1617 0.060 Uiso 1 1 d R . .
H3WB H 0.4438 0.3588 0.2603 0.060 Uiso 1 1 d R . .
O4 O 0.96316(16) 0.38809(5) 0.42918(11) 0.0273(3) Uani 1 1 d . . .
N4 N 0.75254(19) 0.72037(6) 0.01645(13) 0.0249(4) Uani 1 1 d . . .
O4W O 1.1036(2) 0.32294(7) 0.25098(16) 0.0583(6) Uani 1 1 d . . .
H4WA H 1.1106 0.3003 0.2909 0.070 Uiso 1 1 d R . .
H4WB H 1.1952 0.3277 0.2375 0.070 Uiso 1 1 d R . .
O5 O 0.08867(18) 0.22819(6) 0.58801(12) 0.0328(4) Uani 1 1 d . . .
C5 C 0.7424(2) 0.46521(7) 0.20699(16) 0.0252(4) Uani 1 1 d . . .
H5A H 0.7398 0.4416 0.1603 0.030 Uiso 1 1 calc R . .
O6 O 0.1724(2) 0.22291(6) 0.74393(13) 0.0414(4) Uani 1 1 d . . .
C6 C 0.6937(3) 0.52396(8) 0.06882(17) 0.0307(5) Uani 1 1 d . . .
O7 O -0.39926(19) 0.25280(6) 0.86940(13) 0.0377(4) Uani 1 1 d . . .
C7 C 0.7252(2) 0.50922(7) -0.10795(15) 0.0249(4) Uani 1 1 d . . .
H7A H 0.6257 0.5237 -0.1152 0.030 Uiso 1 1 calc R . .
O8 O -0.4428(2) 0.32707(6) 0.88569(14) 0.0436(4) Uani 1 1 d . . .
C8 C 0.7216(3) 0.46430(8) -0.16635(17) 0.0335(5) Uani 1 1 d . . .
H8A H 0.8172 0.4484 -0.1565 0.040 Uiso 1 1 calc R . .
H8B H 0.6429 0.4445 -0.1419 0.040 Uiso 1 1 calc R . .
O9 O 0.6112(2) 0.55753(7) 0.05392(13) 0.0503(5) Uani 1 1 d . . .
C9 C 0.6927(3) 0.47301(9) -0.27644(19) 0.0418(6) Uani 1 1 d . . .
H9A H 0.6927 0.4439 -0.3118 0.050 Uiso 1 1 calc R . .
H9B H 0.5943 0.4871 -0.2869 0.050 Uiso 1 1 calc R . .
O10 O 1.0524(2) 0.58517(7) -0.00963(16) 0.0539(6) Uani 1 1 d . . .
C10 C 0.8118(4) 0.50416(10) -0.3166(2) 0.0502(7) Uani 1 1 d . . .
H10A H 0.7893 0.5102 -0.3862 0.060 Uiso 1 1 calc R . .
H10B H 0.9092 0.4890 -0.3111 0.060 Uiso 1 1 calc R . .
C11 C 0.8181(3) 0.54958(9) -0.25967(18) 0.0414(6) Uani 1 1 d . . .
H11A H 0.7247 0.5663 -0.2722 0.050 Uiso 1 1 calc R . .
H11B H 0.8999 0.5682 -0.2839 0.050 Uiso 1 1 calc R . .
C12 C 0.8417(3) 0.54262(7) -0.14807(16) 0.0273(5) Uani 1 1 d . . .
H12A H 0.9426 0.5297 -0.1353 0.033 Uiso 1 1 calc R . .
C13 C 0.9393(3) 0.60602(8) -0.04010(17) 0.0283(5) Uani 1 1 d . . .
C14 C 0.9154(2) 0.65621(7) -0.01417(16) 0.0251(4) Uani 1 1 d . . .
C15 C 1.0391(3) 0.68582(8) -0.01308(18) 0.0329(5) Uani 1 1 d . . .
H15A H 1.1357 0.6744 -0.0220 0.039 Uiso 1 1 calc R . .
C16 C 1.0163(3) 0.73218(9) 0.0013(2) 0.0374(6) Uani 1 1 d . . .
H16A H 1.0973 0.7525 0.0012 0.045 Uiso 1 1 calc R . .
C17 C 0.8727(3) 0.74843(8) 0.01588(19) 0.0329(5) Uani 1 1 d . . .
H17A H 0.8587 0.7799 0.0256 0.039 Uiso 1 1 calc R . .
C18 C 0.7745(2) 0.67485(7) 0.00199(16) 0.0256(4) Uani 1 1 d . . .
H18A H 0.6917 0.6552 0.0029 0.031 Uiso 1 1 calc R . .
C19 C 0.5529(2) 0.37804(7) 0.47374(17) 0.0267(5) Uani 1 1 d . . .
C20 C 0.4140(2) 0.36270(7) 0.52528(15) 0.0221(4) Uani 1 1 d . . .
C21 C 0.2746(2) 0.36178(7) 0.47580(15) 0.0223(4) Uani 1 1 d . . .
H21A H 0.2669 0.3699 0.4092 0.027 Uiso 1 1 calc R . .
C22 C 0.1463(2) 0.34878(7) 0.52522(15) 0.0192(4) Uani 1 1 d . . .
C23 C -0.0039(2) 0.35035(7) 0.47067(14) 0.0204(4) Uani 1 1 d . . .
C24 C 0.1569(2) 0.33572(7) 0.62474(15) 0.0198(4) Uani 1 1 d . . .
C25 C 0.2983(2) 0.33581(8) 0.67342(16) 0.0266(5) Uani 1 1 d . . .
H25A H 0.3074 0.3264 0.7392 0.032 Uiso 1 1 calc R . .
C26 C 0.4251(2) 0.34986(8) 0.62432(16) 0.0275(5) Uani 1 1 d . . .
H26A H 0.5182 0.3507 0.6579 0.033 Uiso 1 1 calc R . .
C27 C 0.0189(2) 0.32451(7) 0.68101(14) 0.0209(4) Uani 1 1 d . . .
C28 C -0.0781(2) 0.35936(7) 0.70868(17) 0.0266(5) Uani 1 1 d . . .
H28A H -0.0586 0.3897 0.6906 0.032 Uiso 1 1 calc R . .
C29 C -0.2036(2) 0.34954(7) 0.76284(16) 0.0261(4) Uani 1 1 d . . .
H29A H -0.2672 0.3733 0.7815 0.031 Uiso 1 1 calc R . .
C30 C -0.2351(2) 0.30462(7) 0.78942(15) 0.0224(4) Uani 1 1 d . . .
C31 C -0.3689(2) 0.29525(8) 0.85156(16) 0.0277(5) Uani 1 1 d . . .
C32 C -0.1385(2) 0.26949(7) 0.76229(16) 0.0248(4) Uani 1 1 d . . .
H32A H -0.1584 0.2392 0.7809 0.030 Uiso 1 1 calc R . .
C33 C -0.0125(2) 0.27910(7) 0.70765(15) 0.0212(4) Uani 1 1 d . . .
C34 C 0.0907(2) 0.24054(7) 0.67840(17) 0.0253(5) Uani 1 1 d . . .
C42 C 0.7282(3) 0.51051(7) 0.17495(17) 0.0283(5) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 O4 1.9719(15) . ?
Zn1 O1 1.9737(16) . ?
Zn1 O1W 1.9908(16) . ?
Zn1 N1 2.0493(18) . ?
Zn1 C19 2.575(2) . ?
O1 C19 1.275(3) . ?
N1 C1 1.340(3) . ?
N1 C5 1.344(3) . ?
C1 C2 1.374(4) . ?
Zn2 O7 1.9576(15) 4_665 ?
Zn2 O5 1.9571(16) . ?
Zn2 O3 2.0112(14) . ?
Zn2 N4 2.0335(17) 2_545 ?
O2 C19 1.223(3) . ?
N2 C6 1.329(3) . ?
N2 C7 1.463(3) . ?
C2 C3 1.367(4) . ?
O3 C23 1.262(2) . ?
N3 C13 1.326(3) . ?
N3 C12 1.462(3) . ?
C3 C42 1.383(3) . ?
O4 C23 1.259(2) 1_655 ?
N4 C17 1.341(3) . ?
N4 C18 1.348(3) . ?
N4 Zn2 2.0335(17) 2 ?
O5 C34 1.271(3) . ?
C5 C42 1.386(3) . ?
O6 C34 1.236(3) . ?
C6 O9 1.230(3) . ?
C6 C42 1.507(3) . ?
O7 C31 1.284(3) . ?
O7 Zn2 1.9576(15) 4_566 ?
C7 C8 1.522(3) . ?
C7 C12 1.528(3) . ?
O8 C31 1.230(3) . ?
C8 C9 1.521(3) . ?
C9 C10 1.504(4) . ?
O10 C13 1.231(3) . ?
C10 C11 1.524(4) . ?
C11 C12 1.528(3) . ?
C13 C14 1.512(3) . ?
C14 C18 1.385(3) . ?
C14 C15 1.393(3) . ?
C15 C16 1.373(3) . ?
C16 C17 1.378(3) . ?
C19 C20 1.502(3) . ?
C20 C21 1.386(3) . ?
C20 C26 1.389(3) . ?
C21 C22 1.391(3) . ?
C22 C24 1.396(3) . ?
C22 C23 1.501(3) . ?
C23 O4 1.259(2) 1_455 ?
C24 C25 1.397(3) . ?
C24 C27 1.498(3) . ?
C25 C26 1.385(3) . ?
C27 C28 1.386(3) . ?
C27 C33 1.394(3) . ?
C28 C29 1.382(3) . ?
C29 C30 1.381(3) . ?
C30 C32 1.387(3) . ?
C30 C31 1.501(3) . ?
C32 C33 1.388(3) . ?
C33 C34 1.505(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O4 Zn1 O1 133.89(7) . . ?
O4 Zn1 O1W 101.86(7) . . ?
O1 Zn1 O1W 105.39(7) . . ?
O4 Zn1 N1 100.96(7) . . ?
O1 Zn1 N1 108.65(8) . . ?
O1W Zn1 N1 102.10(7) . . ?
O4 Zn1 C19 109.10(7) . . ?
O1 Zn1 C19 28.89(7) . . ?
O1W Zn1 C19 132.20(7) . . ?
N1 Zn1 C19 106.54(7) . . ?
C19 O1 Zn1 102.71(14) . . ?
C1 N1 C5 118.6(2) . . ?
C1 N1 Zn1 118.65(16) . . ?
C5 N1 Zn1 122.69(15) . . ?
N1 C1 C2 122.4(2) . . ?
O7 Zn2 O5 100.44(7) 4_665 . ?
O7 Zn2 O3 96.18(6) 4_665 . ?
O5 Zn2 O3 116.92(6) . . ?
O7 Zn2 N4 130.35(8) 4_665 2_545 ?
O5 Zn2 N4 111.79(7) . 2_545 ?
O3 Zn2 N4 101.24(6) . 2_545 ?
C6 N2 C7 122.67(18) . . ?
C3 C2 C1 118.8(2) . . ?
C23 O3 Zn2 130.20(13) . . ?
C13 N3 C12 125.76(18) . . ?
C2 C3 C42 120.0(2) . . ?
C23 O4 Zn1 114.27(13) 1_655 . ?
C17 N4 C18 118.26(19) . . ?
C17 N4 Zn2 119.44(15) . 2 ?
C18 N4 Zn2 121.94(14) . 2 ?
C34 O5 Zn2 130.12(14) . . ?
N1 C5 C42 122.0(2) . . ?
O9 C6 N2 123.9(2) . . ?
O9 C6 C42 117.5(2) . . ?
N2 C6 C42 118.65(19) . . ?
C31 O7 Zn2 107.22(13) . 4_566 ?
N2 C7 C8 109.73(17) . . ?
N2 C7 C12 111.49(18) . . ?
C8 C7 C12 111.14(18) . . ?
C9 C8 C7 111.38(19) . . ?
C10 C9 C8 110.8(2) . . ?
C9 C10 C11 110.5(2) . . ?
C10 C11 C12 112.7(2) . . ?
N3 C12 C7 112.12(18) . . ?
N3 C12 C11 107.64(18) . . ?
C7 C12 C11 111.17(19) . . ?
O10 C13 N3 124.1(2) . . ?
O10 C13 C14 120.9(2) . . ?
N3 C13 C14 114.93(18) . . ?
C18 C14 C15 118.2(2) . . ?
C18 C14 C13 123.1(2) . . ?
C15 C14 C13 118.57(19) . . ?
C16 C15 C14 118.9(2) . . ?
C15 C16 C17 119.7(2) . . ?
N4 C17 C16 122.2(2) . . ?
N4 C18 C14 122.7(2) . . ?
O2 C19 O1 121.3(2) . . ?
O2 C19 C20 121.2(2) . . ?
O1 C19 C20 117.53(19) . . ?
O2 C19 Zn1 73.01(13) . . ?
O1 C19 Zn1 48.40(10) . . ?
C20 C19 Zn1 164.95(16) . . ?
C21 C20 C26 119.50(19) . . ?
C21 C20 C19 120.96(19) . . ?
C26 C20 C19 119.54(18) . . ?
C20 C21 C22 120.35(19) . . ?
C21 C22 C24 120.32(18) . . ?
C21 C22 C23 118.91(18) . . ?
C24 C22 C23 120.75(17) . . ?
O4 C23 O3 122.85(19) 1_455 . ?
O4 C23 C22 115.72(18) 1_455 . ?
O3 C23 C22 121.43(18) . . ?
C22 C24 C25 118.92(18) . . ?
C22 C24 C27 121.10(17) . . ?
C25 C24 C27 119.87(18) . . ?
C26 C25 C24 120.38(19) . . ?
C25 C26 C20 120.49(19) . . ?
C28 C27 C33 119.12(18) . . ?
C28 C27 C24 120.28(18) . . ?
C33 C27 C24 120.60(18) . . ?
C29 C28 C27 120.73(19) . . ?
C30 C29 C28 120.34(19) . . ?
C29 C30 C32 119.39(19) . . ?
C29 C30 C31 119.10(19) . . ?
C32 C30 C31 121.43(19) . . ?
O8 C31 O7 122.0(2) . . ?
O8 C31 C30 121.0(2) . . ?
O7 C31 C30 116.95(19) . . ?
C30 C32 C33 120.56(19) . . ?
C32 C33 C27 119.84(18) . . ?
C32 C33 C34 119.87(18) . . ?
C27 C33 C34 120.28(18) . . ?
O6 C34 O5 124.1(2) . . ?
O6 C34 C33 117.8(2) . . ?
O5 C34 C33 118.13(19) . . ?
C3 C42 C5 118.2(2) . . ?
C3 C42 C6 117.9(2) . . ?
C5 C42 C6 123.7(2) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        28.29
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.488
_refine_diff_density_min         -0.551
_refine_diff_density_rms         0.063



