# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2012


data_global
_journal_name_full               'Dalton Trans.'
_journal_coden_cambridge         0222
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_contact_author_name        'Dagorne Samuel'
_publ_contact_author_email       dagorne@unistra.fr
_publ_author_name                'Dagorne Samuel'

data_rwcr111010
_database_code_depnum_ccdc_archive 'CCDC 856121'
#TrackingRef '8430_web_deposit_cif_file_0_DagorneSamuel_1322646531.rwcr111010.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H38 N2 Zn'
_chemical_formula_sum            'C34 H38 N2 Zn'
_chemical_formula_weight         540.03

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'
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/c '
_symmetry_space_group_name_Hall  '-P 2ybc '

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

_cell_length_a                   8.4247(4)
_cell_length_b                   19.9572(9)
_cell_length_c                   17.2470(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.9430(10)
_cell_angle_gamma                90.00
_cell_volume                     2896.0(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9014
_cell_measurement_theta_min      2.58
_cell_measurement_theta_max      29.69

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.239
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1144
_exptl_absorpt_coefficient_mu    0.872
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7217
_exptl_absorpt_correction_T_max  0.8731
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  triumph
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            25582
_diffrn_reflns_av_R_equivalents  0.0321
_diffrn_reflns_av_sigmaI/netI    0.0340
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.04
_diffrn_reflns_theta_max         30.01
_reflns_number_total             8444
_reflns_number_gt                6334
_reflns_threshold_expression     I>2\s(I)

_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-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2\s(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ 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/[\s^2^(Fo^2^)+(0.0718P)^2^+1.2288P] where P=(Fo^2^+2Fc^2^)/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         8444
_refine_ls_number_parameters     342
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0693
_refine_ls_R_factor_gt           0.0464
_refine_ls_wR_factor_ref         0.1337
_refine_ls_wR_factor_gt          0.1201
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.5141(2) 0.27982(9) 0.52466(10) 0.0238(3) Uani 1 1 d . . .
C2 C 0.6038(2) 0.26161(10) 0.45705(11) 0.0267(4) Uani 1 1 d . . .
C3 C 0.6130(3) 0.20528(11) 0.41126(12) 0.0355(5) Uani 1 1 d . . .
H3 H 0.5480 0.1673 0.4197 0.043 Uiso 1 1 calc R . .
C4 C 0.7219(3) 0.20535(13) 0.35104(14) 0.0445(6) Uani 1 1 d . . .
H4 H 0.7289 0.1667 0.3192 0.053 Uiso 1 1 calc R . .
C5 C 0.8165(3) 0.25894(15) 0.33746(13) 0.0464(6) Uani 1 1 d . . .
H5 H 0.8870 0.2569 0.2963 0.056 Uiso 1 1 calc R . .
C6 C 0.8121(3) 0.31801(13) 0.38375(12) 0.0363(5) Uani 1 1 d . . .
C7 C 0.7044(2) 0.31695(10) 0.44313(11) 0.0279(4) Uani 1 1 d . . .
C8 C 0.6840(2) 0.37080(10) 0.49455(11) 0.0255(4) Uani 1 1 d . . .
C9 C 0.7730(2) 0.42773(11) 0.48627(13) 0.0333(4) Uani 1 1 d . . .
H9 H 0.7612 0.4650 0.5198 0.040 Uiso 1 1 calc R . .
C10 C 0.8823(3) 0.42987(13) 0.42696(14) 0.0432(5) Uani 1 1 d . . .
H10 H 0.9440 0.4692 0.4213 0.052 Uiso 1 1 calc R . .
C11 C 0.9028(3) 0.37750(14) 0.37734(14) 0.0458(6) Uani 1 1 d . . .
H11 H 0.9781 0.3810 0.3384 0.055 Uiso 1 1 calc R . .
C12 C 0.5487(2) 0.35390(9) 0.54624(10) 0.0235(3) Uani 1 1 d . . .
C13 C 0.4019(2) 0.39702(10) 0.51783(13) 0.0323(4) Uani 1 1 d . . .
H13A H 0.3106 0.3836 0.5482 0.039 Uiso 1 1 calc R . .
H13B H 0.4258 0.4444 0.5305 0.039 Uiso 1 1 calc R . .
C14 C 0.3506(3) 0.39323(14) 0.43307(16) 0.0532(6) Uani 1 1 d . . .
H14A H 0.4369 0.4092 0.4018 0.080 Uiso 1 1 calc R . .
H14B H 0.2564 0.4213 0.4230 0.080 Uiso 1 1 calc R . .
H14C H 0.3250 0.3467 0.4192 0.080 Uiso 1 1 calc R . .
C15 C 0.3873(2) 0.17718(10) 0.55476(11) 0.0282(4) Uani 1 1 d . . .
C16 C 0.4840(3) 0.12756(10) 0.58914(13) 0.0337(4) Uani 1 1 d . . .
C17 C 0.4355(3) 0.06117(11) 0.58081(14) 0.0398(5) Uani 1 1 d . . .
H17 H 0.5004 0.0268 0.6037 0.048 Uiso 1 1 calc R . .
C18 C 0.2954(3) 0.04355(11) 0.54008(15) 0.0409(5) Uani 1 1 d . . .
C19 C 0.2037(3) 0.09384(11) 0.50630(14) 0.0398(5) Uani 1 1 d . . .
H19 H 0.1083 0.0823 0.4776 0.048 Uiso 1 1 calc R . .
C20 C 0.2463(3) 0.16111(11) 0.51290(13) 0.0334(4) Uani 1 1 d . . .
C21 C 0.6361(3) 0.14521(13) 0.63453(17) 0.0489(6) Uani 1 1 d . . .
H21A H 0.6850 0.1043 0.6563 0.073 Uiso 1 1 calc R . .
H21B H 0.6126 0.1759 0.6768 0.073 Uiso 1 1 calc R . .
H21C H 0.7094 0.1669 0.6000 0.073 Uiso 1 1 calc R . .
C22 C 0.2424(4) -0.02921(12) 0.5355(2) 0.0572(7) Uani 1 1 d . . .
H22A H 0.1826 -0.0402 0.5811 0.086 Uiso 1 1 calc R . .
H22B H 0.3359 -0.0583 0.5341 0.086 Uiso 1 1 calc R . .
H22C H 0.1746 -0.0360 0.4883 0.086 Uiso 1 1 calc R . .
C23 C 0.1409(3) 0.21478(13) 0.47634(17) 0.0476(6) Uani 1 1 d . . .
H23A H 0.1240 0.2501 0.5145 0.071 Uiso 1 1 calc R . .
H23B H 0.0383 0.1952 0.4593 0.071 Uiso 1 1 calc R . .
H23C H 0.1918 0.2339 0.4315 0.071 Uiso 1 1 calc R . .
C24 C 0.6895(2) 0.39904(9) 0.66707(10) 0.0252(4) Uani 1 1 d . . .
C25 C 0.8517(2) 0.38039(10) 0.66997(11) 0.0298(4) Uani 1 1 d . . .
C26 C 0.9637(3) 0.42001(12) 0.71066(13) 0.0373(5) Uani 1 1 d . . .
H26 H 1.0725 0.4075 0.7112 0.045 Uiso 1 1 calc R . .
C27 C 0.9216(3) 0.47707(12) 0.75042(13) 0.0393(5) Uani 1 1 d . . .
C28 C 0.7623(3) 0.49432(11) 0.74837(13) 0.0392(5) Uani 1 1 d . . .
H28 H 0.7312 0.5332 0.7754 0.047 Uiso 1 1 calc R . .
C29 C 0.6458(3) 0.45657(11) 0.70793(12) 0.0335(4) Uani 1 1 d . . .
C30 C 0.9054(3) 0.31618(13) 0.63353(15) 0.0455(6) Uani 1 1 d . . .
H30A H 0.9264 0.3243 0.5789 0.068 Uiso 1 1 calc R . .
H30B H 0.8221 0.2822 0.6368 0.068 Uiso 1 1 calc R . .
H30C H 1.0028 0.3003 0.6612 0.068 Uiso 1 1 calc R . .
C31 C 1.0449(3) 0.51743(16) 0.79705(17) 0.0555(7) Uani 1 1 d . . .
H31A H 1.0959 0.4890 0.8374 0.083 Uiso 1 1 calc R . .
H31B H 0.9934 0.5555 0.8213 0.083 Uiso 1 1 calc R . .
H31C H 1.1252 0.5339 0.7626 0.083 Uiso 1 1 calc R . .
C32 C 0.4740(3) 0.47666(15) 0.71162(18) 0.0548(7) Uani 1 1 d . . .
H32A H 0.4167 0.4424 0.7397 0.082 Uiso 1 1 calc R . .
H32B H 0.4263 0.4810 0.6588 0.082 Uiso 1 1 calc R . .
H32C H 0.4671 0.5197 0.7387 0.082 Uiso 1 1 calc R . .
C33 C 0.3036(3) 0.26329(15) 0.76113(14) 0.0498(6) Uani 1 1 d . . .
H33A H 0.3688 0.2614 0.8105 0.060 Uiso 1 1 calc R . .
H33B H 0.2129 0.2936 0.7689 0.060 Uiso 1 1 calc R . .
C34 C 0.2402(5) 0.19339(17) 0.7419(3) 0.0826(12) Uani 1 1 d . . .
H34A H 0.1719 0.1952 0.6942 0.124 Uiso 1 1 calc R . .
H34B H 0.1785 0.1771 0.7847 0.124 Uiso 1 1 calc R . .
H34C H 0.3293 0.1629 0.7344 0.124 Uiso 1 1 calc R . .
N1 N 0.42617(19) 0.24623(8) 0.56874(9) 0.0266(3) Uani 1 1 d . . .
N2 N 0.5717(2) 0.35722(9) 0.63079(9) 0.0288(3) Uani 1 1 d . . .
Zn1 Zn 0.43176(3) 0.300453(13) 0.680705(14) 0.03255(9) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1 0.0234(8) 0.0243(8) 0.0232(8) 0.0005(7) -0.0028(6) 0.0050(6)
C2 0.0267(9) 0.0306(9) 0.0222(8) 0.0001(7) -0.0026(7) 0.0072(7)
C3 0.0404(12) 0.0369(11) 0.0286(10) -0.0054(8) -0.0035(8) 0.0095(9)
C4 0.0470(13) 0.0549(15) 0.0312(11) -0.0142(10) -0.0015(9) 0.0175(11)
C5 0.0421(13) 0.0694(17) 0.0282(11) -0.0068(11) 0.0062(9) 0.0172(12)
C6 0.0294(10) 0.0544(13) 0.0254(9) 0.0048(9) 0.0036(8) 0.0100(9)
C7 0.0249(9) 0.0368(10) 0.0219(8) 0.0033(7) -0.0005(7) 0.0074(7)
C8 0.0229(8) 0.0300(9) 0.0234(8) 0.0041(7) 0.0004(6) 0.0034(7)
C9 0.0284(10) 0.0349(10) 0.0367(11) 0.0075(8) 0.0026(8) -0.0005(8)
C10 0.0324(11) 0.0513(14) 0.0464(13) 0.0147(11) 0.0081(9) -0.0059(10)
C11 0.0323(11) 0.0673(17) 0.0390(12) 0.0133(11) 0.0136(9) 0.0043(11)
C12 0.0230(8) 0.0241(8) 0.0235(8) 0.0002(7) 0.0026(6) 0.0014(7)
C13 0.0280(10) 0.0272(9) 0.0414(11) 0.0027(8) 0.0001(8) 0.0058(7)
C14 0.0521(15) 0.0498(15) 0.0564(16) 0.0067(12) -0.0097(12) 0.0085(12)
C15 0.0301(9) 0.0248(9) 0.0298(9) 0.0000(7) 0.0037(7) -0.0018(7)
C16 0.0328(10) 0.0279(10) 0.0403(11) 0.0035(8) 0.0005(8) 0.0004(8)
C17 0.0418(12) 0.0273(10) 0.0509(13) 0.0047(9) 0.0079(10) 0.0023(9)
C18 0.0436(12) 0.0283(10) 0.0521(14) -0.0050(9) 0.0157(10) -0.0075(9)
C19 0.0363(11) 0.0380(12) 0.0451(12) -0.0082(10) 0.0027(9) -0.0104(9)
C20 0.0328(10) 0.0324(10) 0.0350(11) -0.0027(8) 0.0015(8) -0.0028(8)
C21 0.0421(13) 0.0372(12) 0.0656(17) 0.0068(11) -0.0162(12) 0.0037(10)
C22 0.0629(17) 0.0296(12) 0.081(2) -0.0085(12) 0.0233(15) -0.0149(11)
C23 0.0418(13) 0.0467(14) 0.0525(15) -0.0002(11) -0.0147(11) 0.0007(10)
C24 0.0270(9) 0.0266(9) 0.0220(8) -0.0001(7) 0.0022(7) -0.0032(7)
C25 0.0294(10) 0.0346(10) 0.0254(9) 0.0022(8) 0.0004(7) 0.0021(8)
C26 0.0264(10) 0.0509(13) 0.0344(11) 0.0018(9) -0.0009(8) -0.0039(9)
C27 0.0412(12) 0.0448(12) 0.0315(10) 0.0008(9) -0.0020(9) -0.0170(10)
C28 0.0482(13) 0.0336(11) 0.0358(11) -0.0101(9) 0.0027(9) -0.0067(9)
C29 0.0333(10) 0.0342(10) 0.0333(10) -0.0058(8) 0.0043(8) -0.0010(8)
C30 0.0432(13) 0.0480(14) 0.0445(13) -0.0081(10) -0.0073(10) 0.0200(10)
C31 0.0531(16) 0.0642(18) 0.0482(14) -0.0040(13) -0.0073(12) -0.0266(13)
C32 0.0422(14) 0.0587(17) 0.0635(17) -0.0272(14) 0.0039(12) 0.0111(12)
C33 0.0400(13) 0.0779(19) 0.0319(11) 0.0096(12) 0.0049(9) -0.0169(12)
C34 0.091(3) 0.062(2) 0.100(3) 0.0198(18) 0.051(2) -0.0113(18)
N1 0.0289(8) 0.0237(7) 0.0269(8) 0.0002(6) -0.0004(6) -0.0005(6)
N2 0.0303(8) 0.0331(9) 0.0230(7) -0.0033(6) 0.0025(6) -0.0079(7)
Zn1 0.03146(14) 0.03958(15) 0.02701(13) 0.00132(10) 0.00520(9) -0.00836(10)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.278(2) . ?
C1 C2 1.467(3) . ?
C1 C12 1.549(3) . ?
C2 C3 1.378(3) . ?
C2 C7 1.420(3) . ?
C3 C4 1.421(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.362(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.425(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.403(3) . ?
C6 C11 1.419(4) . ?
C7 C8 1.410(3) . ?
C8 C9 1.373(3) . ?
C8 C12 1.520(3) . ?
C9 C10 1.412(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.367(4) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 N2 1.462(2) . ?
C12 C13 1.565(3) . ?
C13 C14 1.505(3) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.395(3) . ?
C15 C20 1.395(3) . ?
C15 N1 1.434(2) . ?
C16 C17 1.392(3) . ?
C16 C21 1.508(3) . ?
C17 C18 1.387(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.378(3) . ?
C18 C22 1.520(3) . ?
C19 C20 1.393(3) . ?
C19 H19 0.9500 . ?
C20 C23 1.509(3) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C29 1.406(3) . ?
C24 C25 1.414(3) . ?
C24 N2 1.418(2) . ?
C25 C26 1.393(3) . ?
C25 C30 1.507(3) . ?
C26 C27 1.385(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.384(3) . ?
C27 C31 1.513(3) . ?
C28 C29 1.395(3) . ?
C28 H28 0.9500 . ?
C29 C32 1.507(3) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.524(5) . ?
C33 Zn1 1.947(2) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
N1 Zn1 2.2120(16) . ?
N2 Zn1 1.8756(16) . ?

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
N1 C1 C2 132.89(18) . . ?
N1 C1 C12 117.73(16) . . ?
C2 C1 C12 109.22(16) . . ?
C3 C2 C7 119.08(19) . . ?
C3 C2 C1 134.7(2) . . ?
C7 C2 C1 106.13(16) . . ?
C2 C3 C4 118.4(2) . . ?
C2 C3 H3 120.8 . . ?
C4 C3 H3 120.8 . . ?
C5 C4 C3 122.2(2) . . ?
C5 C4 H4 118.9 . . ?
C3 C4 H4 118.9 . . ?
C4 C5 C6 121.4(2) . . ?
C4 C5 H5 119.3 . . ?
C6 C5 H5 119.3 . . ?
C7 C6 C11 116.1(2) . . ?
C7 C6 C5 115.7(2) . . ?
C11 C6 C5 128.2(2) . . ?
C6 C7 C8 123.5(2) . . ?
C6 C7 C2 123.3(2) . . ?
C8 C7 C2 113.17(17) . . ?
C9 C8 C7 118.73(18) . . ?
C9 C8 C12 132.41(18) . . ?
C7 C8 C12 108.61(16) . . ?
C8 C9 C10 118.7(2) . . ?
C8 C9 H9 120.6 . . ?
C10 C9 H9 120.6 . . ?
C11 C10 C9 122.6(2) . . ?
C11 C10 H10 118.7 . . ?
C9 C10 H10 118.7 . . ?
C10 C11 C6 120.3(2) . . ?
C10 C11 H11 119.8 . . ?
C6 C11 H11 119.8 . . ?
N2 C12 C8 120.67(15) . . ?
N2 C12 C1 107.25(14) . . ?
C8 C12 C1 102.02(15) . . ?
N2 C12 C13 110.43(15) . . ?
C8 C12 C13 107.37(15) . . ?
C1 C12 C13 108.29(15) . . ?
C14 C13 C12 117.38(19) . . ?
C14 C13 H13A 108.0 . . ?
C12 C13 H13A 108.0 . . ?
C14 C13 H13B 108.0 . . ?
C12 C13 H13B 108.0 . . ?
H13A C13 H13B 107.2 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C20 121.30(19) . . ?
C16 C15 N1 119.18(18) . . ?
C20 C15 N1 119.26(18) . . ?
C17 C16 C15 118.0(2) . . ?
C17 C16 C21 120.9(2) . . ?
C15 C16 C21 121.10(19) . . ?
C18 C17 C16 122.1(2) . . ?
C18 C17 H17 119.0 . . ?
C16 C17 H17 119.0 . . ?
C19 C18 C17 118.3(2) . . ?
C19 C18 C22 121.1(2) . . ?
C17 C18 C22 120.6(2) . . ?
C18 C19 C20 122.1(2) . . ?
C18 C19 H19 119.0 . . ?
C20 C19 H19 119.0 . . ?
C19 C20 C15 118.2(2) . . ?
C19 C20 C23 120.4(2) . . ?
C15 C20 C23 121.35(19) . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C18 C22 H22A 109.5 . . ?
C18 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C18 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C29 C24 C25 118.33(18) . . ?
C29 C24 N2 120.41(17) . . ?
C25 C24 N2 120.94(17) . . ?
C26 C25 C24 119.78(19) . . ?
C26 C25 C30 118.8(2) . . ?
C24 C25 C30 121.30(19) . . ?
C27 C26 C25 122.1(2) . . ?
C27 C26 H26 118.9 . . ?
C25 C26 H26 118.9 . . ?
C28 C27 C26 117.7(2) . . ?
C28 C27 C31 121.3(2) . . ?
C26 C27 C31 121.0(2) . . ?
C27 C28 C29 122.3(2) . . ?
C27 C28 H28 118.8 . . ?
C29 C28 H28 118.8 . . ?
C28 C29 C24 119.7(2) . . ?
C28 C29 C32 119.2(2) . . ?
C24 C29 C32 121.0(2) . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C27 C31 H31A 109.5 . . ?
C27 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C27 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 Zn1 113.2(2) . . ?
C34 C33 H33A 108.9 . . ?
Zn1 C33 H33A 108.9 . . ?
C34 C33 H33B 108.9 . . ?
Zn1 C33 H33B 108.9 . . ?
H33A C33 H33B 107.7 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C1 N1 C15 122.56(16) . . ?
C1 N1 Zn1 106.00(12) . . ?
C15 N1 Zn1 127.68(12) . . ?
C24 N2 C12 121.35(15) . . ?
C24 N2 Zn1 126.54(12) . . ?
C12 N2 Zn1 112.11(12) . . ?
N2 Zn1 C33 160.26(10) . . ?
N2 Zn1 N1 83.13(6) . . ?
C33 Zn1 N1 116.60(9) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 C3 8.7(4) . . . . ?
C12 C1 C2 C3 -176.0(2) . . . . ?
N1 C1 C2 C7 -168.0(2) . . . . ?
C12 C1 C2 C7 7.19(19) . . . . ?
C7 C2 C3 C4 -0.8(3) . . . . ?
C1 C2 C3 C4 -177.3(2) . . . . ?
C2 C3 C4 C5 0.0(3) . . . . ?
C3 C4 C5 C6 0.5(4) . . . . ?
C4 C5 C6 C7 -0.2(3) . . . . ?
C4 C5 C6 C11 179.7(2) . . . . ?
C11 C6 C7 C8 0.0(3) . . . . ?
C5 C6 C7 C8 179.96(19) . . . . ?
C11 C6 C7 C2 179.46(19) . . . . ?
C5 C6 C7 C2 -0.6(3) . . . . ?
C3 C2 C7 C6 1.1(3) . . . . ?
C1 C2 C7 C6 178.51(18) . . . . ?
C3 C2 C7 C8 -179.37(17) . . . . ?
C1 C2 C7 C8 -2.0(2) . . . . ?
C6 C7 C8 C9 0.4(3) . . . . ?
C2 C7 C8 C9 -179.06(17) . . . . ?
C6 C7 C8 C12 175.40(17) . . . . ?
C2 C7 C8 C12 -4.1(2) . . . . ?
C7 C8 C9 C10 -0.5(3) . . . . ?
C12 C8 C9 C10 -174.0(2) . . . . ?
C8 C9 C10 C11 0.1(3) . . . . ?
C9 C10 C11 C6 0.3(4) . . . . ?
C7 C6 C11 C10 -0.4(3) . . . . ?
C5 C6 C11 C10 179.7(2) . . . . ?
C9 C8 C12 N2 -59.5(3) . . . . ?
C7 C8 C12 N2 126.51(18) . . . . ?
C9 C8 C12 C1 -178.1(2) . . . . ?
C7 C8 C12 C1 7.90(19) . . . . ?
C9 C8 C12 C13 68.2(3) . . . . ?
C7 C8 C12 C13 -105.85(17) . . . . ?
N1 C1 C12 N2 39.1(2) . . . . ?
C2 C1 C12 N2 -136.95(15) . . . . ?
N1 C1 C12 C8 166.84(16) . . . . ?
C2 C1 C12 C8 -9.19(18) . . . . ?
N1 C1 C12 C13 -80.1(2) . . . . ?
C2 C1 C12 C13 103.87(17) . . . . ?
N2 C12 C13 C14 -173.52(19) . . . . ?
C8 C12 C13 C14 53.1(2) . . . . ?
C1 C12 C13 C14 -56.4(2) . . . . ?
C20 C15 C16 C17 -0.3(3) . . . . ?
N1 C15 C16 C17 173.95(19) . . . . ?
C20 C15 C16 C21 -179.8(2) . . . . ?
N1 C15 C16 C21 -5.6(3) . . . . ?
C15 C16 C17 C18 -0.3(3) . . . . ?
C21 C16 C17 C18 179.3(2) . . . . ?
C16 C17 C18 C19 0.8(4) . . . . ?
C16 C17 C18 C22 -177.1(2) . . . . ?
C17 C18 C19 C20 -1.0(4) . . . . ?
C22 C18 C19 C20 176.9(2) . . . . ?
C18 C19 C20 C15 0.5(3) . . . . ?
C18 C19 C20 C23 -178.8(2) . . . . ?
C16 C15 C20 C19 0.1(3) . . . . ?
N1 C15 C20 C19 -174.05(19) . . . . ?
C16 C15 C20 C23 179.4(2) . . . . ?
N1 C15 C20 C23 5.2(3) . . . . ?
C29 C24 C25 C26 -2.0(3) . . . . ?
N2 C24 C25 C26 -175.48(18) . . . . ?
C29 C24 C25 C30 174.6(2) . . . . ?
N2 C24 C25 C30 1.1(3) . . . . ?
C24 C25 C26 C27 1.4(3) . . . . ?
C30 C25 C26 C27 -175.2(2) . . . . ?
C25 C26 C27 C28 -0.3(3) . . . . ?
C25 C26 C27 C31 177.3(2) . . . . ?
C26 C27 C28 C29 -0.2(3) . . . . ?
C31 C27 C28 C29 -177.8(2) . . . . ?
C27 C28 C29 C24 -0.4(3) . . . . ?
C27 C28 C29 C32 177.0(2) . . . . ?
C25 C24 C29 C28 1.5(3) . . . . ?
N2 C24 C29 C28 175.03(19) . . . . ?
C25 C24 C29 C32 -175.9(2) . . . . ?
N2 C24 C29 C32 -2.4(3) . . . . ?
C2 C1 N1 C15 -4.6(3) . . . . ?
C12 C1 N1 C15 -179.48(16) . . . . ?
C2 C1 N1 Zn1 155.06(18) . . . . ?
C12 C1 N1 Zn1 -19.83(18) . . . . ?
C16 C15 N1 C1 91.5(2) . . . . ?
C20 C15 N1 C1 -94.2(2) . . . . ?
C16 C15 N1 Zn1 -63.6(2) . . . . ?
C20 C15 N1 Zn1 110.76(19) . . . . ?
C29 C24 N2 C12 109.7(2) . . . . ?
C25 C24 N2 C12 -76.9(2) . . . . ?
C29 C24 N2 Zn1 -71.0(2) . . . . ?
C25 C24 N2 Zn1 102.3(2) . . . . ?
C8 C12 N2 C24 24.9(3) . . . . ?
C1 C12 N2 C24 140.87(17) . . . . ?
C13 C12 N2 C24 -101.3(2) . . . . ?
C8 C12 N2 Zn1 -154.42(14) . . . . ?
C1 C12 N2 Zn1 -38.46(17) . . . . ?
C13 C12 N2 Zn1 79.33(17) . . . . ?
C24 N2 Zn1 C33 23.3(4) . . . . ?
C12 N2 Zn1 C33 -157.5(3) . . . . ?
C24 N2 Zn1 N1 -155.76(17) . . . . ?
C12 N2 Zn1 N1 23.52(13) . . . . ?
C34 C33 Zn1 N2 -167.7(3) . . . . ?
C34 C33 Zn1 N1 11.3(3) . . . . ?
C1 N1 Zn1 N2 -1.92(13) . . . . ?
C15 N1 Zn1 N2 156.36(16) . . . . ?
C1 N1 Zn1 C33 178.45(14) . . . . ?
C15 N1 Zn1 C33 -23.3(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        30.01
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.162
_refine_diff_density_min         -0.535
_refine_diff_density_rms         0.068