# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A
# This journal is © The Royal Society of Chemistry 2013


#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication 
#  deposited with the CCDC, and may include chemical, crystal,   
#  experimental, refinement, atomic coordinates, 
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted. 
# 
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material 
#  of the CCDC or of third parties, and may not be copied or further 
#  disseminated in any form, whether machine-readable or not,  
#  except for the purpose of generating routine backup copies 
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and 
#  data retrieval see:
#                         www.ccdc.cam.ac.uk 
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively. 
#
####################################################################### 

data_2
_database_code_depnum_ccdc_archive 'CCDC 919637'
#TrackingRef 'compound1.cif'
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H60 N18 O42 P10 Zn9'
_chemical_formula_weight         2531.23
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   P63
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
_cell_length_a                   15.6464(4)
_cell_length_b                   15.6464(4)
_cell_length_c                   19.7878(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     4195.2(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    3631
_cell_measurement_theta_min      6.53
_cell_measurement_theta_max      66.56
_exptl_crystal_description       NEEDLE-LIKE
_exptl_crystal_colour            YELLOW
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.004
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2532
_exptl_absorpt_coefficient_mu    5.539
_exptl_absorpt_correction_type   NONE
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_special_details           
;
?
;
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18136
_diffrn_reflns_av_R_equivalents  0.0396
_diffrn_reflns_av_sigmaI/netI    0.0249
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         6.53
_diffrn_reflns_theta_max         66.56
_reflns_number_total             3631
_reflns_number_gt                3321
_reflns_threshold_expression     >2sigma(I)
_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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^ > 2sigma(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^)+(0.1977P)^2^+8.6231P] 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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.14(9)
_chemical_absolute_configuration syn
_refine_ls_number_reflns         3631
_refine_ls_number_parameters     371
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0997
_refine_ls_R_factor_gt           0.0951
_refine_ls_wR_factor_ref         0.2727
_refine_ls_wR_factor_gt          0.2637
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_restrained_S_all      1.071
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.57719(13) 0.10549(12) 0.15553(14) 0.0771(7) Uani 1 1 d . . .
Zn2 Zn 0.45628(12) -0.16047(13) 0.3211(3) 0.1290(16) Uani 1 1 d U . .
Zn3 Zn 0.52834(13) 0.10709(12) 0.44020(16) 0.0793(7) Uani 1 1 d U . .
N1 N 0.6932(8) 0.0787(7) 0.1487(8) 0.068(3) Uani 1 1 d . . .
N2 N 0.6053(7) -0.1080(8) 0.3190(12) 0.095(6) Uani 1 1 d U . .
N3 N 0.3858(8) 0.0750(8) 0.4670(7) 0.066(3) Uani 1 1 d . . .
N4 N 0.9056(7) -0.0750(7) 0.1503(5) 0.054(2) Uani 1 1 d . . .
N5 N 0.9731(5) 0.0717(5) 0.3188(4) 0.0401(17) Uani 1 1 d . . .
N6 N 0.0195(8) -0.0771(8) 0.4819(6) 0.060(3) Uani 1 1 d . . .
C1 C 0.6738(9) -0.0173(10) 0.1514(9) 0.074(4) Uani 1 1 d . . .
H1A H 0.6092 -0.0693 0.1542 0.089 Uiso 1 1 calc R . .
C2 C 0.7468(10) -0.0342(9) 0.1499(8) 0.063(3) Uani 1 1 d . . .
H2A H 0.7320 -0.0996 0.1482 0.075 Uiso 1 1 calc R . .
C3 C 0.7864(9) 0.1542(9) 0.1513(9) 0.066(3) Uani 1 1 d . . .
H3A H 0.7982 0.2186 0.1520 0.079 Uiso 1 1 calc R . .
C4 C 0.8631(9) 0.1377(9) 0.1528(9) 0.064(3) Uani 1 1 d . . .
H4A H 0.9274 0.1906 0.1552 0.077 Uiso 1 1 calc R . .
C5 C 0.8454(9) 0.0385(8) 0.1507(8) 0.057(2) Uani 1 1 d . . .
C6 C 0.9275(9) 0.0203(8) 0.1530(6) 0.050(2) Uani 1 1 d . . .
C7 C 0.6318(9) -0.1783(8) 0.3107(10) 0.073(4) Uani 1 1 d . . .
H7A H 0.5837 -0.2441 0.3050 0.088 Uiso 1 1 calc R . .
C8 C 0.7274(7) -0.1518(8) 0.3107(8) 0.062(3) Uani 1 1 d . . .
H8A H 0.7445 -0.2005 0.3059 0.074 Uiso 1 1 calc R . .
C9 C 0.6730(7) -0.0133(8) 0.3257(10) 0.070(4) Uani 1 1 d . . .
H9A H 0.6533 0.0336 0.3290 0.084 Uiso 1 1 calc R . .
C10 C 0.7744(6) 0.0171(7) 0.3277(6) 0.047(2) Uani 1 1 d . . .
H10A H 0.8217 0.0826 0.3356 0.056 Uiso 1 1 calc R . .
C11 C 0.8012(7) -0.0553(7) 0.3175(7) 0.049(2) Uani 1 1 d . . .
C12 C 0.9059(6) -0.0257(6) 0.3183(5) 0.0348(17) Uani 1 1 d . . .
C13 C 0.3099(13) -0.0193(13) 0.4681(9) 0.075(4) Uani 1 1 d . . .
H13A H 0.3230 -0.0708 0.4629 0.090 Uiso 1 1 calc R . .
C14 C 0.2129(11) -0.0408(10) 0.4767(8) 0.065(3) Uani 1 1 d . . .
H14A H 0.1619 -0.1057 0.4812 0.078 Uiso 1 1 calc R . .
C15 C 0.3664(12) 0.1467(10) 0.4722(8) 0.069(3) Uani 1 1 d . . .
H15A H 0.4187 0.2113 0.4736 0.083 Uiso 1 1 calc R . .
C16 C 0.2710(11) 0.1304(10) 0.4758(7) 0.065(3) Uani 1 1 d . . .
H16A H 0.2589 0.1829 0.4765 0.079 Uiso 1 1 calc R . .
C17 C 0.1949(8) 0.0347(9) 0.4782(6) 0.051(2) Uani 1 1 d . . .
C18 C 0.0896(11) 0.0161(11) 0.4826(6) 0.066(4) Uani 1 1 d . . .
P1 P 0.6667 0.3333 0.1569(7) 0.096(2) Uani 1 3 d SD . .
H1 H 0.6667 0.3333 0.2251(13) 0.144 Uiso 1 3 d SD . .
P2 P 0.6667 0.3333 0.4735(7) 0.106(2) Uani 1 3 d SD . .
H2 H 0.6667 0.3333 0.4052 0.160 Uiso 1 3 d SRD . .
P3 P 0.3333 -0.3333 0.4275(5) 0.090(2) Uani 1 3 d SD . .
H3 H 0.3333 -0.3333 0.3508 0.135 Uiso 1 3 d SRD . .
P4 P 0.3333 -0.3333 0.2260(7) 0.111(2) Uani 1 3 d SD . .
H4 H 0.3333 -0.3333 0.1577 0.167 Uiso 1 3 d SRD . .
P5 P 0.4636(2) 0.0326(2) 0.2953(4) 0.0916(15) Uani 1 1 d . . .
P6 P 0.4322(3) 0.0354(4) 0.0289(3) 0.0879(12) Uani 1 1 d . . .
O1 O 0.5941(8) 0.2354(8) 0.1725(10) 0.096(2) Uani 1 1 d . . .
O2 O 0.6328(8) 0.2281(7) 0.4766(10) 0.106(2) Uani 1 1 d U . .
O3 O 0.4181(11) -0.2370(9) 0.4040(12) 0.118(5) Uani 1 1 d . . .
O4 O 0.4315(13) -0.2505(12) 0.2391(11) 0.111(2) Uani 1 1 d . . .
O5 O 0.5467(9) 0.1070(11) 0.3468(9) 0.099(4) Uani 1 1 d . . .
O6 O 0.4090(8) -0.0676(9) 0.3320(14) 0.138(8) Uani 1 1 d . . .
O7 O 0.3841(7) 0.0662(8) 0.2938(11) 0.111(6) Uani 1 1 d . . .
O8 O 0.4969(7) 0.0229(7) 0.2342(9) 0.0916(15) Uani 1 1 d . . .
O9 O 0.5140(10) 0.0504(10) 0.0731(7) 0.0879(12) Uani 1 1 d . . .
O10 O 0.414(2) -0.0296(19) -0.0292(12) 0.150(8) Uani 1 1 d . . .
O11 O 0.4366(15) 0.1339(17) 0.0086(12) 0.130(6) Uani 1 1 d . . .
O12 O 0.3372(11) -0.0049(16) 0.0700(11) 0.128(7) Uani 1 1 d . . .
O13 O 0.7424(7) 0.2196(8) 0.3088(9) 0.091(4) Uani 1 1 d . . .
H5 H 0.7834 0.2023 0.3219 0.136 Uiso 1 1 d R . .
H6 H 0.6862 0.1936 0.2899 0.136 Uiso 1 1 d R . .
O14 O 0.2927(16) -0.134(3) 0.1545(19) 0.218(19) Uani 1 1 d . . .
H7 H 0.3406 -0.1103 0.1822 0.327 Uiso 1 1 d R . .
H8 H 0.3014 -0.1478 0.1989 0.327 Uiso 1 1 d R . .
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
Zn1 0.0561(9) 0.0482(9) 0.1292(17) -0.0170(10) -0.0292(11) 0.0276(7)
Zn2 0.0324(8) 0.0440(9) 0.305(5) 0.0315(16) 0.0032(14) 0.0149(6)
Zn3 0.0589(9) 0.0470(8) 0.1308(18) 0.0117(9) 0.0065(10) 0.0255(7)
N1 0.056(6) 0.040(5) 0.095(8) 0.007(5) -0.011(6) 0.014(4)
N2 0.0340(18) 0.038(5) 0.212(18) 0.027(8) 0.010(7) 0.017(4)
N3 0.051(5) 0.057(6) 0.088(8) 0.008(5) -0.003(5) 0.025(5)
N4 0.055(5) 0.059(5) 0.042(4) -0.003(4) 0.012(4) 0.023(4)
N5 0.036(4) 0.038(4) 0.044(4) 0.009(3) 0.010(3) 0.017(3)
N6 0.056(6) 0.065(6) 0.062(6) 0.003(5) -0.004(4) 0.034(5)
C1 0.052(6) 0.058(7) 0.103(10) -0.019(7) -0.031(7) 0.021(5)
C2 0.069(7) 0.051(6) 0.063(6) 0.005(5) -0.009(6) 0.026(5)
C3 0.052(6) 0.043(5) 0.102(9) 0.001(6) 0.009(7) 0.024(5)
C4 0.043(5) 0.056(6) 0.098(9) -0.005(7) -0.024(6) 0.028(5)
C5 0.059(6) 0.049(5) 0.064(6) 0.004(5) -0.002(6) 0.026(5)
C6 0.062(6) 0.052(5) 0.048(5) 0.005(5) 0.000(5) 0.038(5)
C7 0.046(6) 0.032(4) 0.142(14) 0.021(6) -0.003(7) 0.020(4)
C8 0.027(4) 0.037(5) 0.117(11) 0.005(6) 0.002(5) 0.013(4)
C9 0.018(4) 0.045(5) 0.144(13) 0.014(7) -0.004(6) 0.014(4)
C10 0.023(4) 0.039(4) 0.073(7) -0.002(4) -0.009(4) 0.013(3)
C11 0.037(5) 0.039(4) 0.073(7) 0.004(4) -0.015(5) 0.020(4)
C12 0.035(4) 0.034(4) 0.034(4) 0.004(3) 0.000(3) 0.016(3)
C13 0.079(9) 0.076(8) 0.087(10) -0.008(7) -0.012(7) 0.053(7)
C14 0.064(7) 0.054(6) 0.064(7) -0.002(5) -0.010(6) 0.020(6)
C15 0.076(8) 0.050(6) 0.079(8) 0.000(6) -0.008(7) 0.029(6)
C16 0.075(8) 0.057(7) 0.060(7) 0.014(6) 0.004(6) 0.029(6)
C17 0.047(5) 0.052(6) 0.051(6) 0.006(5) 0.001(4) 0.022(5)
C18 0.067(7) 0.079(9) 0.033(5) 0.010(5) -0.003(5) 0.022(7)
P1 0.0551(17) 0.0551(17) 0.178(7) 0.000 0.000 0.0275(9)
P2 0.0489(15) 0.0489(15) 0.222(9) 0.000 0.000 0.0244(8)
P3 0.085(3) 0.085(3) 0.101(6) 0.000 0.000 0.0424(14)
P4 0.096(3) 0.096(3) 0.142(7) 0.000 0.000 0.0482(15)
P5 0.0415(15) 0.0478(15) 0.187(5) 0.013(2) 0.0063(19) 0.0236(12)
P6 0.073(2) 0.094(3) 0.106(3) -0.002(2) -0.015(2) 0.048(2)
O1 0.0551(17) 0.0551(17) 0.178(7) 0.000 0.000 0.0275(9)
O2 0.0489(15) 0.0489(15) 0.222(9) 0.000 0.000 0.0244(8)
O3 0.089(8) 0.054(6) 0.187(17) -0.021(8) 0.001(9) 0.018(6)
O4 0.096(3) 0.096(3) 0.142(7) 0.000 0.000 0.0482(15)
O5 0.056(5) 0.094(8) 0.136(12) 0.010(8) 0.007(6) 0.029(5)
O6 0.048(5) 0.066(6) 0.30(3) 0.032(11) -0.012(9) 0.030(5)
O7 0.041(4) 0.056(5) 0.237(18) 0.017(8) 0.002(7) 0.025(4)
O8 0.0415(15) 0.0478(15) 0.187(5) 0.013(2) 0.0063(19) 0.0236(12)
O9 0.073(2) 0.094(3) 0.106(3) -0.002(2) -0.015(2) 0.048(2)
O10 0.18(2) 0.17(2) 0.147(16) -0.052(14) -0.061(15) 0.118(18)
O11 0.115(12) 0.167(17) 0.154(15) 0.027(12) 0.029(11) 0.106(13)
O12 0.070(7) 0.154(15) 0.181(17) -0.041(12) -0.007(9) 0.071(9)
O13 0.047(4) 0.061(5) 0.144(11) -0.002(6) -0.009(6) 0.011(4)
O14 0.093(11) 0.23(3) 0.25(3) 0.15(3) -0.017(16) 0.019(15)
_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 O9 1.878(14) . ?
Zn1 O1 1.943(11) . ?
Zn1 O8 2.012(15) . ?
Zn1 N1 2.061(13) . ?
Zn2 O3 1.94(2) . ?
Zn2 O6 1.945(13) . ?
Zn2 N2 2.050(10) . ?
Zn2 O4 2.06(2) . ?
Zn3 O5 1.870(19) . ?
Zn3 O2 1.919(12) . ?
Zn3 O10 1.94(2) 4_655 ?
Zn3 N3 2.094(12) . ?
N1 C3 1.343(17) . ?
N1 C1 1.376(19) . ?
N2 C9 1.329(16) . ?
N2 C7 1.364(16) . ?
N3 C15 1.30(2) . ?
N3 C13 1.35(2) . ?
N4 C6 1.322(17) 2_645 ?
N4 C6 1.354(16) . ?
N5 C12 1.349(11) 3_765 ?
N5 C12 1.352(12) . ?
N6 C18 1.316(19) . ?
N6 C18 1.37(2) 3 ?
C1 C2 1.29(2) . ?
C2 C5 1.386(19) . ?
C3 C4 1.347(17) . ?
C4 C5 1.434(17) . ?
C5 C6 1.450(16) . ?
C6 N4 1.322(17) 3_765 ?
C7 C8 1.338(16) . ?
C8 C11 1.374(14) . ?
C9 C10 1.410(12) . ?
C10 C11 1.406(14) . ?
C11 C12 1.463(12) . ?
C12 N5 1.349(11) 2_645 ?
C13 C14 1.39(2) . ?
C14 C17 1.35(2) . ?
C15 C16 1.38(2) . ?
C16 C17 1.371(19) . ?
C17 C18 1.525(19) . ?
C18 N6 1.37(2) 2 ?
P1 O1 1.411(11) 2_655 ?
P1 O1 1.411(11) . ?
P1 O1 1.411(11) 3_665 ?
P2 O2 1.457(10) . ?
P2 O2 1.457(10) 2_655 ?
P2 O2 1.457(10) 3_665 ?
P3 O3 1.499(15) 2_545 ?
P3 O3 1.499(15) . ?
P3 O3 1.499(15) 3_655 ?
P4 O4 1.454(17) 2_545 ?
P4 O4 1.454(17) . ?
P4 O4 1.454(17) 3_655 ?
P5 O8 1.355(18) . ?
P5 O6 1.542(16) . ?
P5 O7 1.575(10) . ?
P5 O5 1.604(17) . ?
P6 O10 1.47(2) . ?
P6 O9 1.468(13) . ?
P6 O12 1.527(18) . ?
P6 O11 1.56(2) . ?
O10 Zn3 1.94(2) 4_654 ?
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
O9 Zn1 O1 113.3(7) . . ?
O9 Zn1 O8 111.1(6) . . ?
O1 Zn1 O8 104.7(6) . . ?
O9 Zn1 N1 99.5(6) . . ?
O1 Zn1 N1 123.4(4) . . ?
O8 Zn1 N1 104.5(4) . . ?
O3 Zn2 O6 104.7(9) . . ?
O3 Zn2 N2 101.6(7) . . ?
O6 Zn2 N2 119.0(4) . . ?
O3 Zn2 O4 110.5(7) . . ?
O6 Zn2 O4 126.0(9) . . ?
N2 Zn2 O4 92.6(8) . . ?
O5 Zn3 O2 108.5(7) . . ?
O5 Zn3 O10 100.9(9) . 4_655 ?
O2 Zn3 O10 93.8(10) . 4_655 ?
O5 Zn3 N3 113.3(6) . . ?
O2 Zn3 N3 114.9(5) . . ?
O10 Zn3 N3 123.0(7) 4_655 . ?
C3 N1 C1 120.5(12) . . ?
C3 N1 Zn1 119.9(9) . . ?
C1 N1 Zn1 118.9(9) . . ?
C9 N2 C7 121.1(9) . . ?
C9 N2 Zn2 123.9(8) . . ?
C7 N2 Zn2 115.0(8) . . ?
C15 N3 C13 118.7(12) . . ?
C15 N3 Zn3 119.4(10) . . ?
C13 N3 Zn3 120.9(10) . . ?
C6 N4 C6 117.7(11) 2_645 . ?
C12 N5 C12 115.3(8) 3_765 . ?
C18 N6 C18 113.3(14) . 3 ?
C2 C1 N1 119.1(12) . . ?
C1 C2 C5 124.4(12) . . ?
N1 C3 C4 120.9(12) . . ?
C3 C4 C5 119.8(11) . . ?
C2 C5 C4 115.0(11) . . ?
C2 C5 C6 124.8(11) . . ?
C4 C5 C6 120.1(11) . . ?
N4 C6 N4 122.0(11) 3_765 . ?
N4 C6 C5 120.5(9) 3_765 . ?
N4 C6 C5 117.1(10) . . ?
C8 C7 N2 119.5(10) . . ?
C7 C8 C11 122.4(10) . . ?
N2 C9 C10 120.9(10) . . ?
C11 C10 C9 117.6(9) . . ?
C8 C11 C10 118.3(9) . . ?
C8 C11 C12 122.8(9) . . ?
C10 C11 C12 118.8(8) . . ?
N5 C12 N5 124.6(8) 2_645 . ?
N5 C12 C11 117.1(7) 2_645 . ?
N5 C12 C11 118.3(7) . . ?
N3 C13 C14 121.5(13) . . ?
C17 C14 C13 118.2(12) . . ?
N3 C15 C16 122.6(13) . . ?
C17 C16 C15 118.0(13) . . ?
C14 C17 C16 120.7(12) . . ?
C14 C17 C18 120.9(12) . . ?
C16 C17 C18 118.4(12) . . ?
N6 C18 N6 126.6(14) . 2 ?
N6 C18 C17 115.7(13) . . ?
N6 C18 C17 117.5(11) 2 . ?
O1 P1 O1 115.3(7) 2_655 . ?
O1 P1 O1 115.3(7) 2_655 3_665 ?
O1 P1 O1 115.3(7) . 3_665 ?
O2 P2 O2 119.82(15) . 2_655 ?
O2 P2 O2 119.82(15) . 3_665 ?
O2 P2 O2 119.82(15) 2_655 3_665 ?
O3 P3 O3 110.8(9) 2_545 . ?
O3 P3 O3 110.8(9) 2_545 3_655 ?
O3 P3 O3 110.8(9) . 3_655 ?
O4 P4 O4 116.9(6) 2_545 . ?
O4 P4 O4 116.9(6) 2_545 3_655 ?
O4 P4 O4 116.9(6) . 3_655 ?
O8 P5 O6 110.8(10) . . ?
O8 P5 O7 115.7(10) . . ?
O6 P5 O7 102.7(7) . . ?
O8 P5 O5 115.6(7) . . ?
O6 P5 O5 105.9(11) . . ?
O7 P5 O5 105.0(9) . . ?
O10 P6 O9 115.5(10) . . ?
O10 P6 O12 108.6(14) . . ?
O9 P6 O12 109.9(10) . . ?
O10 P6 O11 112.3(13) . . ?
O9 P6 O11 113.0(11) . . ?
O12 P6 O11 95.6(10) . . ?
P1 O1 Zn1 135.5(9) . . ?
P2 O2 Zn3 138.4(10) . . ?
P3 O3 Zn2 136.6(13) . . ?
P4 O4 Zn2 120.3(12) . . ?
P5 O5 Zn3 124.1(8) . . ?
P5 O6 Zn2 118.9(11) . . ?
P5 O8 Zn1 140.3(6) . . ?
P6 O9 Zn1 143.9(9) . . ?
P6 O10 Zn3 133.6(13) . 4_654 ?
_diffrn_measured_fraction_theta_max 0.940
_diffrn_reflns_theta_full        66.56
_diffrn_measured_fraction_theta_full 0.940
_refine_diff_density_max         1.166
_refine_diff_density_min         -1.390
_refine_diff_density_rms         0.162