# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2013


data_global
_journal_name_full               'Dalton Trans.'
_journal_coden_cambridge         0222
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_contact_author_name        'Lei Hou'
_publ_contact_author_email       lhou2009@nwu.edu.cn
_publ_author_name                'Lei Hou'

data_znm
_database_code_depnum_ccdc_archive 'CCDC 893365'
#TrackingRef 'znm1.cif'

# SQUEEZE RESULTS (APPEND TO CIF)
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.135 0.500 181 32 ' '
2 0.000 -0.351 0.500 181 32 ' '
_platon_squeeze_details          
;
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C19 H15 N9 O5 Zn2'
_chemical_formula_weight         580.14

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   C2

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

_cell_length_a                   18.1435(18)
_cell_length_b                   7.9332(8)
_cell_length_c                   17.2163(17)
_cell_angle_alpha                90.00
_cell_angle_beta                 105.387(2)
_cell_angle_gamma                90.00
_cell_volume                     2389.2(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    1975
_cell_measurement_theta_min      2.45
_cell_measurement_theta_max      25.57

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.613
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1168
_exptl_absorpt_coefficient_mu    2.057
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7335
_exptl_absorpt_correction_T_max  0.8360
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      295(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  
;
Bruker SMART APEX area-detector diffractometer
;
_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            5967
_diffrn_reflns_av_R_equivalents  0.0297
_diffrn_reflns_av_sigmaI/netI    0.0548
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.90
_diffrn_reflns_theta_max         25.98
_reflns_number_total             3510
_reflns_number_gt                3013
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2002)'
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997)'
_computing_publication_material  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^ > 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.

The coordinated DMF molecules is distorted, and which is refined by using
restraints of DFIX, DELU and SIMU routines. In addition, SIMU routine was
used to restrain the C16 (O3-C16-O4) carboxylate group.
;

_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^)+(0.0704P)^2^+0.0000P] 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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.01(2)
_refine_ls_number_reflns         3510
_refine_ls_number_parameters     316
_refine_ls_number_restraints     50
_refine_ls_R_factor_all          0.0458
_refine_ls_R_factor_gt           0.0422
_refine_ls_wR_factor_ref         0.1084
_refine_ls_wR_factor_gt          0.1060
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_restrained_S_all      1.073
_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 0.08366(7) 0.27051(17) 0.24428(6) 0.0365(4) Uani 1 1 d . . .
Zn2 Zn 0.24954(7) 0.58325(15) 0.24340(5) 0.0293(3) Uani 1 1 d . . .
N1 N 0.3172(5) 0.2874(13) 0.7694(5) 0.037(2) Uani 1 1 d . . .
N2 N 0.3620(6) 0.3191(14) 0.8443(5) 0.044(3) Uani 1 1 d . . .
N3 N 0.4000(6) 0.4575(15) 0.8422(5) 0.046(3) Uani 1 1 d . . .
N4 N 0.3798(6) 0.5177(13) 0.7651(5) 0.041(3) Uani 1 1 d . . .
N5 N 0.1387(5) 0.1442(10) -0.2656(4) 0.0254(18) Uani 1 1 d . . .
N6 N 0.0897(6) 0.1097(13) -0.3396(4) 0.037(2) Uani 1 1 d . . .
N7 N 0.0203(6) 0.1326(13) -0.3379(5) 0.042(3) Uani 1 1 d . . .
N8 N 0.0200(5) 0.1886(11) -0.2616(4) 0.0297(19) Uani 1 1 d . . .
N9 N -0.0613(6) 0.6765(12) 0.1167(5) 0.078(2) Uani 1 1 d DU . .
O1 O 0.1404(5) 0.3503(12) 0.3516(4) 0.045(2) Uani 1 1 d . . .
O2 O 0.2486(5) 0.4522(12) 0.3362(4) 0.050(2) Uani 1 1 d . . .
O3 O 0.1361(5) 0.3284(10) 0.1547(4) 0.064(2) Uani 1 1 d U . .
O4 O 0.2346(5) 0.4677(11) 0.1411(4) 0.048(2) Uani 1 1 d U . .
O5 O 0.0186(5) 0.5100(9) 0.2084(4) 0.068(2) Uani 1 1 d DU . .
C1 C 0.3296(7) 0.4114(16) 0.7216(6) 0.040(3) Uani 1 1 d . . .
C2 C 0.2961(7) 0.4184(15) 0.6345(5) 0.037(3) Uani 1 1 d . . .
C3 C 0.3419(7) 0.4569(17) 0.5844(6) 0.043(3) Uani 1 1 d . . .
H3 H 0.3931 0.4836 0.6063 0.051 Uiso 1 1 calc R . .
C4 C 0.3116(7) 0.4560(17) 0.5011(6) 0.048(3) Uani 1 1 d . . .
H4 H 0.3425 0.4824 0.4674 0.057 Uiso 1 1 calc R . .
C5 C 0.2360(7) 0.4161(14) 0.4688(5) 0.035(3) Uani 1 1 d . . .
C6 C 0.1911(7) 0.3718(17) 0.5178(6) 0.044(3) Uani 1 1 d . . .
H6 H 0.1411 0.3368 0.4950 0.053 Uiso 1 1 calc R . .
C7 C 0.2186(7) 0.378(2) 0.6006(6) 0.051(3) Uani 1 1 d . . .
H7 H 0.1864 0.3561 0.6335 0.061 Uiso 1 1 calc R . .
C8 C 0.2032(7) 0.4040(13) 0.3766(5) 0.032(3) Uani 1 1 d . . .
C9 C 0.0937(6) 0.1900(12) -0.2206(5) 0.024(2) Uani 1 1 d . . .
C10 C 0.1211(6) 0.2320(11) -0.1327(5) 0.022(2) Uani 1 1 d . . .
C11 C 0.0773(7) 0.1767(14) -0.0823(5) 0.033(2) Uani 1 1 d . . .
H11 H 0.0333 0.1132 -0.1028 0.040 Uiso 1 1 calc R . .
C12 C 0.0998(6) 0.2172(13) -0.0017(5) 0.034(2) Uani 1 1 d . . .
H12 H 0.0724 0.1740 0.0325 0.041 Uiso 1 1 calc R . .
C13 C 0.1601(7) 0.3173(12) 0.0289(5) 0.030(2) Uani 1 1 d . . .
C14 C 0.2048(6) 0.3743(14) -0.0222(5) 0.033(2) Uani 1 1 d . . .
H14 H 0.2482 0.4396 -0.0018 0.040 Uiso 1 1 calc R . .
C15 C 0.1829(6) 0.3314(13) -0.1020(5) 0.032(2) Uani 1 1 d . . .
H15 H 0.2110 0.3714 -0.1361 0.038 Uiso 1 1 calc R . .
C16 C 0.1809(8) 0.3732(15) 0.1169(6) 0.044(2) Uani 1 1 d U . .
C17 C -0.0067(7) 0.5612(16) 0.1402(6) 0.073(2) Uani 1 1 d DU . .
H17 H 0.0139 0.5158 0.1007 0.088 Uiso 1 1 calc R . .
C18 C -0.0914(8) 0.7384(16) 0.1805(7) 0.089(3) Uani 1 1 d DU . .
H18A H -0.0667 0.6816 0.2298 0.134 Uiso 1 1 calc R . .
H18B H -0.1454 0.7174 0.1675 0.134 Uiso 1 1 calc R . .
H18C H -0.0821 0.8574 0.1869 0.134 Uiso 1 1 calc R . .
C19 C -0.0829(8) 0.7242(16) 0.0340(6) 0.085(3) Uani 1 1 d DU . .
H19A H -0.0555 0.6568 0.0047 0.128 Uiso 1 1 calc R . .
H19B H -0.0711 0.8411 0.0293 0.128 Uiso 1 1 calc R . .
H19C H -0.1369 0.7069 0.0123 0.128 Uiso 1 1 calc 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 0.0268(8) 0.0615(8) 0.0175(5) 0.0034(5) -0.0003(5) -0.0131(6)
Zn2 0.0263(7) 0.0474(7) 0.0146(5) -0.0031(5) 0.0059(4) -0.0070(5)
N1 0.032(6) 0.054(5) 0.022(4) 0.002(4) 0.003(4) 0.005(4)
N2 0.029(7) 0.079(8) 0.017(4) -0.002(4) -0.004(4) -0.009(5)
N3 0.036(7) 0.082(8) 0.017(4) 0.002(4) -0.001(4) -0.003(6)
N4 0.027(6) 0.078(7) 0.016(4) 0.004(4) 0.003(4) -0.009(5)
N5 0.019(5) 0.038(4) 0.016(3) -0.005(3) -0.001(3) 0.002(3)
N6 0.030(6) 0.062(7) 0.016(3) -0.002(4) 0.000(4) 0.008(5)
N7 0.045(7) 0.064(7) 0.019(4) -0.007(4) 0.010(4) 0.005(5)
N8 0.028(6) 0.041(5) 0.021(4) -0.003(3) 0.008(4) -0.001(4)
N9 0.065(6) 0.062(5) 0.100(5) 0.002(4) 0.008(4) 0.000(4)
O1 0.027(6) 0.084(6) 0.016(3) 0.004(3) -0.010(3) -0.021(4)
O2 0.033(6) 0.090(7) 0.021(3) 0.011(4) -0.001(3) -0.016(4)
O3 0.090(6) 0.077(4) 0.036(4) -0.011(3) 0.034(4) -0.039(4)
O4 0.060(6) 0.066(5) 0.021(3) -0.020(3) 0.012(3) -0.021(4)
O5 0.072(6) 0.065(4) 0.056(4) 0.019(3) 0.000(4) -0.024(4)
C1 0.029(7) 0.072(8) 0.022(4) 0.001(5) 0.014(5) -0.013(6)
C2 0.027(7) 0.067(8) 0.016(4) 0.002(5) 0.001(4) -0.007(5)
C3 0.018(7) 0.086(9) 0.021(4) 0.003(5) -0.001(4) -0.016(6)
C4 0.044(9) 0.081(9) 0.021(5) -0.005(5) 0.013(5) -0.030(7)
C5 0.034(7) 0.055(7) 0.015(4) 0.000(4) 0.002(4) -0.015(5)
C6 0.024(8) 0.084(9) 0.021(4) 0.010(5) -0.001(5) -0.005(6)
C7 0.028(8) 0.100(11) 0.027(5) 0.011(6) 0.009(5) -0.006(7)
C8 0.043(8) 0.042(6) 0.010(4) -0.001(4) 0.007(4) -0.005(5)
C9 0.022(7) 0.027(5) 0.019(4) -0.008(4) -0.002(4) -0.001(4)
C10 0.025(6) 0.028(5) 0.012(4) -0.002(3) 0.002(4) 0.002(4)
C11 0.030(7) 0.041(6) 0.027(4) -0.002(4) 0.003(4) -0.011(5)
C12 0.035(7) 0.046(6) 0.022(4) 0.000(4) 0.010(5) -0.007(5)
C13 0.035(7) 0.039(6) 0.017(4) 0.005(4) 0.010(5) 0.001(4)
C14 0.027(7) 0.049(6) 0.024(4) -0.014(4) 0.009(4) -0.008(5)
C15 0.028(7) 0.052(6) 0.018(4) -0.006(4) 0.010(4) -0.007(5)
C16 0.065(6) 0.048(5) 0.024(4) -0.012(4) 0.023(4) -0.015(5)
C17 0.066(6) 0.069(5) 0.081(5) 0.016(4) 0.011(5) -0.012(4)
C18 0.078(8) 0.073(7) 0.109(6) -0.003(6) 0.012(6) -0.009(5)
C19 0.068(8) 0.078(7) 0.101(6) 0.003(5) 0.008(6) -0.001(6)

_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 O1 1.967(7) . ?
Zn1 O3 2.068(7) . ?
Zn1 N8 2.085(9) 2 ?
Zn1 N4 2.132(10) 4_546 ?
Zn1 O5 2.235(8) . ?
Zn2 O2 1.910(7) . ?
Zn2 O4 1.939(6) . ?
Zn2 N1 2.000(10) 4_556 ?
Zn2 N5 2.021(9) 4 ?
N1 C1 1.339(15) . ?
N1 N2 1.352(11) . ?
N1 Zn2 2.000(10) 4_546 ?
N2 N3 1.301(15) . ?
N3 N4 1.367(11) . ?
N4 C1 1.318(15) . ?
N4 Zn1 2.132(10) 4_556 ?
N5 C9 1.316(12) . ?
N5 N6 1.374(11) . ?
N5 Zn2 2.021(9) 4_545 ?
N6 N7 1.280(13) . ?
N7 N8 1.388(10) . ?
N8 C9 1.336(13) . ?
N8 Zn1 2.085(9) 2 ?
N9 C17 1.331(12) . ?
N9 C19 1.424(8) . ?
N9 C18 1.436(9) . ?
O1 C8 1.184(13) . ?
O2 C8 1.271(12) . ?
O3 C16 1.220(13) . ?
O4 C16 1.212(14) . ?
O5 C17 1.211(8) . ?
C1 C2 1.461(13) . ?
C2 C3 1.382(14) . ?
C2 C7 1.410(18) . ?
C3 C4 1.393(13) . ?
C3 H3 0.9300 . ?
C4 C5 1.374(16) . ?
C4 H4 0.9300 . ?
C5 C6 1.365(15) . ?
C5 C8 1.543(11) . ?
C6 C7 1.381(14) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C9 C10 1.499(10) . ?
C10 C15 1.358(13) . ?
C10 C11 1.395(13) . ?
C11 C12 1.376(12) . ?
C11 H11 0.9300 . ?
C12 C13 1.342(15) . ?
C12 H12 0.9300 . ?
C13 C14 1.419(14) . ?
C13 C16 1.527(12) . ?
C14 C15 1.368(12) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C17 H17 0.9300 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?

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
O1 Zn1 O3 113.5(3) . . ?
O1 Zn1 N8 103.5(3) . 2 ?
O3 Zn1 N8 141.9(3) . 2 ?
O1 Zn1 N4 106.1(4) . 4_546 ?
O3 Zn1 N4 86.5(3) . 4_546 ?
N8 Zn1 N4 91.6(4) 2 4_546 ?
O1 Zn1 O5 95.3(3) . . ?
O3 Zn1 O5 85.3(3) . . ?
N8 Zn1 O5 82.8(3) 2 . ?
N4 Zn1 O5 158.5(3) 4_546 . ?
O2 Zn2 O4 118.2(4) . . ?
O2 Zn2 N1 113.2(4) . 4_556 ?
O4 Zn2 N1 110.4(4) . 4_556 ?
O2 Zn2 N5 101.8(3) . 4 ?
O4 Zn2 N5 100.2(3) . 4 ?
N1 Zn2 N5 112.1(4) 4_556 4 ?
C1 N1 N2 107.0(10) . . ?
C1 N1 Zn2 136.3(8) . 4_546 ?
N2 N1 Zn2 116.7(7) . 4_546 ?
N3 N2 N1 108.6(9) . . ?
N2 N3 N4 108.3(9) . . ?
C1 N4 N3 107.2(9) . . ?
C1 N4 Zn1 137.7(7) . 4_556 ?
N3 N4 Zn1 113.2(7) . 4_556 ?
C9 N5 N6 104.6(9) . . ?
C9 N5 Zn2 134.7(7) . 4_545 ?
N6 N5 Zn2 119.8(6) . 4_545 ?
N7 N6 N5 110.4(7) . . ?
N6 N7 N8 108.5(8) . . ?
C9 N8 N7 104.3(8) . . ?
C9 N8 Zn1 137.4(6) . 2 ?
N7 N8 Zn1 117.7(7) . 2 ?
C17 N9 C19 118.2(9) . . ?
C17 N9 C18 113.9(9) . . ?
C19 N9 C18 127.9(10) . . ?
C8 O1 Zn1 132.1(7) . . ?
C8 O2 Zn2 140.6(8) . . ?
C16 O3 Zn1 164.9(9) . . ?
C16 O4 Zn2 120.7(7) . . ?
C17 O5 Zn1 126.1(8) . . ?
N4 C1 N1 108.9(9) . . ?
N4 C1 C2 126.5(10) . . ?
N1 C1 C2 124.5(11) . . ?
C3 C2 C7 119.4(9) . . ?
C3 C2 C1 119.6(10) . . ?
C7 C2 C1 120.9(9) . . ?
C2 C3 C4 120.3(10) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 H3 119.9 . . ?
C5 C4 C3 119.8(9) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C6 C5 C4 120.3(9) . . ?
C6 C5 C8 119.3(10) . . ?
C4 C5 C8 120.1(9) . . ?
C5 C6 C7 121.2(11) . . ?
C5 C6 H6 119.3 . . ?
C7 C6 H6 119.5 . . ?
C6 C7 C2 118.8(10) . . ?
C6 C7 H7 120.5 . . ?
C2 C7 H7 120.7 . . ?
O1 C8 O2 127.6(8) . . ?
O1 C8 C5 117.9(8) . . ?
O2 C8 C5 114.6(10) . . ?
N5 C9 N8 112.1(8) . . ?
N5 C9 C10 124.3(9) . . ?
N8 C9 C10 123.5(8) . . ?
C15 C10 C11 119.2(8) . . ?
C15 C10 C9 122.7(8) . . ?
C11 C10 C9 117.9(8) . . ?
C12 C11 C10 119.3(9) . . ?
C12 C11 H11 120.4 . . ?
C10 C11 H11 120.3 . . ?
C13 C12 C11 121.8(9) . . ?
C13 C12 H12 119.1 . . ?
C11 C12 H12 119.2 . . ?
C12 C13 C14 119.1(8) . . ?
C12 C13 C16 121.4(9) . . ?
C14 C13 C16 119.4(10) . . ?
C15 C14 C13 118.8(10) . . ?
C15 C14 H14 120.5 . . ?
C13 C14 H14 120.7 . . ?
C10 C15 C14 121.7(9) . . ?
C10 C15 H15 119.1 . . ?
C14 C15 H15 119.2 . . ?
O4 C16 O3 125.8(10) . . ?
O4 C16 C13 119.0(9) . . ?
O3 C16 C13 114.9(11) . . ?
O5 C17 N9 125.8(11) . . ?
O5 C17 H17 117.2 . . ?
N9 C17 H17 117.0 . . ?
N9 C18 H18A 109.0 . . ?
N9 C18 H18B 109.6 . . ?
H18A C18 H18B 109.5 . . ?
N9 C18 H18C 109.8 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N9 C19 H19A 109.4 . . ?
N9 C19 H19B 109.6 . . ?
H19A C19 H19B 109.5 . . ?
N9 C19 H19C 109.4 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.972
_diffrn_reflns_theta_full        25.98
_diffrn_measured_fraction_theta_full 0.972
_refine_diff_density_max         0.769
_refine_diff_density_min         -0.540
_refine_diff_density_rms         0.092