#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:11:17 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179680 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/02/7000298.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7000298
loop_
_publ_author_name
'Lee, Young Hoon'
'Harrowfield, Jack'
'Kim, Yang'
'Lim, Woo Taik'
'Park, Yu Cheol'
'Thuéry, Pierre'
_publ_section_title
;
 Functionalised azetidines as ligands: pyridyl-complemented
 coordination
;
_journal_issue                   3
_journal_name_full               'Dalton Transactions'
_journal_page_first              434
_journal_page_last               442
_journal_paper_doi               10.1039/b812295d
_journal_year                    2009
_chemical_formula_sum            'C31 H42 Cl3 Cu2 N6 O13'
_chemical_formula_weight         940.14
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.12(3)
_cell_angle_beta                 101.22(3)
_cell_angle_gamma                112.10(3)
_cell_formula_units_Z            2
_cell_length_a                   10.812(2)
_cell_length_b                   13.045(3)
_cell_length_c                   15.543(3)
_cell_measurement_reflns_used    10123
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      270.34
_cell_measurement_theta_min      1.33
_cell_volume                     1977.6(9)
_computing_cell_refinement       'HKL2000 (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Hooft, 1998)'
_computing_data_reduction        'HKL2000 (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1999)'
_computing_publication_material
'SHELXTL (Sheldrick, 1999); PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.920
_diffrn_measurement_device_type  'ADSC Quantum 210'
_diffrn_measurement_method       'two φ and two ω scans with 2° steps'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Synchrotron radiation'
_diffrn_radiation_type           'Synchrotron radiation'
_diffrn_radiation_wavelength     0.69996
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0379
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            10123
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         30.34
_diffrn_reflns_theta_min         1.33
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.347
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    1.579
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             966
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.916
_refine_diff_density_min         -1.458
_refine_diff_density_rms         0.137
_refine_ls_extinction_coef       0.036(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     497
_refine_ls_number_reflns         10123
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0886
_refine_ls_R_factor_gt           0.0696
_refine_ls_shift/su_max          0.045
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1618P)²+0.1060P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2130
_refine_ls_wR_factor_ref         0.2290
_reflns_number_gt                7394
_reflns_number_total             10123
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b812295d.txt
_cod_data_source_block           yk0619
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'NONE' changed to
'none' according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1977.6(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7000298
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Cu1 Cu 0.67518(4) 0.91582(4) 0.23807(3) 0.03698(16) Uani 1 1 d . . .
Cu2 Cu 0.20040(5) 0.43675(4) 0.25211(3) 0.03931(16) Uani 1 1 d . . .
O1 O 0.8067(3) 0.9038(2) 0.16978(17) 0.0436(6) Uani 1 1 d . . .
O2 O 0.8488(3) 1.0833(2) 0.1680(2) 0.0509(7) Uani 1 1 d . . .
O3 O 0.6262(4) 0.7493(3) 0.2854(2) 0.0626(8) Uani 1 1 d . . .
H3A' H 0.5350 0.7000 0.2747 0.075 Uiso 1 1 calc R . .
O4 O 0.2403(3) 0.4227(2) 0.13308(18) 0.0480(6) Uani 1 1 d . . .
O5 O 0.4229(3) 0.5584(3) 0.2125(2) 0.0570(8) Uani 1 1 d . . .
O6 O 0.7299(13) 0.4503(11) 0.3650(5) 0.246(6) Uani 1 1 d . . .
O7 O 0.7821(8) 0.4581(13) 0.2416(8) 0.317(9) Uani 1 1 d . . .
O8 O 0.5679(4) 0.3516(6) 0.2377(3) 0.1153(19) Uani 1 1 d . . .
O9 O 0.7581(6) 0.3108(5) 0.2989(6) 0.163(3) Uani 1 1 d . . .
O10 O 0.1227(8) -0.0523(4) 0.3886(4) 0.134(2) Uani 1 1 d . . .
O11 O 0.3271(6) 0.0958(6) 0.4010(4) 0.134(2) Uani 1 1 d . . .
O12 O 0.1278(4) 0.1035(4) 0.3225(3) 0.0802(11) Uani 1 1 d . . .
O13 O 0.1733(7) 0.1105(5) 0.4733(3) 0.1104(17) Uani 1 1 d . . .
N1 N 0.5214(4) 0.8620(3) 0.1258(2) 0.0465(7) Uani 1 1 d . . .
N2 N 0.5624(4) 0.9791(3) 0.2932(2) 0.0480(7) Uani 1 1 d . . .
N3 N 0.8225(3) 0.9958(3) 0.3469(2) 0.0451(7) Uani 1 1 d . . .
H3A H 0.8308 0.9468 0.3846 0.054 Uiso 1 1 calc R . .
H3B H 0.9035 1.0298 0.3321 0.054 Uiso 1 1 calc R . .
N4 N 0.1213(3) 0.5560(3) 0.2253(2) 0.0447(7) Uani 1 1 d . . .
N5 N 0.2178(3) 0.4770(3) 0.3817(2) 0.0427(7) Uani 1 1 d . . .
N6 N 0.3024(4) 0.3397(3) 0.2967(3) 0.0534(8) Uani 1 1 d . . .
H6A H 0.2436 0.2681 0.2912 0.064 Uiso 1 1 calc R . .
H6B H 0.3655 0.3441 0.2652 0.064 Uiso 1 1 calc R . .
C1 C 0.5318(5) 0.7952(4) 0.0630(3) 0.0563(10) Uani 1 1 d . . .
H1 H 0.6055 0.7734 0.0737 0.068 Uiso 1 1 calc R . .
C2 C 0.4388(6) 0.7568(5) -0.0170(3) 0.0732(14) Uani 1 1 d . . .
H2 H 0.4471 0.7075 -0.0581 0.088 Uiso 1 1 calc R . .
C3 C 0.3339(6) 0.7929(6) -0.0347(4) 0.0802(17) Uani 1 1 d . . .
H3 H 0.2726 0.7716 -0.0895 0.096 Uiso 1 1 calc R . .
C4 C 0.3201(6) 0.8597(5) 0.0281(3) 0.0712(14) Uani 1 1 d . . .
H4 H 0.2479 0.8833 0.0167 0.085 Uiso 1 1 calc R . .
C5 C 0.4129(4) 0.8937(4) 0.1098(3) 0.0504(9) Uani 1 1 d . . .
C6 C 0.3989(5) 0.9639(4) 0.1842(3) 0.0551(10) Uani 1 1 d . . .
C7 C 0.4122(5) 0.9105(4) 0.2723(3) 0.0573(10) Uani 1 1 d . . .
H7A H 0.3644 0.9285 0.3134 0.069 Uiso 1 1 calc R . .
H7B H 0.3892 0.8309 0.2636 0.069 Uiso 1 1 calc R . .
C8 C 0.5366(5) 1.0577(4) 0.2304(3) 0.0568(11) Uani 1 1 d . . .
H8A H 0.6017 1.0817 0.1929 0.068 Uiso 1 1 calc R . .
H8B H 0.5271 1.1210 0.2588 0.068 Uiso 1 1 calc R . .
C9 C 0.2788(6) 0.9984(6) 0.1617(4) 0.0817(18) Uani 1 1 d . . .
H9A H 0.2769 1.0423 0.2120 0.123 Uiso 1 1 calc R . .
H9B H 0.1951 0.9332 0.1458 0.123 Uiso 1 1 calc R . .
H9C H 0.2880 1.0417 0.1130 0.123 Uiso 1 1 calc R . .
C10 C 0.6328(5) 1.0245(5) 0.3845(3) 0.0619(12) Uani 1 1 d . . .
H10A H 0.6145 0.9654 0.4222 0.074 Uiso 1 1 calc R . .
H10B H 0.6002 1.0789 0.4048 0.074 Uiso 1 1 calc R . .
C11 C 0.7838(5) 1.0788(4) 0.3890(3) 0.0593(11) Uani 1 1 d . . .
H11A H 0.8041 1.1443 0.3581 0.071 Uiso 1 1 calc R . .
H11B H 0.8343 1.1013 0.4501 0.071 Uiso 1 1 calc R . .
C12 C 0.8599(4) 0.9969(3) 0.1421(2) 0.0404(7) Uani 1 1 d . . .
C13 C 0.9349(4) 0.9984(3) 0.0696(2) 0.0380(7) Uani 1 1 d . . .
C14 C 1.0255(4) 1.0994(3) 0.0509(2) 0.0428(8) Uani 1 1 d . . .
H14 H 1.0428 1.1657 0.0847 0.051 Uiso 1 1 calc R . .
C15 C 0.9099(4) 0.8998(3) 0.0188(2) 0.0413(7) Uani 1 1 d . . .
H15 H 0.8496 0.8325 0.0314 0.050 Uiso 1 1 calc R . .
C16 C 0.0759(5) 0.5624(5) 0.1393(3) 0.0606(11) Uani 1 1 d . . .
H16 H 0.0820 0.5133 0.0970 0.073 Uiso 1 1 calc R . .
C17 C 0.0207(6) 0.6385(5) 0.1109(3) 0.0716(14) Uani 1 1 d . . .
H17 H -0.0121 0.6392 0.0511 0.086 Uiso 1 1 calc R . .
C18 C 0.0158(6) 0.7125(5) 0.1731(4) 0.0776(16) Uani 1 1 d . . .
H18 H -0.0191 0.7657 0.1562 0.093 Uiso 1 1 calc R . .
C19 C 0.0636(5) 0.7074(4) 0.2622(3) 0.0624(12) Uani 1 1 d . . .
H19 H 0.0613 0.7578 0.3051 0.075 Uiso 1 1 calc R . .
C20 C 0.1136(4) 0.6286(3) 0.2865(3) 0.0448(8) Uani 1 1 d . . .
C21 C 0.1643(5) 0.6185(4) 0.3832(3) 0.0510(9) Uani 1 1 d . . .
C22 C 0.0996(5) 0.4964(4) 0.4032(3) 0.0517(9) Uani 1 1 d . . .
H22A H 0.0933 0.4899 0.4643 0.062 Uiso 1 1 calc R . .
H22B H 0.0126 0.4524 0.3632 0.062 Uiso 1 1 calc R . .
C23 C 0.2987(5) 0.5998(4) 0.3995(3) 0.0521(10) Uani 1 1 d . . .
H23A H 0.3540 0.6292 0.3570 0.063 Uiso 1 1 calc R . .
H23B H 0.3531 0.6247 0.4595 0.063 Uiso 1 1 calc R . .
C24 C 0.1594(8) 0.7075(5) 0.4478(4) 0.0822(17) Uani 1 1 d . . .
H24A H 0.1922 0.6965 0.5073 0.123 Uiso 1 1 calc R . .
H24B H 0.0667 0.7019 0.4403 0.123 Uiso 1 1 calc R . .
H24C H 0.2161 0.7801 0.4364 0.123 Uiso 1 1 calc R . .
C25 C 0.2667(5) 0.4025(4) 0.4330(3) 0.0592(11) Uani 1 1 d . . .
H25A H 0.1907 0.3330 0.4335 0.071 Uiso 1 1 calc R . .
H25B H 0.3089 0.4368 0.4935 0.071 Uiso 1 1 calc R . .
C26 C 0.3697(5) 0.3809(4) 0.3908(3) 0.0611(11) Uani 1 1 d . . .
H26A H 0.4504 0.4490 0.3959 0.073 Uiso 1 1 calc R . .
H26B H 0.3973 0.3256 0.4194 0.073 Uiso 1 1 calc R . .
C27 C 0.3618(4) 0.4937(3) 0.1427(2) 0.0430(8) Uani 1 1 d . . .
C28 C 0.4334(4) 0.4952(3) 0.0686(2) 0.0423(8) Uani 1 1 d . . .
C29 C 0.5754(4) 0.5470(4) 0.0845(3) 0.0475(9) Uani 1 1 d . . .
H29 H 0.6262 0.5790 0.1413 0.057 Uiso 1 1 calc R . .
C30 C 0.3589(4) 0.4490(4) -0.0162(3) 0.0488(9) Uani 1 1 d . . .
H30 H 0.2638 0.4151 -0.0272 0.059 Uiso 1 1 calc R . .
C31 C 0.7278(9) 0.7154(6) 0.3310(5) 0.117(3) Uani 1 1 d . . .
H31A H 0.6852 0.6411 0.3454 0.176 Uiso 1 1 calc R . .
H31B H 0.7771 0.7652 0.3843 0.176 Uiso 1 1 calc R . .
H31C H 0.7900 0.7167 0.2942 0.176 Uiso 1 1 calc R . .
Cl1 Cl 0.70052(12) 0.38905(10) 0.28970(8) 0.0606(3) Uani 1 1 d . . .
Cl2 Cl 0.18956(13) 0.06448(10) 0.39677(8) 0.0609(3) Uani 1 1 d . . .
Cl3 Cl -0.0166(4) 0.3044(3) 0.2190(3) 0.1966(16) Uani 1 1 d . . .
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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'
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 Cu1 N2 160.55(14) . . ?
O1 Cu1 N3 93.55(13) . . ?
N2 Cu1 N3 84.26(14) . . ?
O1 Cu1 N1 90.32(13) . . ?
N2 Cu1 N1 88.83(14) . . ?
N3 Cu1 N1 169.45(14) . . ?
O1 Cu1 O3 95.94(13) . . ?
N2 Cu1 O3 103.49(15) . . ?
N3 Cu1 O3 93.85(14) . . ?
N1 Cu1 O3 95.52(13) . . ?
O4 Cu2 N5 163.70(13) . . ?
O4 Cu2 N6 90.49(14) . . ?
N5 Cu2 N6 83.92(14) . . ?
O4 Cu2 N4 95.11(13) . . ?
N5 Cu2 N4 88.36(13) . . ?
N6 Cu2 N4 169.71(15) . . ?
O4 Cu2 Cl3 96.94(15) . . ?
N5 Cu2 Cl3 99.04(16) . . ?
N6 Cu2 Cl3 98.87(16) . . ?
N4 Cu2 Cl3 89.03(15) . . ?
C12 O1 Cu1 107.5(2) . . ?
C31 O3 Cu1 122.7(4) . . ?
C27 O4 Cu2 103.4(2) . . ?
C1 N1 C5 118.2(4) . . ?
C1 N1 Cu1 117.3(3) . . ?
C5 N1 Cu1 124.4(3) . . ?
C10 N2 C7 119.2(4) . . ?
C10 N2 C8 118.1(4) . . ?
C7 N2 C8 88.9(3) . . ?
C10 N2 Cu1 109.2(3) . . ?
C7 N2 Cu1 115.6(3) . . ?
C8 N2 Cu1 103.8(3) . . ?
C11 N3 Cu1 108.2(3) . . ?
C16 N4 C20 118.1(4) . . ?
C16 N4 Cu2 116.5(3) . . ?
C20 N4 Cu2 125.4(3) . . ?
C25 N5 C22 117.5(3) . . ?
C25 N5 C23 119.4(4) . . ?
C22 N5 C23 88.5(3) . . ?
C25 N5 Cu2 109.4(3) . . ?
C22 N5 Cu2 114.9(3) . . ?
C23 N5 Cu2 105.4(2) . . ?
C26 N6 Cu2 107.5(3) . . ?
N1 C1 C2 123.2(5) . . ?
C3 C2 C1 118.6(5) . . ?
C4 C3 C2 119.4(5) . . ?
C3 C4 C5 120.7(5) . . ?
N1 C5 C4 119.8(4) . . ?
N1 C5 C6 117.2(3) . . ?
C4 C5 C6 123.1(4) . . ?
C5 C6 C9 114.6(4) . . ?
C5 C6 C8 112.4(4) . . ?
C9 C6 C8 115.4(5) . . ?
C5 C6 C7 110.4(4) . . ?
C9 C6 C7 115.6(4) . . ?
C8 C6 C7 85.0(3) . . ?
N2 C7 C6 88.9(3) . . ?
N2 C8 C6 89.2(3) . . ?
N2 C10 C11 108.5(4) . . ?
N3 C11 C10 107.0(4) . . ?
O2 C12 O1 124.2(4) . . ?
O2 C12 C13 119.4(3) . . ?
O1 C12 C13 116.3(3) . . ?
C15 C13 C14 119.7(3) . . ?
C15 C13 C12 120.1(3) . . ?
C14 C13 C12 120.1(3) . . ?
C15 C14 C13 119.6(3) 2_775 . ?
C13 C15 C14 120.7(3) . 2_775 ?
N4 C16 C17 123.2(5) . . ?
C18 C17 C16 118.1(5) . . ?
C17 C18 C19 119.2(5) . . ?
C20 C19 C18 120.1(5) . . ?
N4 C20 C19 121.2(4) . . ?
N4 C20 C21 116.9(3) . . ?
C19 C20 C21 122.0(4) . . ?
C20 C21 C24 113.5(4) . . ?
C20 C21 C23 112.5(3) . . ?
C24 C21 C23 116.0(4) . . ?
C20 C21 C22 111.1(4) . . ?
C24 C21 C22 116.0(4) . . ?
C23 C21 C22 84.7(3) . . ?
N5 C22 C21 89.1(3) . . ?
N5 C23 C21 89.4(3) . . ?
N5 C25 C26 108.1(4) . . ?
N6 C26 C25 106.9(4) . . ?
O5 C27 O4 121.4(3) . . ?
O5 C27 C28 120.5(3) . . ?
O4 C27 C28 118.0(3) . . ?
C30 C28 C29 119.5(3) . . ?
C30 C28 C27 120.6(4) . . ?
C29 C28 C27 119.9(3) . . ?
C30 C29 C28 120.0(4) 2_665 . ?
C29 C30 C28 120.5(4) 2_665 . ?
O6 Cl1 O7 103.7(10) . . ?
O6 Cl1 O9 110.3(5) . . ?
O7 Cl1 O9 99.6(8) . . ?
O6 Cl1 O8 119.0(5) . . ?
O7 Cl1 O8 105.6(5) . . ?
O9 Cl1 O8 115.8(4) . . ?
O11 Cl2 O13 108.7(4) . . ?
O11 Cl2 O10 110.9(5) . . ?
O13 Cl2 O10 109.3(4) . . ?
O11 Cl2 O12 110.4(3) . . ?
O13 Cl2 O12 109.1(3) . . ?
O10 Cl2 O12 108.4(3) . . ?
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
Cu1 O1 1.979(3) . ?
Cu1 N2 2.003(3) . ?
Cu1 N3 2.015(3) . ?
Cu1 N1 2.050(3) . ?
Cu1 O3 2.223(3) . ?
Cu2 O4 1.997(3) . ?
Cu2 N5 2.017(3) . ?
Cu2 N6 2.029(4) . ?
Cu2 N4 2.058(3) . ?
Cu2 Cl3 2.273(4) . ?
O1 C12 1.266(5) . ?
O2 C12 1.238(5) . ?
O3 C31 1.411(7) . ?
O4 C27 1.267(5) . ?
O5 C27 1.249(5) . ?
O6 Cl1 1.306(7) . ?
O7 Cl1 1.362(9) . ?
O8 Cl1 1.393(4) . ?
O9 Cl1 1.380(5) . ?
O10 Cl2 1.407(5) . ?
O11 Cl2 1.374(6) . ?
O12 Cl2 1.427(4) . ?
O13 Cl2 1.383(5) . ?
N1 C1 1.334(5) . ?
N1 C5 1.368(5) . ?
N2 C10 1.457(5) . ?
N2 C7 1.491(6) . ?
N2 C8 1.506(5) . ?
N3 C11 1.474(5) . ?
N4 C16 1.349(5) . ?
N4 C20 1.354(5) . ?
N5 C25 1.462(5) . ?
N5 C22 1.487(5) . ?
N5 C23 1.493(5) . ?
N6 C26 1.480(6) . ?
C1 C2 1.377(6) . ?
C2 C3 1.369(8) . ?
C3 C4 1.353(8) . ?
C4 C5 1.394(6) . ?
C5 C6 1.514(6) . ?
C6 C9 1.512(6) . ?
C6 C8 1.542(7) . ?
C6 C7 1.564(6) . ?
C10 C11 1.502(8) . ?
C12 C13 1.507(5) . ?
C13 C15 1.390(5) . ?
C13 C14 1.395(5) . ?
C14 C15 1.397(5) 2_775 ?
C15 C14 1.397(5) 2_775 ?
C16 C17 1.382(7) . ?
C17 C18 1.363(8) . ?
C18 C19 1.394(8) . ?
C19 C20 1.363(6) . ?
C20 C21 1.525(6) . ?
C21 C24 1.531(6) . ?
C21 C23 1.537(6) . ?
C21 C22 1.550(6) . ?
C25 C26 1.502(7) . ?
C27 C28 1.503(5) . ?
C28 C30 1.383(5) . ?
C28 C29 1.391(6) . ?
C29 C30 1.381(5) 2_665 ?
C30 C29 1.381(5) 2_665 ?
