#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:41:30 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179488 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/85/4338520.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_4338520
loop_
_publ_author_name
'Liu, Ju-Yan'
'Wang, Qian'
'Zhang, Li-Jun'
'Yuan, Bin'
'Xu, Yao-Yao'
'Zhang, Xin'
'Zhao, Cong-Ying'
'Wang, Dan'
'Yuan, Yue'
'Wang, Ying'
'Ding, Bin'
'Zhao, Xiao-Jun'
'Yue, Min Min'
_publ_section_title
;
 Anion-Exchange and Anthracene-Encapsulation within Copper(II) and
 Manganese(II)-Triazole Metal-Organic Confined Space in a Single
 Crystal-to-Single Crystal Transformation Fashion.
;
_journal_issue                   12
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5972
_journal_page_last               5985
_journal_paper_doi               10.1021/ic500183b
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C40 H44 Cl2 Cu N12 O14'
_chemical_formula_weight         1051.31
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.169(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.6944(11)
_cell_length_b                   13.9742(14)
_cell_length_c                   15.8189(17)
_cell_measurement_reflns_used    3580
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.18
_cell_measurement_theta_min      2.52
_cell_volume                     2258.7(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0343
_diffrn_reflns_av_sigmaI/netI    0.0388
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11448
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.98
_exptl_absorpt_coefficient_mu    0.683
_exptl_absorpt_correction_T_max  0.8986
_exptl_absorpt_correction_T_min  0.8869
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            COLOURLESS
_exptl_crystal_density_diffrn    1.546
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1086
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.778
_refine_diff_density_min         -0.648
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     329
_refine_ls_number_reflns         3990
_refine_ls_number_restraints     88
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0745
_refine_ls_R_factor_gt           0.0600
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0936P)²+4.7257P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1642
_refine_ls_wR_factor_ref         0.1766
_reflns_number_gt                3210
_reflns_number_total             3990
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic500183b_si_001.cif
_cod_data_source_block           1a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4338519--4338526.cif.

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'NONE' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4338520
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'
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 0.0000 1.0000 0.0000 0.0237(2) Uani 1 2 d S . .
Cl1 Cl 0.81431(14) 0.29694(10) 0.19917(9) 0.0617(4) Uani 1 1 d D . .
O1 O 0.6777(2) 0.3239(4) 0.1660(4) 0.136(3) Uani 0.651(5) 1 d PDU A 1
O2 O 0.8921(5) 0.3805(3) 0.2354(4) 0.117(3) Uani 0.651(5) 1 d PDU A 1
O3 O 0.8574(6) 0.2578(4) 0.1277(3) 0.088(2) Uani 0.651(5) 1 d PDU A 1
O4 O 0.8302(6) 0.2255(3) 0.2680(3) 0.095(2) Uani 0.651(5) 1 d PDU A 1
O1' O 0.8719(10) 0.3717(6) 0.1590(8) 0.136(3) Uani 0.349(5) 1 d PDU A 2
O2' O 0.9047(9) 0.2709(7) 0.2840(3) 0.117(3) Uani 0.349(5) 1 d PDU A 2
O3' O 0.7873(10) 0.2140(5) 0.1417(6) 0.088(2) Uani 0.349(5) 1 d PDU A 2
O4' O 0.6933(6) 0.3316(7) 0.2119(7) 0.095(2) Uani 0.349(5) 1 d PDU A 2
O5 O -0.0683(4) 0.8781(2) 0.0839(2) 0.0561(10) Uani 1 1 d . . .
H5A H -0.0272 0.8764 0.1388 0.084 Uiso 1 1 d R . .
H5B H -0.0951 0.8217 0.0685 0.084 Uiso 1 1 d R . .
O6 O 0.8783(8) 0.6823(6) 0.0618(5) 0.158(3) Uani 1 1 d D . .
H6A H 0.8939 0.6779 0.1156 0.236 Uiso 1 1 d R . .
O7 O 0.5956(8) 0.8505(5) 0.9433(7) 0.166(4) Uani 1 1 d D . .
H7A H 0.5243 0.8736 0.9412 0.249 Uiso 1 1 calc R . .
N1 N 0.3596(3) 0.8615(3) 0.0713(2) 0.0322(8) Uani 1 1 d . . .
N2 N 0.3760(3) 0.9122(3) 0.0017(2) 0.0406(9) Uani 1 1 d . . .
N3 N 0.1779(3) 0.9381(2) 0.0168(2) 0.0263(7) Uani 1 1 d . . .
N4 N 0.7878(3) 0.6470(3) 0.2761(2) 0.0351(8) Uani 1 1 d . . .
N5 N 0.8876(4) 0.6220(3) 0.2440(3) 0.0494(11) Uani 1 1 d . . .
N6 N 0.9231(3) 0.5691(2) 0.3829(2) 0.0301(8) Uani 1 1 d . . .
C1 C 0.2639(4) 0.9563(3) -0.0286(3) 0.0384(10) Uani 1 1 d . . .
H1 H 0.2451 0.9968 -0.0774 0.046 Uiso 1 1 calc R . .
C2 C 0.2420(4) 0.8779(3) 0.0796(3) 0.0324(9) Uani 1 1 d . . .
H2 H 0.2093 0.8514 0.1227 0.039 Uiso 1 1 calc R . .
C3 C 0.4670(4) 0.8054(3) 0.1262(3) 0.0312(9) Uani 1 1 d . . .
C4 C 0.5734(4) 0.8555(3) 0.1805(3) 0.0321(9) Uani 1 1 d . . .
C5 C 0.5780(5) 0.9574(3) 0.1884(3) 0.0400(10) Uani 1 1 d . . .
H5 H 0.5061 0.9935 0.1572 0.048 Uiso 1 1 calc R . .
C6 C 0.6856(6) 1.0022(4) 0.2406(4) 0.0505(13) Uani 1 1 d . . .
H6 H 0.6874 1.0686 0.2449 0.061 Uiso 1 1 calc R . .
C7 C 0.7954(5) 0.9475(4) 0.2885(3) 0.0542(14) Uani 1 1 d . . .
H7 H 0.8695 0.9787 0.3234 0.065 Uiso 1 1 calc R . .
C8 C 0.7943(5) 0.8513(4) 0.2845(3) 0.0451(12) Uani 1 1 d . . .
H8 H 0.8671 0.8171 0.3173 0.054 Uiso 1 1 calc R . .
C9 C 0.6840(4) 0.8015(3) 0.2310(3) 0.0332(10) Uani 1 1 d . . .
C10 C 0.6778(4) 0.7013(3) 0.2236(3) 0.0326(10) Uani 1 1 d . . .
C11 C 0.5728(4) 0.6520(3) 0.1685(3) 0.0326(9) Uani 1 1 d . . .
C12 C 0.5712(5) 0.5509(3) 0.1576(3) 0.0430(11) Uani 1 1 d . . .
H12 H 0.6421 0.5149 0.1904 0.052 Uiso 1 1 calc R . .
C13 C 0.4691(6) 0.5064(4) 0.1007(4) 0.0530(13) Uani 1 1 d . . .
H13 H 0.4702 0.4403 0.0945 0.064 Uiso 1 1 calc R . .
C14 C 0.3593(5) 0.5599(4) 0.0500(3) 0.0510(13) Uani 1 1 d . . .
H14 H 0.2892 0.5284 0.0108 0.061 Uiso 1 1 calc R . .
C15 C 0.3561(4) 0.6561(4) 0.0582(3) 0.0420(11) Uani 1 1 d . . .
H15 H 0.2835 0.6900 0.0246 0.050 Uiso 1 1 calc R . .
C16 C 0.4615(4) 0.7060(3) 0.1170(3) 0.0316(9) Uani 1 1 d . . .
C17 C 0.9666(4) 0.5763(4) 0.3110(3) 0.0467(12) Uani 1 1 d . . .
H17 H 1.0462 0.5508 0.3093 0.056 Uiso 1 1 calc R . .
C18 C 0.8105(4) 0.6149(3) 0.3580(3) 0.0356(10) Uani 1 1 d . . .
H18 H 0.7550 0.6235 0.3929 0.043 Uiso 1 1 calc R . .
C19 C 0.9844(10) 0.6358(8) 0.0345(6) 0.127(4) Uani 1 1 d D . .
H19A H 1.0084 0.6756 -0.0077 0.191 Uiso 1 1 calc R . .
H19B H 0.9547 0.5749 0.0080 0.191 Uiso 1 1 calc R . .
H19C H 1.0590 0.6266 0.0854 0.191 Uiso 1 1 calc R . .
C20 C 0.5832(12) 0.7520(7) 0.9322(9) 0.157(6) Uani 1 1 d D . .
H20A H 0.6667 0.7222 0.9580 0.235 Uiso 1 1 calc R . .
H20B H 0.5529 0.7372 0.8702 0.235 Uiso 1 1 calc R . .
H20C H 0.5215 0.7284 0.9606 0.235 Uiso 1 1 calc R . .
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'
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'
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
N3 Cu1 N3 180.00(16) 3_575 .
N3 Cu1 N6 88.39(13) 3_575 4_475
N3 Cu1 N6 91.61(13) . 4_475
N3 Cu1 N6 91.61(13) 3_575 2_655
N3 Cu1 N6 88.39(13) . 2_655
N6 Cu1 N6 180.00(18) 4_475 2_655
N3 Cu1 O5 87.03(13) 3_575 .
N3 Cu1 O5 92.97(13) . .
N6 Cu1 O5 93.39(13) 4_475 .
N6 Cu1 O5 86.61(13) 2_655 .
N3 Cu1 O5 92.97(13) 3_575 3_575
N3 Cu1 O5 87.03(13) . 3_575
N6 Cu1 O5 86.61(13) 4_475 3_575
N6 Cu1 O5 93.39(14) 2_655 3_575
O5 Cu1 O5 180.0 . 3_575
O3 Cl1 O1 109.56(8) . .
O3 Cl1 O3' 42.1(5) . .
O1 Cl1 O3' 89.3(5) . .
O3 Cl1 O2' 110.4(5) . .
O1 Cl1 O2' 136.5(5) . .
O3' Cl1 O2' 109.55(8) . .
O3 Cl1 O2 109.53(8) . .
O1 Cl1 O2 109.49(8) . .
O3' Cl1 O2 151.3(5) . .
O2' Cl1 O2 71.8(4) . .
O3 Cl1 O4' 137.5(5) . .
O1 Cl1 O4' 28.1(5) . .
O3' Cl1 O4' 109.48(8) . .
O2' Cl1 O4' 109.49(8) . .
O2 Cl1 O4' 96.2(5) . .
O3 Cl1 O1' 69.9(5) . .
O1 Cl1 O1' 99.6(5) . .
O3' Cl1 O1' 109.45(8) . .
O2' Cl1 O1' 109.46(8) . .
O2 Cl1 O1' 47.5(4) . .
O4' Cl1 O1' 109.40(8) . .
O3 Cl1 O4 109.45(8) . .
O1 Cl1 O4 109.42(8) . .
O3' Cl1 O4 83.0(4) . .
O2' Cl1 O4 40.0(4) . .
O2 Cl1 O4 109.36(8) . .
O4' Cl1 O4 92.1(5) . .
O1' Cl1 O4 148.7(5) . .
Cu1 O5 H5A 115.8 . .
Cu1 O5 H5B 129.1 . .
H5A O5 H5B 107.2 . .
C19 O6 H6A 109.4 . .
C20 O7 H7A 109.5 . .
C2 N1 N2 110.0(3) . .
C2 N1 C3 130.1(4) . .
N2 N1 C3 119.8(3) . .
C1 N2 N1 102.7(3) . .
C2 N3 C1 103.6(3) . .
C2 N3 Cu1 128.6(3) . .
C1 N3 Cu1 127.5(3) . .
C18 N4 N5 110.0(3) . .
C18 N4 C10 128.7(4) . .
N5 N4 C10 121.3(3) . .
C17 N5 N4 102.3(4) . .
C18 N6 C17 102.9(3) . .
C18 N6 Cu1 126.3(3) . 2_645
C17 N6 Cu1 130.8(3) . 2_645
N2 C1 N3 114.3(4) . .
N2 C1 H1 122.9 . .
N3 C1 H1 122.9 . .
N1 C2 N3 109.4(4) . .
N1 C2 H2 125.3 . .
N3 C2 H2 125.3 . .
C4 C3 C16 124.4(4) . .
C4 C3 N1 117.1(4) . .
C16 C3 N1 118.3(4) . .
C3 C4 C5 123.7(4) . .
C3 C4 C9 118.0(4) . .
C5 C4 C9 118.4(4) . .
C6 C5 C4 121.0(4) . .
C6 C5 H5 119.5 . .
C4 C5 H5 119.5 . .
C5 C6 C7 119.8(5) . .
C5 C6 H6 120.1 . .
C7 C6 H6 120.1 . .
C8 C7 C6 121.3(5) . .
C8 C7 H7 119.4 . .
C6 C7 H7 119.4 . .
C7 C8 C9 120.9(5) . .
C7 C8 H8 119.5 . .
C9 C8 H8 119.5 . .
C10 C9 C8 123.4(4) . .
C10 C9 C4 117.9(4) . .
C8 C9 C4 118.7(4) . .
C11 C10 C9 123.9(4) . .
C11 C10 N4 118.2(4) . .
C9 C10 N4 117.8(4) . .
C10 C11 C12 123.3(4) . .
C10 C11 C16 118.4(4) . .
C12 C11 C16 118.2(4) . .
C13 C12 C11 121.3(4) . .
C13 C12 H12 119.4 . .
C11 C12 H12 119.4 . .
C12 C13 C14 120.4(5) . .
C12 C13 H13 119.8 . .
C14 C13 H13 119.8 . .
C15 C14 C13 120.6(5) . .
C15 C14 H14 119.7 . .
C13 C14 H14 119.7 . .
C14 C15 C16 121.0(4) . .
C14 C15 H15 119.5 . .
C16 C15 H15 119.5 . .
C3 C16 C15 124.0(4) . .
C3 C16 C11 117.4(4) . .
C15 C16 C11 118.5(4) . .
N5 C17 N6 114.6(4) . .
N5 C17 H17 122.7 . .
N6 C17 H17 122.7 . .
N6 C18 N4 110.2(4) . .
N6 C18 H18 124.9 . .
N4 C18 H18 124.9 . .
O6 C19 H19A 109.5 . .
O6 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
O6 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
O7 C20 H20A 109.5 . .
O7 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
O7 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N3 2.034(3) 3_575
Cu1 N3 2.034(3) .
Cu1 N6 2.035(3) 4_475
Cu1 N6 2.035(3) 2_655
Cu1 O5 2.402(3) .
Cu1 O5 2.402(3) 3_575
Cl1 O3 1.4484(11) .
Cl1 O1 1.4488(11) .
Cl1 O3' 1.4492(11) .
Cl1 O2' 1.4492(11) .
Cl1 O2 1.4494(11) .
Cl1 O4' 1.4500(11) .
Cl1 O1' 1.4505(11) .
Cl1 O4 1.4507(11) .
O5 H5A 0.8500 .
O5 H5B 0.8500 .
O6 C19 1.478(8) .
O6 H6A 0.8200 .
O7 C20 1.389(8) .
O7 H7A 0.8200 .
N1 C2 1.323(5) .
N1 N2 1.363(5) .
N1 C3 1.448(5) .
N2 C1 1.307(5) .
N3 C2 1.328(5) .
N3 C1 1.348(5) .
N4 C18 1.324(5) .
N4 N5 1.356(5) .
N4 C10 1.440(5) .
N5 C17 1.310(6) .
N6 C18 1.316(5) .
N6 C17 1.355(6) .
N6 Cu1 2.035(3) 2_645
C1 H1 0.9300 .
C2 H2 0.9300 .
C3 C4 1.395(6) .
C3 C16 1.395(6) .
C4 C5 1.429(6) .
C4 C9 1.432(6) .
C5 C6 1.355(7) .
C5 H5 0.9300 .
C6 C7 1.419(8) .
C6 H6 0.9300 .
C7 C8 1.345(8) .
C7 H7 0.9300 .
C8 C9 1.415(6) .
C8 H8 0.9300 .
C9 C10 1.405(6) .
C10 C11 1.384(6) .
C11 C12 1.422(6) .
C11 C16 1.442(5) .
C12 C13 1.345(7) .
C12 H12 0.9300 .
C13 C14 1.423(7) .
C13 H13 0.9300 .
C14 C15 1.352(7) .
C14 H14 0.9300 .
C15 C16 1.416(6) .
C15 H15 0.9300 .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
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
C2 N1 N2 C1 -0.5(5) .
C3 N1 N2 C1 -177.0(4) .
N3 Cu1 N3 C2 25.6(16) 3_575
N6 Cu1 N3 C2 -116.1(4) 4_475
N6 Cu1 N3 C2 63.9(4) 2_655
O5 Cu1 N3 C2 -22.6(4) .
O5 Cu1 N3 C2 157.4(4) 3_575
N3 Cu1 N3 C1 -147.2(16) 3_575
N6 Cu1 N3 C1 71.1(4) 4_475
N6 Cu1 N3 C1 -108.9(4) 2_655
O5 Cu1 N3 C1 164.6(4) .
O5 Cu1 N3 C1 -15.4(4) 3_575
C18 N4 N5 C17 -0.8(6) .
C10 N4 N5 C17 178.8(4) .
N1 N2 C1 N3 0.5(5) .
C2 N3 C1 N2 -0.3(5) .
Cu1 N3 C1 N2 174.0(3) .
N2 N1 C2 N3 0.4(5) .
C3 N1 C2 N3 176.4(4) .
C1 N3 C2 N1 -0.1(5) .
Cu1 N3 C2 N1 -174.2(3) .
C2 N1 C3 C4 -105.8(5) .
N2 N1 C3 C4 69.9(5) .
C2 N1 C3 C16 78.4(6) .
N2 N1 C3 C16 -105.9(5) .
C16 C3 C4 C5 179.4(4) .
N1 C3 C4 C5 3.8(6) .
C16 C3 C4 C9 -0.6(6) .
N1 C3 C4 C9 -176.2(3) .
C3 C4 C5 C6 -178.3(4) .
C9 C4 C5 C6 1.7(7) .
C4 C5 C6 C7 -0.3(8) .
C5 C6 C7 C8 -1.1(8) .
C6 C7 C8 C9 1.0(8) .
C7 C8 C9 C10 179.4(5) .
C7 C8 C9 C4 0.5(7) .
C3 C4 C9 C10 -0.8(6) .
C5 C4 C9 C10 179.2(4) .
C3 C4 C9 C8 178.2(4) .
C5 C4 C9 C8 -1.8(6) .
C8 C9 C10 C11 -177.1(4) .
C4 C9 C10 C11 1.8(6) .
C8 C9 C10 N4 2.6(6) .
C4 C9 C10 N4 -178.5(4) .
C18 N4 C10 C11 -92.6(6) .
N5 N4 C10 C11 87.9(5) .
C18 N4 C10 C9 87.7(6) .
N5 N4 C10 C9 -91.8(5) .
C9 C10 C11 C12 176.0(4) .
N4 C10 C11 C12 -3.7(6) .
C9 C10 C11 C16 -1.4(6) .
N4 C10 C11 C16 178.9(4) .
C10 C11 C12 C13 -177.3(5) .
C16 C11 C12 C13 0.2(7) .
C11 C12 C13 C14 -0.2(8) .
C12 C13 C14 C15 0.0(9) .
C13 C14 C15 C16 0.2(8) .
C4 C3 C16 C15 -176.4(4) .
N1 C3 C16 C15 -1.0(6) .
C4 C3 C16 C11 1.0(6) .
N1 C3 C16 C11 176.5(3) .
C14 C15 C16 C3 177.3(5) .
C14 C15 C16 C11 -0.2(7) .
C10 C11 C16 C3 0.0(6) .
C12 C11 C16 C3 -177.6(4) .
C10 C11 C16 C15 177.6(4) .
C12 C11 C16 C15 0.0(6) .
N4 N5 C17 N6 1.0(6) .
C18 N6 C17 N5 -0.9(6) .
Cu1 N6 C17 N5 175.8(3) 2_645
C17 N6 C18 N4 0.3(5) .
Cu1 N6 C18 N4 -176.6(3) 2_645
N5 N4 C18 N6 0.3(5) .
C10 N4 C18 N6 -179.2(4) .
