#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/84/4338438.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_4338438
loop_
_publ_author_name
'Kaase, Dominic'
'Gotzmann, Carla'
'Rein, Stephan'
'Lan, Yanhua'
'Kacprzak, Sylwia'
'Klingele, Julia'
_publ_section_title
;
 [1,2,4]Triazolo[4,3-a]Pyridines as Bridging Ligands-Magnetism of
 Azole-Bridged Dinuclear Copper(II) Complexes Influenced by the Trigonal
 Distortion Parameter τ.
;
_journal_issue                   11
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5546
_journal_page_last               5555
_journal_paper_doi               10.1021/ic500226z
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety
;
 C32 H32 Cu2 N12, 4(Cl O4), 3.73(C2 H3 N), 0.8(H2 O)
;
_chemical_formula_sum            'C39.46 H44.8 Cl4 Cu2 N15.73 O16.8'
_chemical_formula_weight         1277.25
_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                108.2562(15)
_cell_angle_beta                 116.4186(14)
_cell_angle_gamma                100.4085(16)
_cell_formula_units_Z            1
_cell_length_a                   11.7929(4)
_cell_length_b                   11.9735(4)
_cell_length_c                   12.6222(4)
_cell_measurement_reflns_used    8824
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.39
_cell_measurement_theta_min      2.68
_cell_volume                     1404.39(9)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        SAINT
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX2 CCD area detector'
_diffrn_measurement_method       'f\ and ω scans'
_diffrn_radiation_monochromator  'multilayer mirror optics'
_diffrn_radiation_source         'microfused sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0335
_diffrn_reflns_av_sigmaI/netI    0.0384
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            21435
_diffrn_reflns_theta_full        26.66
_diffrn_reflns_theta_max         26.66
_diffrn_reflns_theta_min         2.84
_exptl_absorpt_coefficient_mu    1.026
_exptl_absorpt_correction_T_max  0.9410
_exptl_absorpt_correction_T_min  0.8697
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             652
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.549
_refine_diff_density_min         -0.516
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     410
_refine_ls_number_reflns         5811
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0605
_refine_ls_R_factor_gt           0.0446
_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)+(0.0513P)²+2.0903P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1086
_refine_ls_wR_factor_ref         0.1181
_reflns_number_gt                4657
_reflns_number_total             5811
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic500226z_si_004.cif
_cod_data_source_block           dkk_44
_cod_depositor_comments
;
The following automatic conversions were performed:

'_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 4338438--4338442.cif.
;
_cod_original_cell_volume        1404.39(8)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C39.46 H44.80 Cl4 Cu2 N15.73 O16.80'
_cod_database_code               4338438
loop_
_publ_contact_author
'Julia Klingele'
'Sylwia Kacprzak'
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 0.45775(4) 0.47015(3) 0.31740(3) 0.02423(12) Uani 1 1 d . . .
N1 N 0.2707(3) 0.4132(2) 0.1569(2) 0.0244(6) Uani 1 1 d . . .
N2 N 0.3432(3) 0.4579(2) 0.4002(2) 0.0256(6) Uani 1 1 d . . .
N3 N 0.3635(3) 0.4710(2) 0.5189(2) 0.0268(6) Uani 1 1 d . . .
N4 N 0.1417(3) 0.3941(2) 0.3710(2) 0.0277(6) Uani 1 1 d . . .
C1 C 0.2457(3) 0.4017(3) 0.0384(3) 0.0265(7) Uani 1 1 d . . .
C2 C 0.1130(4) 0.3722(3) -0.0623(3) 0.0314(7) Uani 1 1 d . . .
H2 H 0.0955 0.3639 -0.1460 0.038 Uiso 1 1 calc R . .
C3 C 0.0072(4) 0.3549(3) -0.0426(3) 0.0348(8) Uani 1 1 d . . .
H3 H -0.0830 0.3349 -0.1118 0.042 Uiso 1 1 calc R . .
C4 C 0.0336(4) 0.3669(3) 0.0804(3) 0.0349(8) Uani 1 1 d . . .
H4 H -0.0376 0.3561 0.0971 0.042 Uiso 1 1 calc R . .
C5 C 0.1652(3) 0.3949(3) 0.1767(3) 0.0273(7) Uani 1 1 d . . .
C6 C 0.2121(3) 0.4133(3) 0.3120(3) 0.0270(7) Uani 1 1 d . . .
C7 C 0.2405(3) 0.4327(3) 0.5013(3) 0.0271(7) Uani 1 1 d . . .
C8 C 0.2029(4) 0.4269(3) 0.5915(3) 0.0331(8) Uani 1 1 d . . .
H8 H 0.2702 0.4561 0.6822 0.040 Uiso 1 1 calc R . .
C9 C 0.0686(4) 0.3788(4) 0.5454(4) 0.0414(9) Uani 1 1 d . . .
H9 H 0.0405 0.3748 0.6044 0.050 Uiso 1 1 calc R . .
C10 C -0.0315(4) 0.3341(4) 0.4090(4) 0.0457(10) Uani 1 1 d . . .
H10 H -0.1254 0.2979 0.3779 0.055 Uiso 1 1 calc R . .
C11 C 0.0039(4) 0.3419(4) 0.3234(3) 0.0379(8) Uani 1 1 d . . .
H11 H -0.0635 0.3126 0.2327 0.045 Uiso 1 1 calc R . .
C12 C 0.3619(4) 0.4197(3) 0.0177(3) 0.0322(7) Uani 1 1 d . . .
H12A H 0.4371 0.5000 0.0890 0.048 Uiso 1 1 calc R . .
H12B H 0.3313 0.4215 -0.0675 0.048 Uiso 1 1 calc R . .
H12C H 0.3933 0.3493 0.0182 0.048 Uiso 1 1 calc R . .
N20 N 0.4865(3) 0.3121(3) 0.2361(3) 0.0312(6) Uani 1 1 d . . .
C20 C 0.5056(4) 0.2216(3) 0.2048(3) 0.0313(7) Uani 1 1 d . . .
C21 C 0.5316(5) 0.1058(3) 0.1658(4) 0.0454(10) Uani 1 1 d . . .
H21A H 0.4447 0.0342 0.0976 0.068 Uiso 1 1 calc R . .
H21B H 0.5775 0.0899 0.2428 0.068 Uiso 1 1 calc R . .
H21C H 0.5900 0.1152 0.1306 0.068 Uiso 1 1 calc R . .
N30 N 0.5127(3) 0.6441(3) 0.3232(3) 0.0343(7) Uani 1 1 d . . .
C30 C 0.5330(4) 0.7475(3) 0.3469(3) 0.0357(8) Uani 1 1 d . . .
C31 C 0.5589(5) 0.8799(3) 0.3772(4) 0.0494(10) Uani 1 1 d . . .
H31A H 0.5618 0.8949 0.3063 0.074 Uiso 1 1 calc R . .
H31B H 0.6467 0.9328 0.4610 0.074 Uiso 1 1 calc R . .
H31C H 0.4858 0.9017 0.3849 0.074 Uiso 1 1 calc R . .
Cl10 Cl 0.33590(9) 0.72915(7) 0.99460(7) 0.03142(19) Uani 1 1 d . . .
O11 O 0.3012(3) 0.6982(2) 1.0801(2) 0.0417(6) Uani 1 1 d . . .
O12 O 0.2762(3) 0.8180(2) 0.9611(2) 0.0375(6) Uani 1 1 d . . .
O13 O 0.4816(3) 0.7862(3) 1.0606(3) 0.0485(7) Uani 1 1 d . . .
O14 O 0.2824(4) 0.6172(3) 0.8753(3) 0.0585(8) Uani 1 1 d . . .
Cl20 Cl 0.75319(11) 0.23037(9) 0.56337(9) 0.0499(3) Uani 1 1 d D . .
O21 O 0.6159(4) 0.1982(6) 0.4814(4) 0.126(2) Uani 1 1 d D A .
O22 O 0.8570(4) 0.3540(3) 0.6511(4) 0.0493(12) Uani 0.699(5) 1 d PD A 1
O23 O 0.7541(5) 0.1645(4) 0.6453(4) 0.0678(16) Uani 0.699(5) 1 d PD A 1
O24 O 0.7971(5) 0.1560(4) 0.4817(5) 0.0576(14) Uani 0.699(5) 1 d PD A 1
O25 O 0.7615(10) 0.3240(8) 0.5057(10) 0.049(3) Uani 0.301(5) 1 d PD A 2
O26 O 0.7471(11) 0.3144(9) 0.6791(8) 0.060(3) Uani 0.301(5) 1 d PD A 2
O27 O 0.8492(11) 0.1773(10) 0.5891(12) 0.069(4) Uani 0.301(5) 1 d PD A 2
N50 N 0.7983(7) 0.8452(5) 0.6582(6) 0.150(3) Uani 1 1 d . . .
C50 C 0.7918(7) 0.9216(5) 0.7299(7) 0.091(2) Uani 1 1 d . . .
C51 C 0.7877(14) 1.0233(8) 0.8178(12) 0.206(7) Uani 1 1 d . . .
H51A H 0.7843 1.0025 0.8857 0.309 Uiso 1 1 calc R . .
H51B H 0.7062 1.0401 0.7697 0.309 Uiso 1 1 calc R . .
H51C H 0.8697 1.0988 0.8598 0.309 Uiso 1 1 calc R . .
N60 N 0.8269(8) 0.9273(6) 1.0749(9) 0.128(3) Uani 0.866(6) 1 d P B 1
C60 C 0.8565(11) 0.9230(11) 1.1717(9) 0.147(5) Uani 0.866(6) 1 d P B 1
C61 C 0.8884(11) 0.9514(8) 1.2936(10) 0.117(3) Uani 0.866(6) 1 d P B 1
H61A H 0.8363 0.8786 1.2948 0.176 Uiso 0.866(6) 1 calc PR B 1
H61B H 0.8662 1.0247 1.3260 0.176 Uiso 0.866(6) 1 calc PR B 1
H61C H 0.9864 0.9719 1.3505 0.176 Uiso 0.866(6) 1 calc PR B 1
O70 O 0.859(2) 0.8545(14) 1.3370(19) 0.051(7) Uani 0.134(6) 1 d PG B 2
H70A H 0.9204 0.8215 1.3600 0.076 Uiso 0.134(6) 1 d PG B 2
H70B H 0.7788 0.7943 1.2783 0.076 Uiso 0.134(6) 1 d PG B 2
O80 O 0.7855(17) 1.0129(17) 1.253(2) 0.056(7) Uani 0.134(6) 1 d PG B 2
H80A H 0.7065 0.9528 1.1898 0.084 Uiso 0.134(6) 1 d PG B 2
H80B H 0.7857 1.0438 1.3250 0.084 Uiso 0.134(6) 1 d PG B 2
O90 O 1.0311(15) 1.0575(17) 1.3867(19) 0.053(7) Uani 0.134(6) 1 d PG B 2
H90A H 1.0193 1.0916 1.4509 0.080 Uiso 0.134(6) 1 d PG B 2
H90B H 1.0395 1.1101 1.3537 0.080 Uiso 0.134(6) 1 d PG B 2
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'
Cu Cu 0.3201 1.2651 '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'
Cl Cl 0.1484 0.1585 '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'
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
N3 Cu1 N1 176.62(10) 2_666 .
N3 Cu1 N20 89.42(11) 2_666 .
N1 Cu1 N20 93.00(11) . .
N3 Cu1 N30 88.85(11) 2_666 .
N1 Cu1 N30 91.33(11) . .
N20 Cu1 N30 131.21(12) . .
N3 Cu1 N2 96.19(10) 2_666 .
N1 Cu1 N2 80.60(10) . .
N20 Cu1 N2 117.40(11) . .
N30 Cu1 N2 111.26(11) . .
C1 N1 C5 119.5(3) . .
C1 N1 Cu1 124.8(2) . .
C5 N1 Cu1 115.50(19) . .
C6 N2 N3 109.7(2) . .
C6 N2 Cu1 111.99(19) . .
N3 N2 Cu1 137.9(2) . .
C7 N3 N2 106.9(2) . .
C7 N3 Cu1 127.3(2) . 2_666
N2 N3 Cu1 125.7(2) . 2_666
C6 N4 C7 105.3(3) . .
C6 N4 C11 133.2(3) . .
C7 N4 C11 121.4(3) . .
N1 C1 C2 119.6(3) . .
N1 C1 C12 118.8(3) . .
C2 C1 C12 121.6(3) . .
C3 C2 C1 121.1(3) . .
C2 C3 C4 119.1(3) . .
C5 C4 C3 118.2(3) . .
N1 C5 C4 122.5(3) . .
N1 C5 C6 111.8(3) . .
C4 C5 C6 125.7(3) . .
N2 C6 N4 108.8(3) . .
N2 C6 C5 119.6(3) . .
N4 C6 C5 131.6(3) . .
N3 C7 N4 109.2(3) . .
N3 C7 C8 130.5(3) . .
N4 C7 C8 120.3(3) . .
C9 C8 C7 118.0(3) . .
C8 C9 C10 120.6(3) . .
C11 C10 C9 121.5(3) . .
C10 C11 N4 118.1(3) . .
C20 N20 Cu1 170.9(3) . .
N20 C20 C21 179.4(5) . .
C30 N30 Cu1 163.4(3) . .
N30 C30 C31 179.9(4) . .
O14 Cl10 O11 110.05(18) . .
O14 Cl10 O13 110.03(19) . .
O11 Cl10 O13 109.86(16) . .
O14 Cl10 O12 108.59(16) . .
O11 Cl10 O12 109.10(16) . .
O13 Cl10 O12 109.19(16) . .
O27 Cl20 O21 140.7(6) . .
O27 Cl20 O22 90.7(5) . .
O21 Cl20 O22 128.2(3) . .
O27 Cl20 O24 46.4(5) . .
O21 Cl20 O24 106.4(3) . .
O22 Cl20 O24 108.7(2) . .
O27 Cl20 O23 67.4(6) . .
O21 Cl20 O23 101.2(3) . .
O22 Cl20 O23 106.8(2) . .
O24 Cl20 O23 102.7(3) . .
O27 Cl20 O25 117.6(6) . .
O21 Cl20 O25 81.9(5) . .
O22 Cl20 O25 62.8(4) . .
O24 Cl20 O25 87.9(4) . .
O23 Cl20 O25 167.5(4) . .
O27 Cl20 O26 118.5(7) . .
O21 Cl20 O26 89.2(4) . .
O22 Cl20 O26 61.8(4) . .
O24 Cl20 O26 164.1(5) . .
O23 Cl20 O26 70.3(4) . .
O25 Cl20 O26 97.8(5) . .
N50 C50 C51 176.1(9) . .
N60 C60 C61 162.9(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N3 1.971(3) 2_666
Cu1 N1 2.012(3) .
Cu1 N20 2.019(3) .
Cu1 N30 2.034(3) .
Cu1 N2 2.053(2) .
N1 C1 1.344(4) .
N1 C5 1.368(4) .
N2 C6 1.309(4) .
N2 N3 1.359(3) .
N3 C7 1.332(4) .
N3 Cu1 1.971(3) 2_666
N4 C6 1.373(4) .
N4 C7 1.379(4) .
N4 C11 1.385(4) .
C1 C2 1.392(5) .
C1 C12 1.495(4) .
C2 C3 1.370(5) .
C3 C4 1.393(5) .
C4 C5 1.370(5) .
C5 C6 1.467(4) .
C7 C8 1.409(4) .
C8 C9 1.349(5) .
C9 C10 1.425(5) .
C10 C11 1.342(5) .
N20 C20 1.131(4) .
C20 C21 1.456(5) .
N30 C30 1.130(4) .
C30 C31 1.447(5) .
Cl10 O14 1.431(3) .
Cl10 O11 1.435(3) .
Cl10 O13 1.435(3) .
Cl10 O12 1.447(3) .
Cl20 O27 1.361(8) .
Cl20 O21 1.369(4) .
Cl20 O22 1.424(4) .
Cl20 O24 1.480(4) .
Cl20 O23 1.482(4) .
Cl20 O25 1.527(7) .
Cl20 O26 1.533(7) .
N50 C50 1.109(8) .
C50 C51 1.392(9) .
N60 C60 1.133(10) .
C60 C61 1.318(11) .
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_4
N20 Cu1 N1 C1 -67.7(3) . .
N30 Cu1 N1 C1 63.7(3) . .
N2 Cu1 N1 C1 175.1(3) . .
N20 Cu1 N1 C5 117.3(2) . .
N30 Cu1 N1 C5 -111.3(2) . .
N2 Cu1 N1 C5 0.0(2) . .
N3 Cu1 N2 C6 -176.8(2) 2_666 .
N1 Cu1 N2 C6 4.2(2) . .
N20 Cu1 N2 C6 -84.3(2) . .
N30 Cu1 N2 C6 92.0(2) . .
N3 Cu1 N2 N3 -5.2(3) 2_666 .
N1 Cu1 N2 N3 175.8(3) . .
N20 Cu1 N2 N3 87.3(3) . .
N30 Cu1 N2 N3 -96.4(3) . .
C6 N2 N3 C7 0.2(3) . .
Cu1 N2 N3 C7 -171.5(2) . .
C6 N2 N3 Cu1 178.1(2) . 2_666
Cu1 N2 N3 Cu1 6.4(4) . 2_666
C5 N1 C1 C2 0.5(4) . .
Cu1 N1 C1 C2 -174.4(2) . .
C5 N1 C1 C12 -178.9(3) . .
Cu1 N1 C1 C12 6.3(4) . .
N1 C1 C2 C3 0.1(5) . .
C12 C1 C2 C3 179.4(3) . .
C1 C2 C3 C4 -0.1(5) . .
C2 C3 C4 C5 -0.5(5) . .
C1 N1 C5 C4 -1.1(5) . .
Cu1 N1 C5 C4 174.2(3) . .
C1 N1 C5 C6 -179.1(3) . .
Cu1 N1 C5 C6 -3.8(3) . .
C3 C4 C5 N1 1.1(5) . .
C3 C4 C5 C6 178.8(3) . .
N3 N2 C6 N4 -0.8(4) . .
Cu1 N2 C6 N4 173.2(2) . .
N3 N2 C6 C5 178.1(3) . .
Cu1 N2 C6 C5 -7.9(4) . .
C7 N4 C6 N2 1.1(3) . .
C11 N4 C6 N2 -175.2(3) . .
C7 N4 C6 C5 -177.6(3) . .
C11 N4 C6 C5 6.1(6) . .
N1 C5 C6 N2 8.0(4) . .
C4 C5 C6 N2 -169.9(3) . .
N1 C5 C6 N4 -173.4(3) . .
C4 C5 C6 N4 8.7(6) . .
N2 N3 C7 N4 0.5(3) . .
Cu1 N3 C7 N4 -177.4(2) 2_666 .
N2 N3 C7 C8 -179.8(3) . .
Cu1 N3 C7 C8 2.3(5) 2_666 .
C6 N4 C7 N3 -1.0(3) . .
C11 N4 C7 N3 175.9(3) . .
C6 N4 C7 C8 179.3(3) . .
C11 N4 C7 C8 -3.8(5) . .
N3 C7 C8 C9 -177.5(4) . .
N4 C7 C8 C9 2.2(5) . .
C7 C8 C9 C10 0.7(6) . .
C8 C9 C10 C11 -2.1(7) . .
C9 C10 C11 N4 0.6(6) . .
C6 N4 C11 C10 178.2(4) . .
C7 N4 C11 C10 2.4(5) . .
N3 Cu1 N30 C30 -82.7(10) 2_666 .
N1 Cu1 N30 C30 94.0(10) . .
N20 Cu1 N30 C30 -170.9(10) . .
N2 Cu1 N30 C30 13.5(10) . .
