#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/17/2221749.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2221749
loop_
_publ_author_name
'Kargar, Hadi'
'Kia, Reza'
'Fun, Hoong-Kun'
'Jamshidvand, Arezoo'
_publ_section_title
;{6,6'-Diethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}copper(II)
 monohydrate
;
_journal_coeditor_code           KJ2122
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m515
_journal_page_last               m516
_journal_paper_doi               10.1107/S1600536809012859
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Cu (C23 H28 N2 O4)], H2 O'
_chemical_formula_moiety         'C23 H28 Cu N2 O4, H2 O'
_chemical_formula_sum            'C23 H30 Cu N2 O5'
_chemical_formula_weight         478.03
_chemical_name_systematic
'{6,6'-Diethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}copper(II) monohydrate'
_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                114.554(13)
_cell_angle_beta                 99.479(14)
_cell_angle_gamma                102.676(14)
_cell_formula_units_Z            2
_cell_length_a                   9.427(3)
_cell_length_b                   10.805(3)
_cell_length_c                   12.771(4)
_cell_measurement_reflns_used    9641
_cell_measurement_temperature    100
_cell_measurement_theta_max      36.47
_cell_measurement_theta_min      2.50
_cell_volume                     1105.3(6)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
;
SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)
;
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type
;
Bruker SMART APEXII CCD area-detector
;
_diffrn_measurement_method       'φ and ω'
_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  0.0286
_diffrn_reflns_av_sigmaI/netI    0.0261
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            36656
_diffrn_reflns_theta_full        32.50
_diffrn_reflns_theta_max         32.50
_diffrn_reflns_theta_min         2.09
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.025
_exptl_absorpt_correction_T_max  0.8614
_exptl_absorpt_correction_T_min  0.6282
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             502
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.576
_refine_diff_density_min         -0.297
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     290
_refine_ls_number_reflns         7929
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0350
_refine_ls_R_factor_gt           0.0290
_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)+(0.035P)²+0.4488P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0737
_refine_ls_wR_factor_ref         0.0771
_reflns_number_gt                6977
_reflns_number_total             7929
_reflns_threshold_expression     I>2Ĭ)
_cod_data_source_file            kj2122.cif
_cod_data_source_block           I
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

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.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2221749
_cod_database_fobs_code          2221749
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu Cu1 0.234895(16) 0.580803(14) 0.526101(11) 0.01366(4) Uani d . 1 . .
O O1 0.29055(10) 0.46744(9) 0.59658(7) 0.01601(15) Uani d . 1 . .
O O2 0.25360(10) 0.72661(9) 0.68076(7) 0.01635(16) Uani d . 1 . .
O O3 0.30299(10) 0.32190(9) 0.71356(7) 0.01808(16) Uani d . 1 . .
O O4 0.28979(11) 0.88036(9) 0.90698(7) 0.01849(16) Uani d . 1 . .
N N1 0.28983(11) 0.47831(10) 0.38154(8) 0.01475(17) Uani d . 1 . .
N N2 0.09621(11) 0.64285(10) 0.44256(8) 0.01524(17) Uani d . 1 . .
C C1 0.32220(13) 0.34876(12) 0.54318(10) 0.01426(19) Uani d . 1 . .
C C2 0.33163(13) 0.26509(12) 0.60485(10) 0.01502(19) Uani d . 1 . .
C C3 0.36453(14) 0.13847(13) 0.55507(11) 0.0185(2) Uani d . 1 . .
H H3A 0.3662 0.0827 0.5961 0.022 Uiso calc R 1 . .
C C4 0.39567(15) 0.09205(13) 0.44348(11) 0.0213(2) Uani d . 1 . .
H H4A 0.4200 0.0056 0.4097 0.026 Uiso calc R 1 . .
C C5 0.39097(15) 0.17149(13) 0.38339(10) 0.0195(2) Uani d . 1 . .
H H5A 0.4155 0.1411 0.3094 0.023 Uiso calc R 1 . .
C C6 0.35016(14) 0.29772(12) 0.42996(10) 0.0157(2) Uani d . 1 . .
C C7 0.34006(13) 0.37055(12) 0.35797(10) 0.0161(2) Uani d . 1 . .
H H7A 0.3729 0.3366 0.2877 0.019 Uiso calc R 1 . .
C C8 0.29016(14) 0.54430(13) 0.30186(10) 0.0167(2) Uani d . 1 . .
H H8A 0.3433 0.5009 0.2424 0.020 Uiso calc R 1 . .
H H8B 0.3475 0.6481 0.3501 0.020 Uiso calc R 1 . .
C C9 0.12840(14) 0.52549(13) 0.23410(10) 0.0162(2) Uani d . 1 . .
C C10 0.02042(13) 0.54321(13) 0.31412(10) 0.0168(2) Uani d . 1 . .
H H10A -0.0582 0.5781 0.2848 0.020 Uiso calc R 1 . .
H H10B -0.0317 0.4478 0.3054 0.020 Uiso calc R 1 . .
C C11 0.04829(13) 0.75010(12) 0.49386(10) 0.0165(2) Uani d . 1 . .
H H11A -0.0189 0.7694 0.4429 0.020 Uiso calc R 1 . .
C C12 0.08778(13) 0.84286(12) 0.62132(10) 0.0160(2) Uani d . 1 . .
C C13 0.01217(14) 0.94670(13) 0.65979(11) 0.0197(2) Uani d . 1 . .
H H13A -0.0506 0.9603 0.6019 0.024 Uiso calc R 1 . .
C C14 0.02888(15) 1.02735(13) 0.77935(12) 0.0218(2) Uani d . 1 . .
H H14A -0.0230 1.0958 0.8041 0.026 Uiso calc R 1 . .
C C15 0.12292(15) 1.00898(13) 0.86580(11) 0.0198(2) Uani d . 1 . .
H H15A 0.1347 1.0657 0.9488 0.024 Uiso calc R 1 . .
C C16 0.19833(14) 0.90889(12) 0.83082(10) 0.0160(2) Uani d . 1 . .
C C17 0.18268(13) 0.82185(12) 0.70661(10) 0.01464(19) Uani d . 1 . .
C C18 0.35853(15) 0.27727(14) 0.79952(11) 0.0194(2) Uani d . 1 . .
H H18A 0.4697 0.2970 0.8158 0.023 Uiso calc R 1 . .
H H18B 0.3091 0.1731 0.7685 0.023 Uiso calc R 1 . .
C C19 0.32030(16) 0.36231(15) 0.91229(11) 0.0232(2) Uani d . 1 . .
H H19A 0.3624 0.3404 0.9756 0.035 Uiso calc R 1 . .
H H19B 0.2097 0.3367 0.8961 0.035 Uiso calc R 1 . .
H H19C 0.3639 0.4652 0.9386 0.035 Uiso calc R 1 . .
C C20 0.29694(16) 0.94726(13) 1.03175(10) 0.0213(2) Uani d . 1 . .
H H20A 0.1935 0.9300 1.0414 0.026 Uiso calc R 1 . .
H H20B 0.3479 1.0522 1.0691 0.026 Uiso calc R 1 . .
C C21 0.38663(17) 0.88079(14) 1.08999(11) 0.0240(3) Uani d . 1 . .
H H21A 0.3850 0.9158 1.1738 0.036 Uiso calc R 1 . .
H H21B 0.4918 0.9075 1.0875 0.036 Uiso calc R 1 . .
H H21C 0.3412 0.7760 1.0465 0.036 Uiso calc R 1 . .
C C22 0.05721(16) 0.37457(14) 0.12689(11) 0.0237(2) Uani d . 1 . .
H H22A -0.0450 0.3641 0.0848 0.036 Uiso calc R 1 . .
H H22B 0.0510 0.3029 0.1556 0.036 Uiso calc R 1 . .
H H22C 0.1201 0.3602 0.0716 0.036 Uiso calc R 1 . .
C C23 0.14514(17) 0.63837(16) 0.19007(13) 0.0265(3) Uani d . 1 . .
H H23A 0.0448 0.6304 0.1467 0.040 Uiso calc R 1 . .
H H23B 0.2098 0.6225 0.1362 0.040 Uiso calc R 1 . .
H H23C 0.1916 0.7345 0.2591 0.040 Uiso calc R 1 . .
O O1W 0.54758(13) 0.33956(12) 0.15477(9) 0.0257(2) Uani d . 1 . .
H H2W1 0.592(2) 0.287(2) 0.1566(18) 0.038(5) Uiso d . 1 . .
H H1W1 0.595(2) 0.409(2) 0.2094(19) 0.037(5) Uiso d . 1 . .
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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O2 Cu1 O1 . . 89.59(4) ?
O2 Cu1 N1 . . 158.91(4) ?
O1 Cu1 N1 . . 93.25(4) ?
O2 Cu1 N2 . . 93.89(4) ?
O1 Cu1 N2 . . 156.16(4) ?
N1 Cu1 N2 . . 91.92(5) ?
C1 O1 Cu1 . . 126.73(7) ?
C17 O2 Cu1 . . 127.10(8) ?
C2 O3 C18 . . 117.73(9) ?
C16 O4 C20 . . 118.24(9) ?
C7 N1 C8 . . 119.06(10) ?
C7 N1 Cu1 . . 126.05(8) ?
C8 N1 Cu1 . . 114.43(8) ?
C11 N2 C10 . . 117.74(10) ?
C11 N2 Cu1 . . 125.32(8) ?
C10 N2 Cu1 . . 115.96(8) ?
O1 C1 C6 . . 124.96(10) ?
O1 C1 C2 . . 117.64(10) ?
C6 C1 C2 . . 117.40(10) ?
O3 C2 C3 . . 124.88(10) ?
O3 C2 C1 . . 113.66(10) ?
C3 C2 C1 . . 121.45(10) ?
C2 C3 C4 . . 119.90(11) ?
C2 C3 H3A . . 120.0 ?
C4 C3 H3A . . 120.0 ?
C5 C4 C3 . . 120.03(11) ?
C5 C4 H4A . . 120.0 ?
C3 C4 H4A . . 120.0 ?
C4 C5 C6 . . 120.94(11) ?
C4 C5 H5A . . 119.5 ?
C6 C5 H5A . . 119.5 ?
C1 C6 C5 . . 120.15(10) ?
C1 C6 C7 . . 122.48(10) ?
C5 C6 C7 . . 117.36(10) ?
N1 C7 C6 . . 125.07(10) ?
N1 C7 H7A . . 117.5 ?
C6 C7 H7A . . 117.5 ?
N1 C8 C9 . . 112.96(10) ?
N1 C8 H8A . . 109.0 ?
C9 C8 H8A . . 109.0 ?
N1 C8 H8B . . 109.0 ?
C9 C8 H8B . . 109.0 ?
H8A C8 H8B . . 107.8 ?
C23 C9 C22 . . 110.02(10) ?
C23 C9 C10 . . 110.56(10) ?
C22 C9 C10 . . 106.70(10) ?
C23 C9 C8 . . 106.81(10) ?
C22 C9 C8 . . 110.29(10) ?
C10 C9 C8 . . 112.48(9) ?
N2 C10 C9 . . 114.22(10) ?
N2 C10 H10A . . 108.7 ?
C9 C10 H10A . . 108.7 ?
N2 C10 H10B . . 108.7 ?
C9 C10 H10B . . 108.7 ?
H10A C10 H10B . . 107.6 ?
N2 C11 C12 . . 125.77(11) ?
N2 C11 H11A . . 117.1 ?
C12 C11 H11A . . 117.1 ?
C17 C12 C13 . . 120.39(11) ?
C17 C12 C11 . . 122.37(10) ?
C13 C12 C11 . . 116.79(10) ?
C14 C13 C12 . . 120.65(11) ?
C14 C13 H13A . . 119.7 ?
C12 C13 H13A . . 119.7 ?
C13 C14 C15 . . 120.06(11) ?
C13 C14 H14A . . 120.0 ?
C15 C14 H14A . . 120.0 ?
C16 C15 C14 . . 120.49(11) ?
C16 C15 H15A . . 119.8 ?
C14 C15 H15A . . 119.8 ?
O4 C16 C15 . . 125.27(10) ?
O4 C16 C17 . . 113.69(10) ?
C15 C16 C17 . . 121.03(11) ?
O2 C17 C12 . . 125.30(10) ?
O2 C17 C16 . . 117.30(10) ?
C12 C17 C16 . . 117.38(10) ?
O3 C18 C19 . . 106.52(10) ?
O3 C18 H18A . . 110.4 ?
C19 C18 H18A . . 110.4 ?
O3 C18 H18B . . 110.4 ?
C19 C18 H18B . . 110.4 ?
H18A C18 H18B . . 108.6 ?
C18 C19 H19A . . 109.5 ?
C18 C19 H19B . . 109.5 ?
H19A C19 H19B . . 109.5 ?
C18 C19 H19C . . 109.5 ?
H19A C19 H19C . . 109.5 ?
H19B C19 H19C . . 109.5 ?
O4 C20 C21 . . 106.68(10) ?
O4 C20 H20A . . 110.4 ?
C21 C20 H20A . . 110.4 ?
O4 C20 H20B . . 110.4 ?
C21 C20 H20B . . 110.4 ?
H20A C20 H20B . . 108.6 ?
C20 C21 H21A . . 109.5 ?
C20 C21 H21B . . 109.5 ?
H21A C21 H21B . . 109.5 ?
C20 C21 H21C . . 109.5 ?
H21A C21 H21C . . 109.5 ?
H21B C21 H21C . . 109.5 ?
C9 C22 H22A . . 109.5 ?
C9 C22 H22B . . 109.5 ?
H22A C22 H22B . . 109.5 ?
C9 C22 H22C . . 109.5 ?
H22A C22 H22C . . 109.5 ?
H22B C22 H22C . . 109.5 ?
C9 C23 H23A . . 109.5 ?
C9 C23 H23B . . 109.5 ?
H23A C23 H23B . . 109.5 ?
C9 C23 H23C . . 109.5 ?
H23A C23 H23C . . 109.5 ?
H23B C23 H23C . . 109.5 ?
H2W1 O1W H1W1 . . 103(2) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cu1 O2 . 1.8952(10) ?
Cu1 O1 . 1.9049(9) ?
Cu1 N1 . 1.9417(11) ?
Cu1 N2 . 1.9536(11) ?
O1 C1 . 1.3064(13) ?
O2 C17 . 1.3066(13) ?
O3 C2 . 1.3656(14) ?
O3 C18 . 1.4398(14) ?
O4 C16 . 1.3689(14) ?
O4 C20 . 1.4326(14) ?
N1 C7 . 1.2915(15) ?
N1 C8 . 1.4653(15) ?
N2 C11 . 1.2933(15) ?
N2 C10 . 1.4728(15) ?
C1 C6 . 1.4109(15) ?
C1 C2 . 1.4317(15) ?
C2 C3 . 1.3786(16) ?
C3 C4 . 1.4061(17) ?
C3 H3A . 0.9500 ?
C4 C5 . 1.3713(18) ?
C4 H4A . 0.9500 ?
C5 C6 . 1.4120(16) ?
C5 H5A . 0.9500 ?
C6 C7 . 1.4418(16) ?
C7 H7A . 0.9500 ?
C8 C9 . 1.5487(17) ?
C8 H8A . 0.9900 ?
C8 H8B . 0.9900 ?
C9 C23 . 1.5308(17) ?
C9 C22 . 1.5315(18) ?
C9 C10 . 1.5436(16) ?
C10 H10A . 0.9900 ?
C10 H10B . 0.9900 ?
C11 C12 . 1.4400(16) ?
C11 H11A . 0.9500 ?
C12 C17 . 1.4185(16) ?
C12 C13 . 1.4200(16) ?
C13 C14 . 1.3675(18) ?
C13 H13A . 0.9500 ?
C14 C15 . 1.4076(18) ?
C14 H14A . 0.9500 ?
C15 C16 . 1.3838(16) ?
C15 H15A . 0.9500 ?
C16 C17 . 1.4299(16) ?
C18 C19 . 1.5049(18) ?
C18 H18A . 0.9900 ?
C18 H18B . 0.9900 ?
C19 H19A . 0.9800 ?
C19 H19B . 0.9800 ?
C19 H19C . 0.9800 ?
C20 C21 . 1.5123(19) ?
C20 H20A . 0.9900 ?
C20 H20B . 0.9900 ?
C21 H21A . 0.9800 ?
C21 H21B . 0.9800 ?
C21 H21C . 0.9800 ?
C22 H22A . 0.9800 ?
C22 H22B . 0.9800 ?
C22 H22C . 0.9800 ?
C23 H23A . 0.9800 ?
C23 H23B . 0.9800 ?
C23 H23C . 0.9800 ?
O1W H2W1 . 0.78(2) ?
O1W H1W1 . 0.75(2) ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
O1W H2W1 O2 2_666 0.78(2) 2.41(2) 2.9959(18) 132.8(18) y
O1W H2W1 O4 2_666 0.78(2) 2.27(2) 3.0097(19) 159(2) y
O1W H1W1 O1 2_666 0.75(2) 2.20(2) 2.8749(16) 151(2) y
O1W H1W1 O3 2_666 0.75(2) 2.54(2) 3.1684(19) 143(2) y
C7 H7A O1W . 0.9500 2.5600 3.451(2) 157.00 y
C10 H10B O2 2_566 0.9900 2.5700 3.476(2) 151.00 y
C8 H8B Cg1 2_666 0.99 2.78 3.4918(19) 129 y
C13 H13A Cg1 2_566 0.95 2.85 3.3718(18) 116 y
C18 H18B Cg2 1_545 0.99 2.79 3.718(2) 157 y
loop_
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O2 Cu1 O1 C1 . . . . -170.54(10) ?
N1 Cu1 O1 C1 . . . . -11.46(10) ?
N2 Cu1 O1 C1 . . . . 90.74(13) ?
O1 Cu1 O2 C17 . . . . -153.04(10) ?
N1 Cu1 O2 C17 . . . . 108.98(13) ?
N2 Cu1 O2 C17 . . . . 3.35(10) ?
O2 Cu1 N1 C7 . . . . 99.12(14) ?
O1 Cu1 N1 C7 . . . . 1.82(10) ?
N2 Cu1 N1 C7 . . . . -154.90(10) ?
O2 Cu1 N1 C8 . . . . -72.98(14) ?
O1 Cu1 N1 C8 . . . . -170.28(8) ?
N2 Cu1 N1 C8 . . . . 33.01(8) ?
O2 Cu1 N2 C11 . . . . -0.13(10) ?
O1 Cu1 N2 C11 . . . . 97.69(13) ?
N1 Cu1 N2 C11 . . . . -159.83(10) ?
O2 Cu1 N2 C10 . . . . -168.46(8) ?
O1 Cu1 N2 C10 . . . . -70.64(13) ?
N1 Cu1 N2 C10 . . . . 31.83(8) ?
Cu1 O1 C1 C6 . . . . 13.28(17) ?
Cu1 O1 C1 C2 . . . . -167.75(8) ?
C18 O3 C2 C3 . . . . 21.84(17) ?
C18 O3 C2 C1 . . . . -159.14(10) ?
O1 C1 C2 O3 . . . . 0.97(15) ?
C6 C1 C2 O3 . . . . -179.98(10) ?
O1 C1 C2 C3 . . . . -179.98(11) ?
C6 C1 C2 C3 . . . . -0.92(17) ?
O3 C2 C3 C4 . . . . -178.50(11) ?
C1 C2 C3 C4 . . . . 2.56(19) ?
C2 C3 C4 C5 . . . . -1.0(2) ?
C3 C4 C5 C6 . . . . -2.1(2) ?
O1 C1 C6 C5 . . . . 176.78(11) ?
C2 C1 C6 C5 . . . . -2.20(17) ?
O1 C1 C6 C7 . . . . -2.71(19) ?
C2 C1 C6 C7 . . . . 178.31(11) ?
C4 C5 C6 C1 . . . . 3.77(19) ?
C4 C5 C6 C7 . . . . -176.71(12) ?
C8 N1 C7 C6 . . . . 178.29(11) ?
Cu1 N1 C7 C6 . . . . 6.52(17) ?
C1 C6 C7 N1 . . . . -7.79(19) ?
C5 C6 C7 N1 . . . . 172.71(12) ?
C7 N1 C8 C9 . . . . 114.46(12) ?
Cu1 N1 C8 C9 . . . . -72.85(11) ?
N1 C8 C9 C23 . . . . 161.31(10) ?
N1 C8 C9 C22 . . . . -79.16(12) ?
N1 C8 C9 C10 . . . . 39.83(13) ?
C11 N2 C10 C9 . . . . 123.50(12) ?
Cu1 N2 C10 C9 . . . . -67.24(11) ?
C23 C9 C10 N2 . . . . -88.70(12) ?
C22 C9 C10 N2 . . . . 151.68(10) ?
C8 C9 C10 N2 . . . . 30.61(14) ?
C10 N2 C11 C12 . . . . 167.99(11) ?
Cu1 N2 C11 C12 . . . . -0.16(17) ?
N2 C11 C12 C17 . . . . -2.29(19) ?
N2 C11 C12 C13 . . . . -174.60(12) ?
C17 C12 C13 C14 . . . . -0.38(19) ?
C11 C12 C13 C14 . . . . 172.08(12) ?
C12 C13 C14 C15 . . . . 0.7(2) ?
C13 C14 C15 C16 . . . . -0.4(2) ?
C20 O4 C16 C15 . . . . 6.95(18) ?
C20 O4 C16 C17 . . . . -171.68(10) ?
C14 C15 C16 O4 . . . . -178.61(12) ?
C14 C15 C16 C17 . . . . -0.07(19) ?
Cu1 O2 C17 C12 . . . . -6.51(17) ?
Cu1 O2 C17 C16 . . . . 171.46(8) ?
C13 C12 C17 O2 . . . . 177.86(11) ?
C11 C12 C17 O2 . . . . 5.82(18) ?
C13 C12 C17 C16 . . . . -0.11(17) ?
C11 C12 C17 C16 . . . . -172.14(11) ?
O4 C16 C17 O2 . . . . 0.89(15) ?
C15 C16 C17 O2 . . . . -177.80(11) ?
O4 C16 C17 C12 . . . . 179.03(10) ?
C15 C16 C17 C12 . . . . 0.33(17) ?
C2 O3 C18 C19 . . . . 176.50(10) ?
C16 O4 C20 C21 . . . . 172.02(10) ?
