#------------------------------------------------------------------------------
#$Date: 2021-07-21 08:24:53 +0300 (Wed, 21 Jul 2021) $
#$Revision: 267669 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/24/38/2243877.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_2243877
loop_
_publ_author_name
'Wang, Yiran'
'Nisbet, Matthew L.'
'Poeppelmeier, Kenneth R.'
_publ_section_title
;
 Crystal structures of two copper(I)--6,6'-dimethyl-2,2'-bipyridyl (dmbpy)
 compounds, [Cu(dmbpy)₂]₂[MF₆]·xH₂O (M
 = Zr, Hf; x = 1.134, 0.671)
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              819
_journal_page_last               823
_journal_paper_doi               10.1107/S2056989021007295
_journal_volume                  77
_journal_year                    2021
_chemical_formula_iupac          '[Cu (C12 H12 N2)2]2 [Hf F6], 0.671H2 O'
_chemical_formula_moiety         '2(C24 H24 Cu N4 +), F6 Hf 2-, 0.671(H2 O1)'
_chemical_formula_sum            'C48 H49.34 Cu2 F6 Hf N8 O0.67'
_chemical_formula_weight         1168.58
_chemical_name_systematic
;
Bis[bis(6,6'-dimethyl-2,2'-bipyridine)copper(I)] hexafluoridohafnate(IV)
0.671-hydrate
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_cell_angle_alpha                103.2730(10)
_cell_angle_beta                 103.6620(10)
_cell_angle_gamma                98.7850(10)
_cell_formula_units_Z            1
_cell_length_a                   8.57370(10)
_cell_length_b                   10.7967(2)
_cell_length_c                   13.0183(2)
_cell_measurement_reflns_used    31642
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      33.8800
_cell_measurement_theta_min      2.1980
_cell_volume                     1112.08(3)
_computing_cell_refinement
;
CrysAlisPro (Rigaku OD, 2020)
;
_computing_data_collection
;
CrysAlisPro (Rigaku OD, 2020)
;
_computing_data_reduction
;
CrysAlisPro (Rigaku OD, 2020)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_structure_refinement
;
SHELXL  (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT2014/5 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 CCD
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.889
_diffrn_measurement_device       'AFC12 (Right): Kappa 3 circle'
_diffrn_measurement_device_type  'Rigaku Saturn724+ (2x2 bin mode)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'Mitegen 50um'
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0318
_diffrn_reflns_av_unetI/netI     0.0247
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            40796
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.879
_diffrn_reflns_theta_min         1.986
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           24.0
_diffrn_source_power             1.2
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    3.348
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.433
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
(CrysAlisPro; Rigaku OD, 2020)
;
_exptl_crystal_colour            'clear orangish red'
_exptl_crystal_density_diffrn    1.745
_exptl_crystal_description       plate
_exptl_crystal_F_000             583
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.484
_refine_diff_density_min         -0.728
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     312
_refine_ls_number_reflns         8003
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0273
_refine_ls_R_factor_gt           0.0228
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0290P)²+0.1688P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0544
_refine_ls_wR_factor_ref         0.0557
_reflns_number_gt                7235
_reflns_number_total             8003
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            hb7977sup1.cif
_cod_data_source_block           II
_cod_original_cell_volume        1112.07(3)
_cod_database_code               2243877
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.433
_shelx_estimated_absorpt_t_max   0.776
loop_
_space_group_symop_operation_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_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu Cu1 0.30255(2) 0.35382(2) 0.69812(2) 0.01849(4) Uani d 1 . .
N N1 0.49323(15) 0.36487(11) 0.82812(9) 0.0157(2) Uani d 1 . .
C C1 0.55897(18) 0.26589(14) 0.85279(11) 0.0184(3) Uani d 1 . .
N N2 0.33991(15) 0.54691(12) 0.77752(10) 0.0187(2) Uani d 1 . .
C C2 0.70930(18) 0.28901(15) 0.93195(12) 0.0200(3) Uani d 1 . .
H H2 0.752847 0.218202 0.949428 0.024 Uiso calc 1 . .
N N3 0.08393(15) 0.23090(11) 0.61730(10) 0.0173(2) Uani d 1 . .
C C3 0.79431(18) 0.41592(16) 0.98475(12) 0.0218(3) Uani d 1 . .
H H3 0.898138 0.433093 1.037654 0.026 Uiso calc 1 . .
N N4 0.33880(17) 0.29739(13) 0.54432(11) 0.0211(2) Uani d 1 . .
C C4 0.72716(18) 0.51810(15) 0.96003(12) 0.0206(3) Uani d 1 . .
H H4 0.784176 0.605989 0.995319 0.025 Uiso calc 1 . .
C C5 0.57452(16) 0.48929(13) 0.88246(11) 0.0157(2) Uani d 1 . .
C C6 0.48691(17) 0.59126(13) 0.85563(11) 0.0159(2) Uani d 1 . .
C C7 0.54737(18) 0.72313(14) 0.90906(12) 0.0196(3) Uani d 1 . .
H H7 0.653940 0.753278 0.959803 0.024 Uiso calc 1 . .
C C8 0.4488(2) 0.81009(14) 0.88679(13) 0.0222(3) Uani d 1 . .
H H8 0.487246 0.900700 0.922570 0.027 Uiso calc 1 . .
C C9 0.2948(2) 0.76402(15) 0.81239(13) 0.0240(3) Uani d 1 . .
H H9 0.223979 0.821769 0.799097 0.029 Uiso calc 1 . .
C C10 0.24454(19) 0.63174(15) 0.75708(14) 0.0247(3) Uani d 1 . .
C C11 0.4606(2) 0.13042(15) 0.79400(14) 0.0287(3) Uani d 1 . .
H H11A 0.374850 0.108709 0.829125 0.043 Uiso calc 1 . .
H H11B 0.533164 0.068661 0.797454 0.043 Uiso calc 1 . .
H H11C 0.409525 0.125179 0.716942 0.043 Uiso calc 1 . .
C C12 0.0821(3) 0.5765(2) 0.6712(2) 0.0523(7) Uani d 1 . .
H H12A 0.100542 0.546189 0.599023 0.078 Uiso calc 1 . .
H H12B 0.017881 0.644134 0.669871 0.078 Uiso calc 1 . .
H H12C 0.021671 0.503124 0.688661 0.078 Uiso calc 1 . .
C C13 -0.03848(19) 0.20159(14) 0.66175(13) 0.0217(3) Uani d 1 . .
C C14 -0.1938(2) 0.13117(16) 0.59615(16) 0.0294(3) Uani d 1 . .
H H14 -0.279577 0.111864 0.628577 0.035 Uiso calc 1 . .
C C15 -0.2222(2) 0.08956(17) 0.48344(16) 0.0331(4) Uani d 1 . .
H H15 -0.328350 0.042958 0.437675 0.040 Uiso calc 1 . .
C C16 -0.0952(2) 0.11615(16) 0.43760(14) 0.0279(3) Uani d 1 . .
H H16 -0.112119 0.086313 0.360420 0.034 Uiso calc 1 . .
C C17 0.05785(19) 0.18743(14) 0.50662(12) 0.0196(3) Uani d 1 . .
C C18 0.2030(2) 0.21916(14) 0.46699(12) 0.0215(3) Uani d 1 . .
C C19 0.2026(3) 0.16910(16) 0.35783(13) 0.0293(3) Uani d 1 . .
H H19 0.105673 0.115925 0.304363 0.035 Uiso calc 1 . .
C C20 0.3465(3) 0.19880(19) 0.32964(15) 0.0370(4) Uani d 1 . .
H H20 0.349867 0.165652 0.256178 0.044 Uiso calc 1 . .
C C21 0.4854(3) 0.27688(19) 0.40872(16) 0.0348(4) Uani d 1 . .
H H21 0.585269 0.296727 0.390165 0.042 Uiso calc 1 . .
C C22 0.4786(2) 0.32667(16) 0.51629(14) 0.0265(3) Uani d 1 . .
C C23 0.0002(2) 0.24806(18) 0.78440(14) 0.0296(3) Uani d 1 . .
H H23A 0.107943 0.232844 0.818103 0.044 Uiso calc 1 . .
H H23B -0.084204 0.200229 0.808740 0.044 Uiso calc 1 . .
H H23C 0.002281 0.341524 0.806634 0.044 Uiso calc 1 . .
C C24 0.6249(2) 0.41315(19) 0.60455(16) 0.0332(4) Uani d 1 . .
H H24A 0.593380 0.490705 0.642476 0.050 Uiso calc 1 . .
H H24B 0.711624 0.439691 0.571619 0.050 Uiso calc 1 . .
H H24C 0.665684 0.365753 0.657414 0.050 Uiso calc 1 . .
Hf Hf1 0.000000 1.000000 1.000000 0.02373(3) Uani d 1 . .
F F1 0.09274(14) 0.99551(11) 0.87132(10) 0.0369(2) Uani d 1 . .
F F2 -0.05307(12) 0.80472(9) 0.95921(9) 0.0312(2) Uani d 1 . .
F F3 0.22038(12) 1.00043(10) 1.09439(10) 0.0341(2) Uani d 1 . .
O O1 -0.1061(5) 0.6264(4) 0.8063(3) 0.0338(12) Uani d 0.336(5) . .
H H1A -0.014695 0.600372 0.823726 0.051 Uiso d 0.336(5) . .
H H1B -0.097233 0.702606 0.850509 0.051 Uiso d 0.336(5) . .
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Hf Hf -0.5830 6.1852 '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'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 0 1 0.0716
0 -1 1 0.1021
0 0 -1 0.0752
0 1 -1 0.1409
1 -1 1 0.0349
0 1 0 0.1498
0 -1 0 0.0992
0 1 1 0.1136
-1 1 0 0.0628
1 -1 0 0.0229
1 -1 -1 0.0453
-1 0 -1 0.0956
12 -1 -2 0.0733
-1 1 -1 0.0477
-1 0 0 0.0953
1 0 1 0.0579
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
N1 Cu1 N2 . . 81.22(5) y
N1 Cu1 N4 . . 116.52(5) y
N2 Cu1 N4 . . 120.35(5) y
N3 Cu1 N1 . . 136.20(5) y
N3 Cu1 N2 . . 126.39(5) y
N3 Cu1 N4 . . 80.94(5) y
C1 N1 Cu1 . . 127.24(10) ?
C1 N1 C5 . . 119.15(12) ?
C5 N1 Cu1 . . 112.66(9) ?
N1 C1 C2 . . 121.40(13) ?
N1 C1 C11 . . 116.99(13) ?
C2 C1 C11 . . 121.58(13) ?
C6 N2 Cu1 . . 112.15(9) ?
C10 N2 Cu1 . . 128.64(10) ?
C10 N2 C6 . . 119.08(13) ?
C1 C2 H2 . . 120.3 ?
C3 C2 C1 . . 119.31(13) ?
C3 C2 H2 . . 120.3 ?
C13 N3 Cu1 . . 125.50(10) ?
C13 N3 C17 . . 119.68(13) ?
C17 N3 Cu1 . . 114.43(10) ?
C2 C3 H3 . . 120.2 ?
C2 C3 C4 . . 119.57(13) ?
C4 C3 H3 . . 120.2 ?
C18 N4 Cu1 . . 113.01(10) ?
C22 N4 Cu1 . . 127.54(11) ?
C22 N4 C18 . . 119.43(14) ?
C3 C4 H4 . . 120.7 ?
C3 C4 C5 . . 118.63(13) ?
C5 C4 H4 . . 120.7 ?
N1 C5 C4 . . 121.89(13) ?
N1 C5 C6 . . 115.22(12) ?
C4 C5 C6 . . 122.86(13) ?
N2 C6 C5 . . 115.48(12) ?
N2 C6 C7 . . 121.72(13) ?
C7 C6 C5 . . 122.77(13) ?
C6 C7 H7 . . 120.7 ?
C6 C7 C8 . . 118.65(14) ?
C8 C7 H7 . . 120.7 ?
C7 C8 H8 . . 120.2 ?
C9 C8 C7 . . 119.60(14) ?
C9 C8 H8 . . 120.2 ?
C8 C9 H9 . . 120.5 ?
C8 C9 C10 . . 119.06(14) ?
C10 C9 H9 . . 120.5 ?
N2 C10 C9 . . 121.66(14) ?
N2 C10 C12 . . 116.62(15) ?
C9 C10 C12 . . 121.71(15) ?
C1 C11 H11A . . 109.5 ?
C1 C11 H11B . . 109.5 ?
C1 C11 H11C . . 109.5 ?
H11A C11 H11B . . 109.5 ?
H11A C11 H11C . . 109.5 ?
H11B C11 H11C . . 109.5 ?
C10 C12 H12A . . 109.5 ?
C10 C12 H12B . . 109.5 ?
C10 C12 H12C . . 109.5 ?
H12A C12 H12B . . 109.5 ?
H12A C12 H12C . . 109.5 ?
H12B C12 H12C . . 109.5 ?
N3 C13 C14 . . 121.15(15) ?
N3 C13 C23 . . 116.98(14) ?
C14 C13 C23 . . 121.87(15) ?
C13 C14 H14 . . 120.3 ?
C15 C14 C13 . . 119.42(17) ?
C15 C14 H14 . . 120.3 ?
C14 C15 H15 . . 120.2 ?
C14 C15 C16 . . 119.63(15) ?
C16 C15 H15 . . 120.2 ?
C15 C16 H16 . . 120.6 ?
C15 C16 C17 . . 118.80(15) ?
C17 C16 H16 . . 120.6 ?
N3 C17 C16 . . 121.28(15) ?
N3 C17 C18 . . 115.28(13) ?
C16 C17 C18 . . 123.44(14) ?
N4 C18 C17 . . 115.53(13) ?
N4 C18 C19 . . 121.93(16) ?
C19 C18 C17 . . 122.51(15) ?
C18 C19 H19 . . 120.8 ?
C20 C19 C18 . . 118.41(17) ?
C20 C19 H19 . . 120.8 ?
C19 C20 H20 . . 120.2 ?
C21 C20 C19 . . 119.67(16) ?
C21 C20 H20 . . 120.2 ?
C20 C21 H21 . . 120.1 ?
C20 C21 C22 . . 119.72(18) ?
C22 C21 H21 . . 120.1 ?
N4 C22 C21 . . 120.82(17) ?
N4 C22 C24 . . 117.38(15) ?
C21 C22 C24 . . 121.80(16) ?
C13 C23 H23A . . 109.5 ?
C13 C23 H23B . . 109.5 ?
C13 C23 H23C . . 109.5 ?
H23A C23 H23B . . 109.5 ?
H23A C23 H23C . . 109.5 ?
H23B C23 H23C . . 109.5 ?
C22 C24 H24A . . 109.5 ?
C22 C24 H24B . . 109.5 ?
C22 C24 H24C . . 109.5 ?
H24A C24 H24B . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 109.5 ?
F1 Hf1 F1 2_577 . 180.00(7) ?
F2 Hf1 F1 2_577 . 89.79(5) ?
F2 Hf1 F1 . . 90.21(5) ?
F2 Hf1 F1 . 2_577 89.79(5) ?
F2 Hf1 F1 2_577 2_577 90.21(5) ?
F2 Hf1 F2 . 2_577 180.0 ?
F3 Hf1 F1 . . 90.15(5) ?
F3 Hf1 F1 . 2_577 89.85(5) ?
F3 Hf1 F1 2_577 2_577 90.15(5) ?
F3 Hf1 F1 2_577 . 89.85(5) ?
F3 Hf1 F2 . . 89.27(4) ?
F3 Hf1 F2 2_577 2_577 89.26(4) ?
F3 Hf1 F2 2_577 . 90.74(4) ?
F3 Hf1 F2 . 2_577 90.73(4) ?
F3 Hf1 F3 . 2_577 180.0 ?
H1A O1 H1B . . 109.5 ?
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 N1 . 2.0229(12) y
Cu1 N2 . 2.0414(12) y
Cu1 N3 . 2.0121(12) y
Cu1 N4 . 2.0659(13) y
N1 C1 . 1.3487(17) ?
N1 C5 . 1.3548(18) ?
C1 C2 . 1.393(2) ?
C1 C11 . 1.497(2) ?
N2 C6 . 1.3558(18) ?
N2 C10 . 1.3476(19) ?
C2 H2 . 0.9500 ?
C2 C3 . 1.381(2) ?
N3 C13 . 1.344(2) ?
N3 C17 . 1.3607(19) ?
C3 H3 . 0.9500 ?
C3 C4 . 1.386(2) ?
N4 C18 . 1.356(2) ?
N4 C22 . 1.347(2) ?
C4 H4 . 0.9500 ?
C4 C5 . 1.3915(19) ?
C5 C6 . 1.4845(19) ?
C6 C7 . 1.389(2) ?
C7 H7 . 0.9500 ?
C7 C8 . 1.390(2) ?
C8 H8 . 0.9500 ?
C8 C9 . 1.380(2) ?
C9 H9 . 0.9500 ?
C9 C10 . 1.392(2) ?
C10 C12 . 1.500(2) ?
C11 H11A . 0.9800 ?
C11 H11B . 0.9800 ?
C11 H11C . 0.9800 ?
C12 H12A . 0.9800 ?
C12 H12B . 0.9800 ?
C12 H12C . 0.9800 ?
C13 C14 . 1.391(2) ?
C13 C23 . 1.497(2) ?
C14 H14 . 0.9500 ?
C14 C15 . 1.382(3) ?
C15 H15 . 0.9500 ?
C15 C16 . 1.384(3) ?
C16 H16 . 0.9500 ?
C16 C17 . 1.392(2) ?
C17 C18 . 1.479(2) ?
C18 C19 . 1.399(2) ?
C19 H19 . 0.9500 ?
C19 C20 . 1.381(3) ?
C20 H20 . 0.9500 ?
C20 C21 . 1.380(3) ?
C21 H21 . 0.9500 ?
C21 C22 . 1.399(2) ?
C22 C24 . 1.495(3) ?
C23 H23A . 0.9800 ?
C23 H23B . 0.9800 ?
C23 H23C . 0.9800 ?
C24 H24A . 0.9800 ?
C24 H24B . 0.9800 ?
C24 H24C . 0.9800 ?
Hf1 F1 2_577 2.0111(11) ?
Hf1 F1 . 2.0111(11) y
Hf1 F2 2_577 2.0033(9) ?
Hf1 F2 . 2.0033(9) y
Hf1 F3 2_577 1.9945(10) ?
Hf1 F3 . 1.9945(10) y
O1 H1A . 0.8700 ?
O1 H1B . 0.8699 ?
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
O1B H1B F2 . 0.87 1.50 2.328(4) 156
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
Cu1 N1 C1 C2 . . . . 167.25(11) ?
Cu1 N1 C1 C11 . . . . -14.69(19) ?
Cu1 N1 C5 C4 . . . . -167.08(11) ?
Cu1 N1 C5 C6 . . . . 14.67(15) ?
Cu1 N2 C6 C5 . . . . -11.14(15) ?
Cu1 N2 C6 C7 . . . . 171.02(11) ?
Cu1 N2 C10 C9 . . . . -173.90(12) ?
Cu1 N2 C10 C12 . . . . 5.7(2) ?
Cu1 N3 C13 C14 . . . . 170.17(12) ?
Cu1 N3 C13 C23 . . . . -9.84(19) ?
Cu1 N3 C17 C16 . . . . -171.27(11) ?
Cu1 N3 C17 C18 . . . . 9.88(15) ?
Cu1 N4 C18 C17 . . . . -1.01(15) ?
Cu1 N4 C18 C19 . . . . -179.23(12) ?
Cu1 N4 C22 C21 . . . . 177.63(12) ?
Cu1 N4 C22 C24 . . . . -2.0(2) ?
N1 C1 C2 C3 . . . . -1.3(2) ?
N1 C5 C6 N2 . . . . -2.27(18) ?
N1 C5 C6 C7 . . . . 175.55(13) ?
C1 N1 C5 C4 . . . . 2.6(2) ?
C1 N1 C5 C6 . . . . -175.69(12) ?
C1 C2 C3 C4 . . . . 1.5(2) ?
N2 C6 C7 C8 . . . . 4.5(2) ?
C2 C3 C4 C5 . . . . 0.3(2) ?
N3 C13 C14 C15 . . . . 0.6(2) ?
N3 C17 C18 N4 . . . . -5.82(18) ?
N3 C17 C18 C19 . . . . 172.39(13) ?
C3 C4 C5 N1 . . . . -2.3(2) ?
C3 C4 C5 C6 . . . . 175.77(13) ?
N4 C18 C19 C20 . . . . 1.4(2) ?
C4 C5 C6 N2 . . . . 179.49(13) ?
C4 C5 C6 C7 . . . . -2.7(2) ?
C5 N1 C1 C2 . . . . -0.7(2) ?
C5 N1 C1 C11 . . . . 177.33(13) ?
C5 C6 C7 C8 . . . . -173.20(13) ?
C6 N2 C10 C9 . . . . 1.4(2) ?
C6 N2 C10 C12 . . . . -178.95(17) ?
C6 C7 C8 C9 . . . . -0.3(2) ?
C7 C8 C9 C10 . . . . -3.1(2) ?
C8 C9 C10 N2 . . . . 2.6(2) ?
C8 C9 C10 C12 . . . . -176.97(18) ?
C10 N2 C6 C5 . . . . 172.79(13) ?
C10 N2 C6 C7 . . . . -5.1(2) ?
C11 C1 C2 C3 . . . . -179.25(14) ?
C13 N3 C17 C16 . . . . 2.0(2) ?
C13 N3 C17 C18 . . . . -176.87(12) ?
C13 C14 C15 C16 . . . . 1.3(3) ?
C14 C15 C16 C17 . . . . -1.6(2) ?
C15 C16 C17 N3 . . . . 0.0(2) ?
C15 C16 C17 C18 . . . . 178.70(15) ?
C16 C17 C18 N4 . . . . 175.36(14) ?
C16 C17 C18 C19 . . . . -6.4(2) ?
C17 N3 C13 C14 . . . . -2.3(2) ?
C17 N3 C13 C23 . . . . 177.72(13) ?
C17 C18 C19 C20 . . . . -176.75(14) ?
C18 N4 C22 C21 . . . . -0.3(2) ?
C18 N4 C22 C24 . . . . -179.92(14) ?
C18 C19 C20 C21 . . . . -0.4(3) ?
C19 C20 C21 C22 . . . . -0.9(3) ?
C20 C21 C22 N4 . . . . 1.3(3) ?
C20 C21 C22 C24 . . . . -179.15(16) ?
C22 N4 C18 C17 . . . . 177.22(13) ?
C22 N4 C18 C19 . . . . -1.0(2) ?
C23 C13 C14 C15 . . . . -179.34(16) ?

_cod_database_fobs_code 2243877
