#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/00/2210093.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_2210093
loop_
_publ_author_name
'He, Hong-Shan'
_publ_section_title
Acetato[hydridotris(5-methyl-3-phenylpyrazol-1-yl-κN²)borato]copper(II)
_journal_coeditor_code           BI2040
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2016
_journal_page_last               m2017
_journal_paper_doi               10.1107/S1600536806029187
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Cu (C30 H28 B N6) (C2 H3 O2)]'
_chemical_formula_moiety         'C32 H31 B Cu N6 O2'
_chemical_formula_sum            'C32 H31 B Cu N6 O2'
_chemical_formula_weight         605.98
_chemical_name_systematic
;
Acetato[hydridotris(5-methyl-3-phenylpyrazoly)borato]copper(II)
;
_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
_cell_angle_alpha                112.97(9)
_cell_angle_beta                 97.09(7)
_cell_angle_gamma                92.12(10)
_cell_formula_units_Z            2
_cell_length_a                   11.301(18)
_cell_length_b                   12.035(8)
_cell_length_c                   12.066(15)
_cell_measurement_reflns_used    10202
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.65
_cell_measurement_theta_min      1.82
_cell_volume                     1493(3)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker 1000 CCD'
_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  0.0391
_diffrn_reflns_av_sigmaI/netI    0.0484
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            20842
_diffrn_reflns_theta_full        26.30
_diffrn_reflns_theta_max         26.30
_diffrn_reflns_theta_min         1.82
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.771
_exptl_absorpt_correction_T_max  0.927
_exptl_absorpt_correction_T_min  0.924
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1997)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.348
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             630
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.737
_refine_diff_density_min         -0.286
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     387
_refine_ls_number_reflns         5986
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0860
_refine_ls_R_factor_gt           0.0442
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0534P)²+0.9974P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1043
_refine_ls_wR_factor_ref         0.1253
_reflns_number_gt                3916
_reflns_number_total             5986
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bi2040.cif
_cod_data_source_block           I
_cod_database_code               2210093
_cod_database_fobs_code          2210093
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
H H1 -0.167(3) 0.856(2) 0.131(3) 0.047(8) Uiso d . 1
B B1 -0.0669(3) 0.8463(3) 0.1560(4) 0.0481(9) Uani d . 1
Cu Cu1 0.19466(3) 0.81570(3) 0.20931(4) 0.04725(15) Uani d . 1
N N1 0.0926(2) 0.7181(2) 0.0539(2) 0.0440(6) Uani d . 1
N N2 -0.0267(2) 0.7349(2) 0.0549(2) 0.0434(6) Uani d . 1
C C1 -0.2249(3) 0.6403(4) -0.0724(3) 0.0636(10) Uani d . 1
H H1A -0.2593 0.6427 -0.0028 0.095 Uiso calc R 1
H H1B -0.2535 0.5660 -0.1407 0.095 Uiso calc R 1
H H1C -0.2474 0.7077 -0.0915 0.095 Uiso calc R 1
C C2 -0.0915(3) 0.6475(3) -0.0449(3) 0.0471(8) Uani d . 1
C C3 -0.0128(3) 0.5742(3) -0.1114(3) 0.0512(8) Uani d . 1
H H3 -0.0322 0.5069 -0.1846 0.061 Uiso calc R 1
C C4 0.1008(3) 0.6202(3) -0.0481(3) 0.0429(7) Uani d . 1
C C5 0.2168(3) 0.5781(3) -0.0844(3) 0.0459(8) Uani d . 1
C C6 0.2212(4) 0.4598(3) -0.1655(3) 0.0647(10) Uani d . 1
H H6 0.1513 0.4076 -0.1954 0.078 Uiso calc R 1
C C7 0.3267(4) 0.4187(4) -0.2020(4) 0.0807(13) Uani d . 1
H H7 0.3279 0.3388 -0.2562 0.097 Uiso calc R 1
C C8 0.4299(4) 0.4932(4) -0.1602(4) 0.0845(13) Uani d . 1
H H8 0.5018 0.4629 -0.1824 0.101 Uiso calc R 1
C C9 0.4285(4) 0.6131(4) -0.0851(4) 0.0867(14) Uani d . 1
H H9 0.4983 0.6653 -0.0600 0.104 Uiso calc R 1
C C10 0.3216(3) 0.6553(4) -0.0474(4) 0.0700(11) Uani d . 1
H H10 0.3202 0.7364 0.0034 0.084 Uiso calc R 1
C C11 -0.1434(3) 1.0871(3) 0.1265(4) 0.0640(10) Uani d . 1
H H11A -0.1803 1.0189 0.0553 0.096 Uiso calc R 1
H H11B -0.1429 1.1587 0.1096 0.096 Uiso calc R 1
H H11C -0.1879 1.0979 0.1922 0.096 Uiso calc R 1
N N3 0.1324(2) 0.9656(2) 0.2006(2) 0.0445(6) Uani d . 1
N N4 0.0115(2) 0.9603(2) 0.1693(2) 0.0453(6) Uani d . 1
C C12 -0.0178(3) 1.0650(3) 0.1614(3) 0.0484(8) Uani d . 1
C C13 0.0859(3) 1.1384(3) 0.1885(3) 0.0510(8) Uani d . 1
H H13 0.0930 1.2168 0.1915 0.061 Uiso calc R 1
C C14 0.1788(3) 1.0741(3) 0.2110(3) 0.0461(8) Uani d . 1
C C15 0.3078(3) 1.1103(3) 0.2340(3) 0.0507(8) Uani d . 1
C C16 0.3515(4) 1.2287(3) 0.3048(4) 0.0676(10) Uani d . 1
H H16 0.2992 1.2844 0.3428 0.081 Uiso calc R 1
C C17 0.4712(4) 1.2660(4) 0.3202(5) 0.0899(14) Uani d . 1
H H17 0.4985 1.3466 0.3676 0.108 Uiso calc R 1
C C18 0.5494(4) 1.1867(5) 0.2673(5) 0.0959(15) Uani d . 1
H H18 0.6303 1.2124 0.2790 0.115 Uiso calc R 1
C C19 0.5090(4) 1.0688(4) 0.1967(5) 0.0910(14) Uani d . 1
H H19 0.5625 1.0140 0.1598 0.109 Uiso calc R 1
C C20 0.3890(3) 1.0306(4) 0.1801(4) 0.0730(11) Uani d . 1
H H20 0.3624 0.9500 0.1318 0.088 Uiso calc R 1
C C21 -0.2137(4) 0.9430(4) 0.3716(4) 0.0841(13) Uani d . 1
H H21A -0.1841 1.0202 0.3749 0.126 Uiso calc R 1
H H21B -0.2518 0.9548 0.4417 0.126 Uiso calc R 1
H H21C -0.2707 0.9029 0.2991 0.126 Uiso calc R 1
N N5 -0.0466(2) 0.8304(2) 0.2778(2) 0.0471(6) Uani d . 1
N N6 0.0449(2) 0.7669(2) 0.3017(2) 0.0483(6) Uani d . 1
C C22 -0.1119(3) 0.8669(3) 0.3702(3) 0.0585(9) Uani d . 1
C C23 -0.0652(3) 0.8234(3) 0.4532(3) 0.0659(10) Uani d . 1
H H23 -0.0921 0.8336 0.5261 0.079 Uiso calc R 1
C C24 0.0309(3) 0.7604(3) 0.4074(3) 0.0538(8) Uani d . 1
C C25 0.1049(4) 0.6876(3) 0.4573(3) 0.0588(9) Uani d . 1
C C26 0.0790(5) 0.6724(4) 0.5613(4) 0.0854(13) Uani d . 1
H H26 0.0177 0.7117 0.6012 0.103 Uiso calc R 1
C C27 0.1432(6) 0.6004(5) 0.6043(5) 0.1041(17) Uani d . 1
H H27 0.1252 0.5922 0.6741 0.125 Uiso calc R 1
C C28 0.2324(5) 0.5402(4) 0.5485(5) 0.0987(17) Uani d . 1
H H28 0.2748 0.4910 0.5791 0.118 Uiso calc R 1
C C29 0.2595(4) 0.5530(4) 0.4455(4) 0.0814(13) Uani d . 1
H H29 0.3204 0.5121 0.4060 0.098 Uiso calc R 1
C C30 0.1961(4) 0.6268(3) 0.4011(3) 0.0658(10) Uani d . 1
H H30 0.2154 0.6356 0.3321 0.079 Uiso calc R 1
O O1 0.3126(2) 0.8984(2) 0.3583(2) 0.0649(7) Uani d . 1
O O2 0.3365(2) 0.7219(2) 0.2305(3) 0.0734(7) Uani d . 1
C C31 0.4812(4) 0.8115(5) 0.4154(5) 0.1124(18) Uani d . 1
H H31A 0.5496 0.7995 0.3735 0.169 Uiso calc R 1
H H31B 0.4686 0.7465 0.4411 0.169 Uiso calc R 1
H H31C 0.4950 0.8871 0.4853 0.169 Uiso calc R 1
C C32 0.3749(3) 0.8139(4) 0.3333(3) 0.0620(10) Uani 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'
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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_publ_flag
N5 B1 N4 108.8(3) n
N5 B1 N2 109.2(3) n
N4 B1 N2 108.2(3) n
N5 B1 H1 110.0(14) n
N4 B1 H1 110.6(14) n
N2 B1 H1 110.0(14) n
N1 Cu1 O1 172.58(10) y
N1 Cu1 N3 89.56(14) y
O1 Cu1 N3 96.48(14) y
N1 Cu1 O2 108.62(14) y
O1 Cu1 O2 64.09(14) y
N3 Cu1 O2 149.51(12) y
N1 Cu1 N6 86.19(15) y
O1 Cu1 N6 97.22(15) y
N3 Cu1 N6 97.71(13) y
O2 Cu1 N6 107.48(14) y
C4 N1 N2 107.0(3) n
C4 N1 Cu1 137.6(2) n
N2 N1 Cu1 113.8(2) n
C2 N2 N1 109.3(3) n
C2 N2 B1 130.3(3) n
N1 N2 B1 120.2(3) n
C2 C1 H1A 109.5 n
C2 C1 H1B 109.5 n
H1A C1 H1B 109.5 n
C2 C1 H1C 109.5 n
H1A C1 H1C 109.5 n
H1B C1 H1C 109.5 n
N2 C2 C3 107.8(3) n
N2 C2 C1 123.1(3) n
C3 C2 C1 129.1(3) n
C2 C3 C4 106.6(3) n
C2 C3 H3 126.7 n
C4 C3 H3 126.7 n
N1 C4 C3 109.3(3) n
N1 C4 C5 122.7(3) n
C3 C4 C5 127.9(3) n
C6 C5 C10 117.8(3) n
C6 C5 C4 119.5(3) n
C10 C5 C4 122.5(3) n
C7 C6 C5 120.9(4) n
C7 C6 H6 119.6 n
C5 C6 H6 119.6 n
C8 C7 C6 120.8(4) n
C8 C7 H7 119.6 n
C6 C7 H7 119.6 n
C7 C8 C9 120.3(4) n
C7 C8 H8 119.9 n
C9 C8 H8 119.9 n
C8 C9 C10 119.2(4) n
C8 C9 H9 120.4 n
C10 C9 H9 120.4 n
C9 C10 C5 120.9(4) n
C9 C10 H10 119.6 n
C5 C10 H10 119.6 n
C12 C11 H11A 109.5 n
C12 C11 H11B 109.5 n
H11A C11 H11B 109.5 n
C12 C11 H11C 109.5 n
H11A C11 H11C 109.5 n
H11B C11 H11C 109.5 n
C14 N3 N4 107.1(3) n
C14 N3 Cu1 136.9(2) n
N4 N3 Cu1 115.9(2) n
C12 N4 N3 109.8(3) n
C12 N4 B1 131.5(3) n
N3 N4 B1 118.6(3) n
N4 C12 C13 107.3(3) n
N4 C12 C11 123.0(3) n
C13 C12 C11 129.7(3) n
C12 C13 C14 107.2(3) n
C12 C13 H13 126.4 n
C14 C13 H13 126.4 n
N3 C14 C13 108.6(3) n
N3 C14 C15 123.5(3) n
C13 C14 C15 127.8(3) n
C16 C15 C20 117.4(4) n
C16 C15 C14 120.4(3) n
C20 C15 C14 122.1(3) n
C17 C16 C15 121.1(4) n
C17 C16 H16 119.4 n
C15 C16 H16 119.4 n
C18 C17 C16 120.7(4) n
C18 C17 H17 119.6 n
C16 C17 H17 119.6 n
C17 C18 C19 119.6(4) n
C17 C18 H18 120.2 n
C19 C18 H18 120.2 n
C18 C19 C20 120.2(4) n
C18 C19 H19 119.9 n
C20 C19 H19 119.9 n
C19 C20 C15 121.0(4) n
C19 C20 H20 119.5 n
C15 C20 H20 119.5 n
C22 C21 H21A 109.5 n
C22 C21 H21B 109.5 n
H21A C21 H21B 109.5 n
C22 C21 H21C 109.5 n
H21A C21 H21C 109.5 n
H21B C21 H21C 109.5 n
C22 N5 N6 110.4(3) n
C22 N5 B1 128.9(3) n
N6 N5 B1 120.6(2) n
C24 N6 N5 105.6(3) n
C24 N6 Cu1 139.2(2) n
N5 N6 Cu1 102.5(2) n
N5 C22 C23 107.4(3) n
N5 C22 C21 122.1(4) n
C23 C22 C21 130.5(3) n
C22 C23 C24 106.4(3) n
C22 C23 H23 126.8 n
C24 C23 H23 126.8 n
N6 C24 C23 110.1(3) n
N6 C24 C25 121.8(3) n
C23 C24 C25 127.9(3) n
C30 C25 C26 117.6(4) n
C30 C25 C24 122.2(3) n
C26 C25 C24 120.1(4) n
C27 C26 C25 120.3(5) n
C27 C26 H26 119.8 n
C25 C26 H26 119.8 n
C28 C27 C26 121.9(5) n
C28 C27 H27 119.0 n
C26 C27 H27 119.0 n
C27 C28 C29 119.0(5) n
C27 C28 H28 120.5 n
C29 C28 H28 120.5 n
C28 C29 C30 119.9(5) n
C28 C29 H29 120.1 n
C30 C29 H29 120.1 n
C25 C30 C29 121.2(4) n
C25 C30 H30 119.4 n
C29 C30 H30 119.4 n
C32 O1 Cu1 93.2(3) n
C32 O2 Cu1 87.7(2) n
C32 C31 H31A 109.5 n
C32 C31 H31B 109.5 n
H31A C31 H31B 109.5 n
C32 C31 H31C 109.5 n
H31A C31 H31C 109.5 n
H31B C31 H31C 109.5 n
O1 C32 O2 115.1(4) n
O1 C32 C31 122.8(4) n
O2 C32 C31 122.0(4) n
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
B1 N5 1.545(5) n
B1 N4 1.548(5) n
B1 N2 1.549(5) n
B1 H1 1.16(3) n
Cu1 O1 1.978(4) y
Cu1 O2 2.042(4) y
Cu1 N1 1.968(4) y
Cu1 N3 1.996(3) y
Cu1 N6 2.314(4) y
N1 C4 1.348(4) n
N1 N2 1.371(4) n
N2 C2 1.352(4) n
C1 C2 1.495(5) n
C1 H1A 0.960 n
C1 H1B 0.960 n
C1 H1C 0.960 n
C2 C3 1.376(5) n
C3 C4 1.383(5) n
C3 H3 0.930 n
C4 C5 1.477(5) n
C5 C6 1.385(5) n
C5 C10 1.390(5) n
C6 C7 1.366(6) n
C6 H6 0.930 n
C7 C8 1.357(6) n
C7 H7 0.930 n
C8 C9 1.374(6) n
C8 H8 0.930 n
C9 C10 1.387(5) n
C9 H9 0.930 n
C10 H10 0.930 n
C11 C12 1.494(5) n
C11 H11A 0.960 n
C11 H11B 0.960 n
C11 H11C 0.960 n
N3 C14 1.343(4) n
N3 N4 1.363(4) n
N4 C12 1.351(4) n
C12 C13 1.365(5) n
C13 C14 1.389(5) n
C13 H13 0.930 n
C14 C15 1.467(5) n
C15 C16 1.378(5) n
C15 C20 1.382(5) n
C16 C17 1.375(6) n
C16 H16 0.930 n
C17 C18 1.352(6) n
C17 H17 0.930 n
C18 C19 1.364(6) n
C18 H18 0.930 n
C19 C20 1.380(6) n
C19 H19 0.930 n
C20 H20 0.930 n
C21 C22 1.495(5) n
C21 H21A 0.960 n
C21 H21B 0.960 n
C21 H21C 0.960 n
N5 C22 1.350(4) n
N5 N6 1.376(4) n
N6 C24 1.336(4) n
C22 C23 1.363(5) n
C23 C24 1.393(5) n
C23 H23 0.930 n
C24 C25 1.474(5) n
C25 C30 1.378(5) n
C25 C26 1.400(5) n
C26 C27 1.360(7) n
C26 H26 0.930 n
C27 C28 1.356(7) n
C27 H27 0.930 n
C28 C29 1.379(7) n
C28 H28 0.930 n
C29 C30 1.383(5) n
C29 H29 0.930 n
C30 H30 0.930 n
O1 C32 1.219(4) n
O2 C32 1.309(5) n
C31 C32 1.469(6) n
C31 H31A 0.960 n
C31 H31B 0.960 n
C31 H31C 0.960 n
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_publ_flag
N3 Cu1 N1 C4 140.6(3) n
O2 Cu1 N1 C4 -14.5(3) n
N6 Cu1 N1 C4 -121.6(3) n
N3 Cu1 N1 N2 -56.5(2) n
O2 Cu1 N1 N2 148.42(19) n
N6 Cu1 N1 N2 41.2(2) n
C4 N1 N2 C2 0.6(3) n
Cu1 N1 N2 C2 -167.45(19) n
C4 N1 N2 B1 -175.5(3) n
Cu1 N1 N2 B1 16.4(3) n
N5 B1 N2 C2 113.8(3) n
N4 B1 N2 C2 -127.9(3) n
N5 B1 N2 N1 -71.0(3) n
N4 B1 N2 N1 47.3(4) n
N1 N2 C2 C3 -0.5(3) n
B1 N2 C2 C3 175.1(3) n
N1 N2 C2 C1 -179.2(3) n
B1 N2 C2 C1 -3.6(5) n
N2 C2 C3 C4 0.2(3) n
C1 C2 C3 C4 178.9(3) n
N2 N1 C4 C3 -0.4(3) n
Cu1 N1 C4 C3 163.2(2) n
N2 N1 C4 C5 176.3(3) n
Cu1 N1 C4 C5 -20.0(5) n
C2 C3 C4 N1 0.1(3) n
C2 C3 C4 C5 -176.4(3) n
N1 C4 C5 C6 159.7(3) n
C3 C4 C5 C6 -24.2(5) n
N1 C4 C5 C10 -25.2(5) n
C3 C4 C5 C10 150.9(4) n
C10 C5 C6 C7 3.8(6) n
C4 C5 C6 C7 179.1(3) n
C5 C6 C7 C8 -0.3(7) n
C6 C7 C8 C9 -3.4(8) n
C7 C8 C9 C10 3.5(7) n
C8 C9 C10 C5 0.0(7) n
C6 C5 C10 C9 -3.6(6) n
C4 C5 C10 C9 -178.8(4) n
N1 Cu1 N3 C14 -129.8(3) n
O1 Cu1 N3 C14 45.9(3) n
O2 Cu1 N3 C14 -1.8(4) n
N6 Cu1 N3 C14 144.1(3) n
N1 Cu1 N3 N4 45.3(2) n
O1 Cu1 N3 N4 -139.0(2) n
O2 Cu1 N3 N4 173.4(2) n
N6 Cu1 N3 N4 -40.8(2) n
C14 N3 N4 C12 -0.7(3) n
Cu1 N3 N4 C12 -177.2(2) n
C14 N3 N4 B1 -177.6(3) n
Cu1 N3 N4 B1 5.9(3) n
N5 B1 N4 C12 -117.9(4) n
N2 B1 N4 C12 123.5(3) n
N5 B1 N4 N3 58.2(3) n
N2 B1 N4 N3 -60.4(4) n
N3 N4 C12 C13 -0.2(4) n
B1 N4 C12 C13 176.1(3) n
N3 N4 C12 C11 178.9(3) n
B1 N4 C12 C11 -4.8(5) n
N4 C12 C13 C14 1.0(4) n
C11 C12 C13 C14 -178.0(3) n
N4 N3 C14 C13 1.3(3) n
Cu1 N3 C14 C13 176.7(2) n
N4 N3 C14 C15 -174.9(3) n
Cu1 N3 C14 C15 0.5(5) n
C12 C13 C14 N3 -1.5(4) n
C12 C13 C14 C15 174.5(3) n
N3 C14 C15 C16 -145.1(3) n
C13 C14 C15 C16 39.4(5) n
N3 C14 C15 C20 39.3(5) n
C13 C14 C15 C20 -136.2(4) n
C20 C15 C16 C17 0.4(6) n
C14 C15 C16 C17 -175.4(4) n
C15 C16 C17 C18 -0.8(7) n
C16 C17 C18 C19 0.8(8) n
C17 C18 C19 C20 -0.4(8) n
C18 C19 C20 C15 0.0(8) n
C16 C15 C20 C19 0.0(6) n
C14 C15 C20 C19 175.7(4) n
N4 B1 N5 C22 95.9(4) n
N2 B1 N5 C22 -146.1(3) n
N4 B1 N5 N6 -87.4(3) n
N2 B1 N5 N6 30.5(4) n
C22 N5 N6 C24 2.8(3) n
B1 N5 N6 C24 -174.4(3) n
C22 N5 N6 Cu1 -147.3(2) n
B1 N5 N6 Cu1 35.5(3) n
N1 Cu1 N6 C24 157.9(3) n
O1 Cu1 N6 C24 -15.5(3) n
N3 Cu1 N6 C24 -113.1(4) n
O2 Cu1 N6 C24 49.6(4) n
N1 Cu1 N6 N5 -69.3(2) n
O1 Cu1 N6 N5 117.3(2) n
N3 Cu1 N6 N5 19.70(19) n
O2 Cu1 N6 N5 -177.67(17) n
N6 N5 C22 C23 -2.1(4) n
B1 N5 C22 C23 174.9(3) n
N6 N5 C22 C21 177.0(3) n
B1 N5 C22 C21 -6.1(5) n
N5 C22 C23 C24 0.5(4) n
C21 C22 C23 C24 -178.5(4) n
N5 N6 C24 C23 -2.5(4) n
Cu1 N6 C24 C23 129.4(3) n
N5 N6 C24 C25 173.5(3) n
Cu1 N6 C24 C25 -54.6(5) n
C22 C23 C24 N6 1.3(4) n
C22 C23 C24 C25 -174.3(3) n
N6 C24 C25 C30 3.1(5) n
C23 C24 C25 C30 178.3(4) n
N6 C24 C25 C26 -173.0(3) n
C23 C24 C25 C26 2.2(6) n
C30 C25 C26 C27 0.4(6) n
C24 C25 C26 C27 176.7(4) n
C25 C26 C27 C28 -0.8(8) n
C26 C27 C28 C29 0.5(8) n
C27 C28 C29 C30 0.2(7) n
C26 C25 C30 C29 0.3(6) n
C24 C25 C30 C29 -175.9(3) n
C28 C29 C30 C25 -0.6(6) n
N3 Cu1 O1 C32 -155.9(2) n
O2 Cu1 O1 C32 -0.5(2) n
N6 Cu1 O1 C32 105.4(2) n
N1 Cu1 O2 C32 179.0(2) n
O1 Cu1 O2 C32 0.5(2) n
N3 Cu1 O2 C32 55.2(3) n
N6 Cu1 O2 C32 -89.1(2) n
Cu1 O1 C32 O2 0.8(3) n
Cu1 O1 C32 C31 -175.7(4) n
Cu1 O2 C32 O1 -0.8(3) n
Cu1 O2 C32 C31 175.7(4) n
