#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/50/2015005.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_2015005
loop_
_publ_author_name
'Graham King'
'Milan Gembicky'
'Philip Coppens'
_publ_section_title
;
 Two novel bis(2,9-dimethyl-1,10-phenanthroline)copper(I) complexes:
 [Cu(dmp)₂]₂(PF₆)₂·0.5(bpmh)·CH₃CN and
 [Cu(dmp)₂][N(CN)₂]
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m329
_journal_page_last               m332
_journal_paper_doi               10.1107/S0108270105010760
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac
'[Cu (C14 H12 N2)2]2 (P F6)2 (C12 H10 N4)0.5 , C2 H3 N'
_chemical_formula_moiety
'2C28 H24 Cu N4 + , 0.5C12 H10 N4 , 2F6 P - , C2 H3 N'
_chemical_formula_sum            'C64 H56 Cu2 F12 N11 P2'
_chemical_formula_weight         1396.24
_chemical_name_common            '[Cu(dmp)2]2[PF6]2ACN0.5bpmh'
_chemical_name_systematic
;Bis[bis(2,9-dimethyl-1,10-phenanthroline-κ²N,N')copper(I)]
bis(hexafluorophosphate)
 hemi[bis(4-pyridylmethylidyne)hydrazine] acetonitrile
solvate
;
_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   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                111.7760(10)
_cell_angle_beta                 91.6790(10)
_cell_angle_gamma                104.2120(10)
_cell_formula_units_Z            2
_cell_length_a                   13.6775(5)
_cell_length_b                   14.0221(5)
_cell_length_c                   17.2879(6)
_cell_measurement_reflns_used    22175
_cell_measurement_temperature    90.0(10)
_cell_measurement_theta_max      56.14
_cell_measurement_theta_min      4.86
_cell_volume                     2957.96(18)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      90.0(10)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0234
_diffrn_reflns_av_sigmaI/netI    0.0218
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            45314
_diffrn_reflns_theta_full        28.07
_diffrn_reflns_theta_max         28.07
_diffrn_reflns_theta_min         1.63
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.864
_exptl_absorpt_correction_T_max  0.9185
_exptl_absorpt_correction_T_min  0.7815
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cubic
_exptl_crystal_F_000             1426
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.029
_refine_diff_density_min         -0.687
_refine_ls_extinction_coef       0.0133(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     849
_refine_ls_number_reflns         14342
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0357
_refine_ls_R_factor_gt           0.0301
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0399P)²+2.1375P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0779
_refine_ls_wR_factor_ref         0.0821
_reflns_number_gt                12664
_reflns_number_total             14342
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            gg1253.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2015005
_cod_database_fobs_code          2015005
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_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
_atom_site_type_symbol
Cu1 0.040605(13) 0.253855(14) 0.263530(10) 0.01441(5) Uani d . 1 . . Cu
Cu2 0.672579(13) 0.806172(14) 0.246437(11) 0.01431(5) Uani d . 1 . . Cu
N1 -0.06378(9) 0.24801(10) 0.34476(7) 0.0136(2) Uani d . 1 . . N
N10 0.47393(9) 0.53999(9) 0.01087(8) 0.0153(2) Uani d . 1 . . N
N1S 0.81905(15) 0.76658(14) 0.46545(10) 0.0358(4) Uani d . 1 . . N
N2 0.12510(9) 0.37670(10) 0.36760(7) 0.0135(2) Uani d . 1 . . N
N3 0.01559(9) 0.24898(10) 0.14632(8) 0.0141(2) Uani d . 1 . . N
N4 0.11593(9) 0.14164(9) 0.20480(8) 0.0137(2) Uani d . 1 . . N
N5 0.57553(9) 0.79546(10) 0.33107(8) 0.0139(2) Uani d . 1 . . N
N6 0.76802(9) 0.91613(10) 0.35299(8) 0.0142(2) Uani d . 1 . . N
N7 0.62281(9) 0.83739(10) 0.14703(8) 0.0137(2) Uani d . 1 . . N
N8 0.72591(9) 0.70006(10) 0.15487(7) 0.0133(2) Uani d . 1 . . N
N9 0.30178(10) 0.80067(11) -0.03212(9) 0.0214(3) Uani d . 1 . . N
P1 0.14600(3) 0.69708(3) 0.21966(2) 0.01714(8) Uani d . 1 . . P
P2 0.50268(3) 0.28465(3) 0.31493(3) 0.02073(9) Uani d . 1 . . P
C1 -0.16077(11) 0.19075(12) 0.33093(9) 0.0157(3) Uani d . 1 . . C
C10 0.21810(11) 0.44096(12) 0.37644(9) 0.0158(3) Uani d . 1 . . C
C11 0.07941(11) 0.38281(11) 0.43757(9) 0.0129(3) Uani d . 1 . . C
C12 -0.02217(11) 0.31474(11) 0.42539(9) 0.0134(3) Uani d . 1 . . C
C13 -0.20631(12) 0.11992(13) 0.24186(10) 0.0212(3) Uani d . 1 . . C
C14 0.26407(12) 0.43455(13) 0.29755(10) 0.0205(3) Uani d . 1 . . C
C15 -0.03477(11) 0.30332(12) 0.11908(9) 0.0175(3) Uani d . 1 . . C
C16 -0.04474(12) 0.29005(13) 0.03426(10) 0.0214(3) Uani d . 1 . . C
C17 -0.00286(12) 0.21939(13) -0.02308(10) 0.0214(3) Uani d . 1 . . C
C18 0.05071(11) 0.16093(12) 0.00388(9) 0.0175(3) Uani d . 1 . . C
C19 0.09740(12) 0.08522(13) -0.05104(9) 0.0217(3) Uani d . 1 . . C
C1S 0.63604(17) 0.64642(17) 0.45241(14) 0.0386(5) Uani d . 1 . . C
C2 -0.21953(12) 0.19578(12) 0.39738(10) 0.0188(3) Uani d . 1 . . C
C20 0.15000(12) 0.03341(13) -0.02122(10) 0.0221(3) Uani d . 1 . . C
C21 0.16009(11) 0.05131(11) 0.06611(9) 0.0171(3) Uani d . 1 . . C
C22 0.21480(12) 0.00004(12) 0.10049(11) 0.0223(3) Uani d . 1 . . C
C23 0.21922(12) 0.02092(13) 0.18451(11) 0.0228(3) Uani d . 1 . . C
C24 0.16881(11) 0.09288(12) 0.23615(10) 0.0172(3) Uani d . 1 . . C
C25 0.11273(10) 0.12267(11) 0.12128(9) 0.0137(3) Uani d . 1 . . C
C26 0.05823(11) 0.17894(11) 0.08979(9) 0.0142(3) Uani d . 1 . . C
C27 -0.07941(13) 0.37991(13) 0.18357(10) 0.0239(3) Uani d . 1 . . C
C28 0.17500(12) 0.11756(13) 0.32837(10) 0.0215(3) Uani d . 1 . . C
C29 0.48094(11) 0.73270(12) 0.31818(9) 0.0156(3) Uani d . 1 . . C
C2S 0.73890(17) 0.71369(15) 0.45964(11) 0.0301(4) Uani d . 1 . . C
C3 -0.17666(12) 0.25851(12) 0.47867(10) 0.0185(3) Uani d . 1 . . C
C30 0.41959(12) 0.74442(13) 0.38379(10) 0.0197(3) Uani d . 1 . . C
C31 0.45818(12) 0.81936(13) 0.46308(10) 0.0207(3) Uani d . 1 . . C
C32 0.55868(12) 0.88548(12) 0.47866(9) 0.0173(3) Uani d . 1 . . C
C33 0.60658(13) 0.96354(13) 0.55986(10) 0.0211(3) Uani d . 1 . . C
C34 0.70476(13) 1.02150(12) 0.57177(9) 0.0202(3) Uani d . 1 . . C
C35 0.76390(12) 1.00678(12) 0.50304(9) 0.0167(3) Uani d . 1 . . C
C36 0.86818(12) 1.06060(12) 0.51247(10) 0.0196(3) Uani d . 1 . . C
C37 0.91908(12) 1.03938(12) 0.44358(10) 0.0197(3) Uani d . 1 . . C
C38 0.86685(11) 0.96654(12) 0.36375(10) 0.0170(3) Uani d . 1 . . C
C39 0.71787(11) 0.93400(11) 0.42207(9) 0.0141(3) Uani d . 1 . . C
C4 -0.07471(12) 0.32137(12) 0.49521(9) 0.0159(3) Uani d . 1 . . C
C40 0.61406(11) 0.87087(11) 0.40982(9) 0.0140(3) Uani d . 1 . . C
C41 0.44300(12) 0.64627(13) 0.23280(10) 0.0209(3) Uani d . 1 . . C
C42 0.92144(12) 0.94280(13) 0.28771(10) 0.0213(3) Uani d . 1 . . C
C43 0.57007(11) 0.90498(12) 0.14463(10) 0.0171(3) Uani d . 1 . . C
C44 0.55138(12) 0.92158(12) 0.07061(10) 0.0205(3) Uani d . 1 . . C
C45 0.58302(11) 0.86402(13) -0.00244(10) 0.0194(3) Uani d . 1 . . C
C46 0.63400(11) 0.78789(12) -0.00256(9) 0.0156(3) Uani d . 1 . . C
C47 0.66669(11) 0.72132(13) -0.07656(9) 0.0189(3) Uani d . 1 . . C
C48 0.71859(11) 0.65206(12) -0.07242(9) 0.0183(3) Uani d . 1 . . C
C49 0.74262(11) 0.64366(11) 0.00575(9) 0.0149(3) Uani d . 1 . . C
C5 -0.02428(13) 0.39214(12) 0.57785(9) 0.0191(3) Uani d . 1 . . C
C50 0.80055(11) 0.57673(12) 0.01424(9) 0.0177(3) Uani d . 1 . . C
C51 0.81996(12) 0.57407(12) 0.09145(10) 0.0188(3) Uani d . 1 . . C
C52 0.78010(11) 0.63548(12) 0.16128(9) 0.0156(3) Uani d . 1 . . C
C53 0.70873(10) 0.70556(11) 0.07859(9) 0.0128(3) Uani d . 1 . . C
C54 0.65335(10) 0.77895(11) 0.07434(9) 0.0131(3) Uani d . 1 . . C
C55 0.52859(13) 0.96034(13) 0.22321(10) 0.0232(3) Uani d . 1 . . C
C56 0.79633(13) 0.62968(14) 0.24541(10) 0.0232(3) Uani d . 1 . . C
C57 0.30835(12) 0.76635(13) 0.03050(10) 0.0197(3) Uani d . 1 . . C
C58 0.35327(11) 0.68677(12) 0.02729(9) 0.0167(3) Uani d . 1 . . C
C59 0.39316(11) 0.63723(11) -0.04593(9) 0.0146(3) Uani d . 1 . . C
C6 0.07193(13) 0.45518(12) 0.58913(9) 0.0188(3) Uani d . 1 . . C
C60 0.38425(11) 0.66947(12) -0.11216(9) 0.0171(3) Uani d . 1 . . C
C61 0.33947(12) 0.75172(13) -0.10185(10) 0.0205(3) Uani d . 1 . . C
C62 0.44654(11) 0.55590(11) -0.05365(9) 0.0151(3) Uani d . 1 . . C
C7 0.12588(12) 0.45358(11) 0.51905(9) 0.0154(3) Uani d . 1 . . C
C8 0.22439(12) 0.51994(12) 0.52706(9) 0.0182(3) Uani d . 1 . . C
C9 0.26995(12) 0.51343(12) 0.45611(10) 0.0185(3) Uani d . 1 . . C
F1 0.11599(11) 0.67094(12) 0.12319(7) 0.0497(3) Uani d . 1 . . F
F10 0.46927(10) 0.20364(10) 0.21930(7) 0.0434(3) Uani d . 1 A . F
F11 0.38836(9) 0.28045(13) 0.32952(9) 0.0525(4) Uani d . 1 A . F
F12A 0.5011(5) 0.3794(3) 0.2814(4) 0.0366(9) Uani d P 0.75(2) A 1 F
F12B 0.5445(19) 0.3864(6) 0.3063(9) 0.049(4) Uani d P 0.25(2) A 2 F
F2 0.18105(10) 0.58991(9) 0.19443(9) 0.0434(3) Uani d . 1 . . F
F3 0.03416(8) 0.63257(10) 0.22346(8) 0.0383(3) Uani d . 1 . . F
F4 0.17798(9) 0.72217(10) 0.31647(7) 0.0387(3) Uani d . 1 . . F
F5 0.11236(10) 0.80434(10) 0.24575(11) 0.0530(4) Uani d . 1 . . F
F6 0.25889(8) 0.76293(10) 0.21720(7) 0.0339(2) Uani d . 1 . . F
F7A 0.5081(8) 0.1951(4) 0.34637(19) 0.0539(16) Uani d P 0.75(2) A 1 F
F7B 0.4533(15) 0.1703(9) 0.3293(9) 0.039(3) Uani d P 0.25(2) A 2 F
F8 0.53765(10) 0.36878(12) 0.40928(8) 0.0515(4) Uani d . 1 A . F
F9 0.61847(10) 0.29397(16) 0.29918(8) 0.0684(5) Uani d . 1 A . F
H13A -0.1579 0.1328 0.2037 0.032 Uiso calc R 1 . . H
H13B -0.2692 0.1357 0.2287 0.032 Uiso calc R 1 . . H
H13C -0.2216 0.0450 0.2350 0.032 Uiso calc R 1 . . H
H14A 0.2478 0.3597 0.2582 0.031 Uiso calc R 1 . . H
H14B 0.3381 0.4642 0.3112 0.031 Uiso calc R 1 . . H
H14C 0.2363 0.4755 0.2717 0.031 Uiso calc R 1 . . H
H16 -0.0806 0.3302 0.0167 0.026 Uiso calc R 1 . . H
H17 -0.0099 0.2099 -0.0805 0.026 Uiso calc R 1 . . H
H19 0.0912 0.0713 -0.1094 0.026 Uiso calc R 1 . . H
H1S1 0.6210 0.6489 0.5081 0.058 Uiso calc R 1 . . H
H1S2 0.6311 0.5726 0.4150 0.058 Uiso calc R 1 . . H
H1S3 0.5870 0.6726 0.4293 0.058 Uiso calc R 1 . . H
H2 -0.2890 0.1555 0.3857 0.023 Uiso calc R 1 . . H
H20 0.1809 -0.0158 -0.0588 0.027 Uiso calc R 1 . . H
H22 0.2483 -0.0486 0.0656 0.027 Uiso calc R 1 . . H
H23 0.2563 -0.0130 0.2083 0.027 Uiso calc R 1 . . H
H27A -0.1033 0.3505 0.2251 0.036 Uiso calc R 1 . . H
H27B -0.1367 0.3912 0.1560 0.036 Uiso calc R 1 . . H
H27C -0.0274 0.4482 0.2118 0.036 Uiso calc R 1 . . H
H28A 0.2443 0.1594 0.3556 0.032 Uiso calc R 1 . . H
H28B 0.1577 0.0507 0.3374 0.032 Uiso calc R 1 . . H
H28C 0.1271 0.1587 0.3525 0.032 Uiso calc R 1 . . H
H3 -0.2153 0.2597 0.5236 0.022 Uiso calc R 1 . . H
H30 0.3517 0.7003 0.3729 0.024 Uiso calc R 1 . . H
H31 0.4174 0.8267 0.5074 0.025 Uiso calc R 1 . . H
H33 0.5688 0.9748 0.6061 0.025 Uiso calc R 1 . . H
H34 0.7350 1.0726 0.6263 0.024 Uiso calc R 1 . . H
H36 0.9026 1.1109 0.5660 0.023 Uiso calc R 1 . . H
H37 0.9896 1.0737 0.4495 0.024 Uiso calc R 1 . . H
H41A 0.4798 0.6666 0.1910 0.031 Uiso calc R 1 . . H
H41B 0.3701 0.6360 0.2194 0.031 Uiso calc R 1 . . H
H41C 0.4543 0.5796 0.2320 0.031 Uiso calc R 1 . . H
H42A 0.8728 0.8941 0.2378 0.032 Uiso calc R 1 . . H
H42B 0.9742 0.9094 0.2948 0.032 Uiso calc R 1 . . H
H42C 0.9529 1.0095 0.2809 0.032 Uiso calc R 1 . . H
H44 0.5167 0.9728 0.0713 0.025 Uiso calc R 1 . . H
H45 0.5708 0.8753 -0.0523 0.023 Uiso calc R 1 . . H
H47 0.6518 0.7258 -0.1289 0.023 Uiso calc R 1 . . H
H48 0.7394 0.6084 -0.1221 0.022 Uiso calc R 1 . . H
H5 -0.0587 0.3949 0.6252 0.023 Uiso calc R 1 . . H
H50 0.8258 0.5340 -0.0331 0.021 Uiso calc R 1 . . H
H51 0.8604 0.5307 0.0981 0.023 Uiso calc R 1 . . H
H55A 0.4632 0.9139 0.2256 0.035 Uiso calc R 1 . . H
H55B 0.5187 1.0272 0.2230 0.035 Uiso calc R 1 . . H
H55C 0.5767 0.9761 0.2724 0.035 Uiso calc R 1 . . H
H56A 0.7840 0.6924 0.2891 0.035 Uiso calc R 1 . . H
H56B 0.8665 0.6282 0.2565 0.035 Uiso calc R 1 . . H
H56C 0.7491 0.5647 0.2455 0.035 Uiso calc R 1 . . H
H57 0.2804 0.7988 0.0800 0.024 Uiso calc R 1 . . H
H58 0.3569 0.6663 0.0737 0.020 Uiso calc R 1 . . H
H6 0.1041 0.5012 0.6444 0.023 Uiso calc R 1 . . H
H60 0.4083 0.6359 -0.1636 0.021 Uiso calc R 1 . . H
H61 0.3355 0.7744 -0.1470 0.025 Uiso calc R 1 . . H
H62 0.4609 0.5145 -0.1073 0.018 Uiso calc R 1 . . H
H8 0.2591 0.5687 0.5809 0.022 Uiso calc R 1 . . H
H9 0.3365 0.5579 0.4609 0.022 Uiso calc R 1 . . H
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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_3
_geom_angle
_geom_angle_publ_flag
N1 Cu1 N2 . 82.42(5) yes
N1 Cu1 N3 . 127.02(5) yes
N1 Cu1 N4 . 128.14(5) yes
N2 Cu1 N3 . 128.70(5) yes
N2 Cu1 N4 . 113.29(5) yes
N3 Cu1 N4 . 82.54(5) yes
N5 Cu2 N6 . 82.24(5) yes
N5 Cu2 N7 . 117.54(5) yes
N5 Cu2 N8 . 134.81(5) yes
N6 Cu2 N7 . 125.71(5) yes
N6 Cu2 N8 . 120.45(5) yes
N7 Cu2 N8 . 82.30(5) yes
F1 P1 F5 . 90.67(9) ?
F1 P1 F3 . 90.08(7) ?
F5 P1 F3 . 90.64(7) ?
F1 P1 F2 . 89.95(8) ?
F5 P1 F2 . 179.24(8) ?
F3 P1 F2 . 89.80(7) ?
F1 P1 F4 . 178.84(8) ?
F5 P1 F4 . 90.34(8) ?
F3 P1 F4 . 90.47(6) ?
F2 P1 F4 . 89.04(7) ?
F1 P1 F6 . 90.65(7) ?
F5 P1 F6 . 89.07(7) ?
F3 P1 F6 . 179.22(7) ?
F2 P1 F6 . 90.49(7) ?
F4 P1 F6 . 88.81(6) ?
F12B P2 F7A . 153.7(8) ?
F12B P2 F11 . 105.2(10) ?
F7A P2 F11 . 95.4(4) ?
F12B P2 F8 . 76.2(6) ?
F7A P2 F8 . 88.21(19) ?
F11 P2 F8 . 88.85(7) ?
F12B P2 F10 . 101.8(6) ?
F7A P2 F10 . 93.62(18) ?
F11 P2 F10 . 91.82(7) ?
F8 P2 F10 . 177.99(8) ?
F12B P2 F9 . 72.0(10) ?
F7A P2 F9 . 87.4(4) ?
F11 P2 F9 . 177.18(10) ?
F8 P2 F9 . 90.87(7) ?
F10 P2 F9 . 88.36(7) ?
F7A P2 F12A . 178.0(3) ?
F11 P2 F12A . 86.56(17) ?
F8 P2 F12A . 91.7(2) ?
F10 P2 F12A . 86.4(2) ?
F9 P2 F12A . 90.64(18) ?
F12B P2 F7B . 177.4(4) ?
F11 P2 F7B . 73.5(5) ?
F8 P2 F7B . 101.5(5) ?
F10 P2 F7B . 80.5(5) ?
F9 P2 F7B . 109.3(5) ?
F12A P2 F7B . 155.7(5) ?
C1 N1 C12 . 118.40(12) ?
C1 N1 Cu1 . 130.64(10) ?
C12 N1 Cu1 . 110.96(9) ?
C10 N2 C11 . 118.74(12) ?
C10 N2 Cu1 . 129.68(10) ?
C11 N2 Cu1 . 111.23(9) ?
C15 N3 C26 . 118.61(13) ?
C15 N3 Cu1 . 129.28(10) ?
C26 N3 Cu1 . 112.11(9) ?
C24 N4 C25 . 118.68(12) ?
C24 N4 Cu1 . 130.60(10) ?
C25 N4 Cu1 . 110.60(9) ?
C29 N5 C40 . 118.88(12) ?
C29 N5 Cu2 . 129.05(10) ?
C40 N5 Cu2 . 111.85(10) ?
C38 N6 C39 . 118.34(13) ?
C38 N6 Cu2 . 130.65(10) ?
C39 N6 Cu2 . 110.96(10) ?
C43 N7 C54 . 118.36(13) ?
C43 N7 Cu2 . 130.50(10) ?
C54 N7 Cu2 . 111.12(9) ?
C52 N8 C53 . 118.62(12) ?
C52 N8 Cu2 . 129.14(10) ?
C53 N8 Cu2 . 111.99(9) ?
C61 N9 C57 . 116.57(13) ?
C62 N10 N10 2_665 111.19(15) ?
N1 C1 C2 . 121.62(14) ?
N1 C1 C13 . 117.86(13) ?
C2 C1 C13 . 120.52(14) ?
C3 C2 C1 . 120.15(14) ?
C3 C2 H2 . 119.9 ?
C1 C2 H2 . 119.9 ?
C2 C3 C4 . 119.53(13) ?
C2 C3 H3 . 120.2 ?
C4 C3 H3 . 120.2 ?
C12 C4 C3 . 116.93(14) ?
C12 C4 C5 . 119.45(14) ?
C3 C4 C5 . 123.61(13) ?
C6 C5 C4 . 120.75(14) ?
C6 C5 H5 . 119.6 ?
C4 C5 H5 . 119.6 ?
C5 C6 C7 . 121.12(14) ?
C5 C6 H6 . 119.4 ?
C7 C6 H6 . 119.4 ?
C11 C7 C8 . 117.29(13) ?
C11 C7 C6 . 119.34(14) ?
C8 C7 C6 . 123.38(14) ?
C9 C8 C7 . 119.31(14) ?
C9 C8 H8 . 120.3 ?
C7 C8 H8 . 120.3 ?
C8 C9 C10 . 120.08(14) ?
C8 C9 H9 . 120.0 ?
C10 C9 H9 . 120.0 ?
N2 C10 C9 . 121.52(13) ?
N2 C10 C14 . 117.02(13) ?
C9 C10 C14 . 121.44(14) ?
N2 C11 C7 . 123.06(13) ?
N2 C11 C12 . 117.20(12) ?
C7 C11 C12 . 119.72(13) ?
N1 C12 C4 . 123.25(14) ?
N1 C12 C11 . 117.19(12) ?
C4 C12 C11 . 119.54(13) ?
C1 C13 H13A . 109.5 ?
C1 C13 H13B . 109.5 ?
H13A C13 H13B . 109.5 ?
C1 C13 H13C . 109.5 ?
H13A C13 H13C . 109.5 ?
H13B C13 H13C . 109.5 ?
C10 C14 H14A . 109.5 ?
C10 C14 H14B . 109.5 ?
H14A C14 H14B . 109.5 ?
C10 C14 H14C . 109.5 ?
H14A C14 H14C . 109.5 ?
H14B C14 H14C . 109.5 ?
N3 C15 C16 . 121.74(14) ?
N3 C15 C27 . 116.65(13) ?
C16 C15 C27 . 121.61(14) ?
C17 C16 C15 . 120.11(15) ?
C17 C16 H16 . 119.9 ?
C15 C16 H16 . 119.9 ?
C16 C17 C18 . 119.39(14) ?
C16 C17 H17 . 120.3 ?
C18 C17 H17 . 120.3 ?
C26 C18 C17 . 117.35(14) ?
C26 C18 C19 . 118.94(14) ?
C17 C18 C19 . 123.72(14) ?
C20 C19 C18 . 121.08(14) ?
C20 C19 H19 . 119.5 ?
C18 C19 H19 . 119.5 ?
C19 C20 C21 . 121.15(14) ?
C19 C20 H20 . 119.4 ?
C21 C20 H20 . 119.4 ?
C25 C21 C22 . 117.37(14) ?
C25 C21 C20 . 119.24(14) ?
C22 C21 C20 . 123.38(14) ?
C23 C22 C21 . 119.37(14) ?
C23 C22 H22 . 120.3 ?
C21 C22 H22 . 120.3 ?
C22 C23 C24 . 120.18(15) ?
C22 C23 H23 . 119.9 ?
C24 C23 H23 . 119.9 ?
N4 C24 C23 . 121.45(14) ?
N4 C24 C28 . 118.14(13) ?
C23 C24 C28 . 120.40(14) ?
N4 C25 C21 . 122.92(14) ?
N4 C25 C26 . 117.53(12) ?
C21 C25 C26 . 119.55(13) ?
N3 C26 C18 . 122.81(14) ?
N3 C26 C25 . 117.20(12) ?
C18 C26 C25 . 120.00(13) ?
C15 C27 H27A . 109.5 ?
C15 C27 H27B . 109.5 ?
H27A C27 H27B . 109.5 ?
C15 C27 H27C . 109.5 ?
H27A C27 H27C . 109.5 ?
H27B C27 H27C . 109.5 ?
C24 C28 H28A . 109.5 ?
C24 C28 H28B . 109.5 ?
H28A C28 H28B . 109.5 ?
C24 C28 H28C . 109.5 ?
H28A C28 H28C . 109.5 ?
H28B C28 H28C . 109.5 ?
N5 C29 C30 . 121.32(14) ?
N5 C29 C41 . 117.76(13) ?
C30 C29 C41 . 120.87(14) ?
C31 C30 C29 . 120.01(14) ?
C31 C30 H30 . 120.0 ?
C29 C30 H30 . 120.0 ?
C30 C31 C32 . 119.73(14) ?
C30 C31 H31 . 120.1 ?
C32 C31 H31 . 120.1 ?
C40 C32 C31 . 116.94(14) ?
C40 C32 C33 . 119.33(14) ?
C31 C32 C33 . 123.71(14) ?
C34 C33 C32 . 121.10(14) ?
C34 C33 H33 . 119.5 ?
C32 C33 H33 . 119.5 ?
C33 C34 C35 . 120.84(14) ?
C33 C34 H34 . 119.6 ?
C35 C34 H34 . 119.6 ?
C39 C35 C36 . 117.21(14) ?
C39 C35 C34 . 119.38(14) ?
C36 C35 C34 . 123.39(14) ?
C37 C36 C35 . 119.28(14) ?
C37 C36 H36 . 120.4 ?
C35 C36 H36 . 120.4 ?
C36 C37 C38 . 120.13(15) ?
C36 C37 H37 . 119.9 ?
C38 C37 H37 . 119.9 ?
N6 C38 C37 . 121.70(14) ?
N6 C38 C42 . 117.55(13) ?
C37 C38 C42 . 120.75(14) ?
N6 C39 C35 . 123.26(14) ?
N6 C39 C40 . 117.05(13) ?
C35 C39 C40 . 119.65(13) ?
N5 C40 C32 . 123.09(14) ?
N5 C40 C39 . 117.23(12) ?
C32 C40 C39 . 119.62(13) ?
C29 C41 H41A . 109.5 ?
C29 C41 H41B . 109.5 ?
H41A C41 H41B . 109.5 ?
C29 C41 H41C . 109.5 ?
H41A C41 H41C . 109.5 ?
H41B C41 H41C . 109.5 ?
C38 C42 H42A . 109.5 ?
C38 C42 H42B . 109.5 ?
H42A C42 H42B . 109.5 ?
C38 C42 H42C . 109.5 ?
H42A C42 H42C . 109.5 ?
H42B C42 H42C . 109.5 ?
N7 C43 C44 . 121.54(14) ?
N7 C43 C55 . 117.37(13) ?
C44 C43 C55 . 121.07(14) ?
C45 C44 C43 . 120.28(14) ?
C45 C44 H44 . 119.9 ?
C43 C44 H44 . 119.9 ?
C44 C45 C46 . 119.16(14) ?
C44 C45 H45 . 120.4 ?
C46 C45 H45 . 120.4 ?
C54 C46 C45 . 117.20(14) ?
C54 C46 C47 . 119.66(14) ?
C45 C46 C47 . 123.14(14) ?
C48 C47 C46 . 120.61(14) ?
C48 C47 H47 . 119.7 ?
C46 C47 H47 . 119.7 ?
C47 C48 C49 . 121.08(14) ?
C47 C48 H48 . 119.5 ?
C49 C48 H48 . 119.5 ?
C53 C49 C50 . 117.28(13) ?
C53 C49 C48 . 119.39(13) ?
C50 C49 C48 . 123.32(13) ?
C51 C50 C49 . 119.27(13) ?
C51 C50 H50 . 120.4 ?
C49 C50 H50 . 120.4 ?
C50 C51 C52 . 120.31(14) ?
C50 C51 H51 . 119.8 ?
C52 C51 H51 . 119.8 ?
N8 C52 C51 . 121.41(13) ?
N8 C52 C56 . 117.47(13) ?
C51 C52 C56 . 121.12(13) ?
N8 C53 C49 . 123.03(13) ?
N8 C53 C54 . 117.35(12) ?
C49 C53 C54 . 119.62(13) ?
N7 C54 C46 . 123.32(13) ?
N7 C54 C53 . 117.10(12) ?
C46 C54 C53 . 119.58(13) ?
C43 C55 H55A . 109.5 ?
C43 C55 H55B . 109.5 ?
H55A C55 H55B . 109.5 ?
C43 C55 H55C . 109.5 ?
H55A C55 H55C . 109.5 ?
H55B C55 H55C . 109.5 ?
C52 C56 H56A . 109.5 ?
C52 C56 H56B . 109.5 ?
H56A C56 H56B . 109.5 ?
C52 C56 H56C . 109.5 ?
H56A C56 H56C . 109.5 ?
H56B C56 H56C . 109.5 ?
N9 C57 C58 . 124.20(14) ?
N9 C57 H57 . 117.9 ?
C58 C57 H57 . 117.9 ?
C57 C58 C59 . 118.35(14) ?
C57 C58 H58 . 120.8 ?
C59 C58 H58 . 120.8 ?
C60 C59 C58 . 118.18(13) ?
C60 C59 C62 . 119.51(13) ?
C58 C59 C62 . 122.27(13) ?
C59 C60 C61 . 118.88(14) ?
C59 C60 H60 . 120.6 ?
C61 C60 H60 . 120.6 ?
N9 C61 C60 . 123.77(14) ?
N9 C61 H61 . 118.1 ?
C60 C61 H61 . 118.1 ?
N10 C62 C59 . 120.86(13) ?
N10 C62 H62 . 119.6 ?
C59 C62 H62 . 119.6 ?
C2S C1S H1S1 . 109.5 ?
C2S C1S H1S2 . 109.5 ?
H1S1 C1S H1S2 . 109.5 ?
C2S C1S H1S3 . 109.5 ?
H1S1 C1S H1S3 . 109.5 ?
H1S2 C1S H1S3 . 109.5 ?
N1S C2S C1S . 179.7(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 N1 . 2.0402(12) yes
Cu1 N2 . 2.0350(12) yes
Cu1 N3 . 2.0182(12) yes
Cu1 N4 . 2.0591(12) yes
Cu2 N5 . 2.0259(12) yes
Cu2 N6 . 2.0587(12) yes
Cu2 N7 . 2.0602(12) yes
Cu2 N8 . 2.0261(12) yes
P1 F1 . 1.5865(12) ?
P1 F5 . 1.5893(12) ?
P1 F3 . 1.5916(11) ?
P1 F2 . 1.5993(12) ?
P1 F4 . 1.6002(11) ?
P1 F6 . 1.6035(11) ?
P2 F12B . 1.465(9) ?
P2 F7A . 1.558(3) ?
P2 F11 . 1.5814(13) ?
P2 F8 . 1.5908(12) ?
P2 F10 . 1.5937(11) ?
P2 F9 . 1.5966(13) ?
P2 F12A . 1.639(3) ?
P2 F7B . 1.692(8) ?
N1 C1 . 1.3332(19) ?
N1 C12 . 1.3664(18) ?
N2 C10 . 1.3330(19) ?
N2 C11 . 1.3618(18) ?
N3 C15 . 1.3347(19) ?
N3 C26 . 1.3647(18) ?
N4 C24 . 1.3338(19) ?
N4 C25 . 1.3649(18) ?
N5 C29 . 1.3328(19) ?
N5 C40 . 1.3658(18) ?
N6 C38 . 1.3342(19) ?
N6 C39 . 1.3674(18) ?
N7 C43 . 1.3354(19) ?
N7 C54 . 1.3638(18) ?
N8 C52 . 1.3346(18) ?
N8 C53 . 1.3661(18) ?
N9 C61 . 1.337(2) ?
N9 C57 . 1.347(2) ?
N10 C62 . 1.279(2) ?
N10 N10 2_665 1.415(2) ?
C1 C2 . 1.412(2) ?
C1 C13 . 1.500(2) ?
C2 C3 . 1.369(2) ?
C2 H2 . 0.9500 ?
C3 C4 . 1.410(2) ?
C3 H3 . 0.9500 ?
C4 C12 . 1.4079(19) ?
C4 C5 . 1.434(2) ?
C5 C6 . 1.355(2) ?
C5 H5 . 0.9500 ?
C6 C7 . 1.433(2) ?
C6 H6 . 0.9500 ?
C7 C11 . 1.4049(19) ?
C7 C8 . 1.406(2) ?
C8 C9 . 1.375(2) ?
C8 H8 . 0.9500 ?
C9 C10 . 1.408(2) ?
C9 H9 . 0.9500 ?
C10 C14 . 1.500(2) ?
C11 C12 . 1.438(2) ?
C13 H13A . 0.9800 ?
C13 H13B . 0.9800 ?
C13 H13C . 0.9800 ?
C14 H14A . 0.9800 ?
C14 H14B . 0.9800 ?
C14 H14C . 0.9800 ?
C15 C16 . 1.406(2) ?
C15 C27 . 1.498(2) ?
C16 C17 . 1.370(2) ?
C16 H16 . 0.9500 ?
C17 C18 . 1.409(2) ?
C17 H17 . 0.9500 ?
C18 C26 . 1.4072(19) ?
C18 C19 . 1.434(2) ?
C19 C20 . 1.351(3) ?
C19 H19 . 0.9500 ?
C20 C21 . 1.432(2) ?
C20 H20 . 0.9500 ?
C21 C25 . 1.4060(19) ?
C21 C22 . 1.409(2) ?
C22 C23 . 1.367(2) ?
C22 H22 . 0.9500 ?
C23 C24 . 1.414(2) ?
C23 H23 . 0.9500 ?
C24 C28 . 1.496(2) ?
C25 C26 . 1.435(2) ?
C27 H27A . 0.9800 ?
C27 H27B . 0.9800 ?
C27 H27C . 0.9800 ?
C28 H28A . 0.9800 ?
C28 H28B . 0.9800 ?
C28 H28C . 0.9800 ?
C29 C30 . 1.415(2) ?
C29 C41 . 1.495(2) ?
C30 C31 . 1.371(2) ?
C30 H30 . 0.9500 ?
C31 C32 . 1.410(2) ?
C31 H31 . 0.9500 ?
C32 C40 . 1.4073(19) ?
C32 C33 . 1.432(2) ?
C33 C34 . 1.353(2) ?
C33 H33 . 0.9500 ?
C34 C35 . 1.437(2) ?
C34 H34 . 0.9500 ?
C35 C39 . 1.404(2) ?
C35 C36 . 1.413(2) ?
C36 C37 . 1.371(2) ?
C36 H36 . 0.9500 ?
C37 C38 . 1.413(2) ?
C37 H37 . 0.9500 ?
C38 C42 . 1.500(2) ?
C39 C40 . 1.439(2) ?
C41 H41A . 0.9800 ?
C41 H41B . 0.9800 ?
C41 H41C . 0.9800 ?
C42 H42A . 0.9800 ?
C42 H42B . 0.9800 ?
C42 H42C . 0.9800 ?
C43 C44 . 1.410(2) ?
C43 C55 . 1.500(2) ?
C44 C45 . 1.371(2) ?
C44 H44 . 0.9500 ?
C45 C46 . 1.411(2) ?
C45 H45 . 0.9500 ?
C46 C54 . 1.4044(19) ?
C46 C47 . 1.435(2) ?
C47 C48 . 1.356(2) ?
C47 H47 . 0.9500 ?
C48 C49 . 1.435(2) ?
C48 H48 . 0.9500 ?
C49 C53 . 1.4052(19) ?
C49 C50 . 1.411(2) ?
C50 C51 . 1.369(2) ?
C50 H50 . 0.9500 ?
C51 C52 . 1.412(2) ?
C51 H51 . 0.9500 ?
C52 C56 . 1.500(2) ?
C53 C54 . 1.4401(19) ?
C55 H55A . 0.9800 ?
C55 H55B . 0.9800 ?
C55 H55C . 0.9800 ?
C56 H56A . 0.9800 ?
C56 H56B . 0.9800 ?
C56 H56C . 0.9800 ?
C57 C58 . 1.385(2) ?
C57 H57 . 0.9500 ?
C58 C59 . 1.399(2) ?
C58 H58 . 0.9500 ?
C59 C60 . 1.390(2) ?
C59 C62 . 1.4673(19) ?
C60 C61 . 1.392(2) ?
C60 H60 . 0.9500 ?
C61 H61 . 0.9500 ?
C62 H62 . 0.9500 ?
N1S C2S . 1.141(3) ?
C1S C2S . 1.461(3) ?
C1S H1S1 . 0.9800 ?
C1S H1S2 . 0.9800 ?
C1S H1S3 . 0.9800 ?
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
N3 Cu1 N1 C1 . 38.97(15)
N2 Cu1 N1 C1 . 172.56(13)
N4 Cu1 N1 C1 . -73.69(14)
N3 Cu1 N1 C12 . -141.76(9)
N2 Cu1 N1 C12 . -8.16(9)
N4 Cu1 N1 C12 . 105.59(10)
N3 Cu1 N2 C10 . -45.98(14)
N1 Cu1 N2 C10 . -178.17(13)
N4 Cu1 N2 C10 . 53.44(13)
N3 Cu1 N2 C11 . 141.01(9)
N1 Cu1 N2 C11 . 8.82(9)
N4 Cu1 N2 C11 . -119.57(9)
N2 Cu1 N3 C15 . -66.13(14)
N1 Cu1 N3 C15 . 46.98(15)
N4 Cu1 N3 C15 . 179.92(13)
N2 Cu1 N3 C26 . 113.73(10)
N1 Cu1 N3 C26 . -133.16(9)
N4 Cu1 N3 C26 . -0.22(9)
N3 Cu1 N4 C24 . 176.80(13)
N2 Cu1 N4 C24 . 47.74(14)
N1 Cu1 N4 C24 . -51.20(15)
N3 Cu1 N4 C25 . 0.92(9)
N2 Cu1 N4 C25 . -128.14(9)
N1 Cu1 N4 C25 . 132.92(9)
N8 Cu2 N5 C29 . -52.44(15)
N6 Cu2 N5 C29 . -178.28(13)
N7 Cu2 N5 C29 . 55.32(13)
N8 Cu2 N5 C40 . 133.19(9)
N6 Cu2 N5 C40 . 7.35(9)
N7 Cu2 N5 C40 . -119.05(9)
N5 Cu2 N6 C38 . 171.54(13)
N8 Cu2 N6 C38 . 33.39(14)
N7 Cu2 N6 C38 . -69.98(14)
N5 Cu2 N6 C39 . -6.00(9)
N8 Cu2 N6 C39 . -144.15(9)
N7 Cu2 N6 C39 . 112.48(10)
N5 Cu2 N7 C43 . 41.70(14)
N8 Cu2 N7 C43 . 178.71(13)
N6 Cu2 N7 C43 . -59.11(14)
N5 Cu2 N7 C54 . -140.11(9)
N8 Cu2 N7 C54 . -3.10(9)
N6 Cu2 N7 C54 . 119.09(9)
N5 Cu2 N8 C52 . -61.07(15)
N6 Cu2 N8 C52 . 50.22(14)
N7 Cu2 N8 C52 . 177.36(13)
N5 Cu2 N8 C53 . 124.79(10)
N6 Cu2 N8 C53 . -123.92(9)
N7 Cu2 N8 C53 . 3.22(9)
C12 N1 C1 C2 . -1.6(2)
Cu1 N1 C1 C2 . 177.63(11)
C12 N1 C1 C13 . 178.46(13)
Cu1 N1 C1 C13 . -2.3(2)
N1 C1 C2 C3 . -1.6(2)
C13 C1 C2 C3 . 178.33(14)
C1 C2 C3 C4 . 2.6(2)
C2 C3 C4 C12 . -0.5(2)
C2 C3 C4 C5 . 177.89(14)
C12 C4 C5 C6 . 2.3(2)
C3 C4 C5 C6 . -176.05(14)
C4 C5 C6 C7 . 0.4(2)
C5 C6 C7 C11 . -2.2(2)
C5 C6 C7 C8 . 177.75(14)
C11 C7 C8 C9 . 0.4(2)
C6 C7 C8 C9 . -179.49(14)
C7 C8 C9 C10 . 0.0(2)
C11 N2 C10 C9 . 0.8(2)
Cu1 N2 C10 C9 . -171.80(11)
C11 N2 C10 C14 . -177.78(13)
Cu1 N2 C10 C14 . 9.65(19)
C8 C9 C10 N2 . -0.7(2)
C8 C9 C10 C14 . 177.81(14)
C10 N2 C11 C7 . -0.3(2)
Cu1 N2 C11 C7 . 173.61(11)
C10 N2 C11 C12 . 178.05(12)
Cu1 N2 C11 C12 . -8.08(15)
C8 C7 C11 N2 . -0.3(2)
C6 C7 C11 N2 . 179.58(13)
C8 C7 C11 C12 . -178.61(12)
C6 C7 C11 C12 . 1.3(2)
C1 N1 C12 C4 . 3.9(2)
Cu1 N1 C12 C4 . -175.49(11)
C1 N1 C12 C11 . -174.36(12)
Cu1 N1 C12 C11 . 6.26(15)
C3 C4 C12 N1 . -2.8(2)
C5 C4 C12 N1 . 178.73(13)
C3 C4 C12 C11 . 175.36(12)
C5 C4 C12 C11 . -3.1(2)
N2 C11 C12 N1 . 1.24(18)
C7 C11 C12 N1 . 179.60(12)
N2 C11 C12 C4 . -177.08(12)
C7 C11 C12 C4 . 1.3(2)
C26 N3 C15 C16 . 0.0(2)
Cu1 N3 C15 C16 . 179.86(11)
C26 N3 C15 C27 . -179.48(13)
Cu1 N3 C15 C27 . 0.4(2)
N3 C15 C16 C17 . 0.5(2)
C27 C15 C16 C17 . 179.92(15)
C15 C16 C17 C18 . -0.4(2)
C16 C17 C18 C26 . 0.0(2)
C16 C17 C18 C19 . -179.93(14)
C26 C18 C19 C20 . -1.6(2)
C17 C18 C19 C20 . 178.34(15)
C18 C19 C20 C21 . 0.7(2)
C19 C20 C21 C25 . 1.2(2)
C19 C20 C21 C22 . -179.46(15)
C25 C21 C22 C23 . 0.3(2)
C20 C21 C22 C23 . -179.09(15)
C21 C22 C23 C24 . 0.3(2)
C25 N4 C24 C23 . -1.4(2)
Cu1 N4 C24 C23 . -176.96(11)
C25 N4 C24 C28 . 177.70(13)
Cu1 N4 C24 C28 . 2.1(2)
C22 C23 C24 N4 . 0.2(2)
C22 C23 C24 C28 . -178.86(15)
C24 N4 C25 C21 . 2.1(2)
Cu1 N4 C25 C21 . 178.50(11)
C24 N4 C25 C26 . -177.92(13)
Cu1 N4 C25 C26 . -1.48(15)
C22 C21 C25 N4 . -1.5(2)
C20 C21 C25 N4 . 177.88(13)
C22 C21 C25 C26 . 178.46(13)
C20 C21 C25 C26 . -2.1(2)
C15 N3 C26 C18 . -0.5(2)
Cu1 N3 C26 C18 . 179.62(11)
C15 N3 C26 C25 . 179.35(13)
Cu1 N3 C26 C25 . -0.52(15)
C17 C18 C26 N3 . 0.5(2)
C19 C18 C26 N3 . -179.58(13)
C17 C18 C26 C25 . -179.35(13)
C19 C18 C26 C25 . 0.6(2)
N4 C25 C26 N3 . 1.40(19)
C21 C25 C26 N3 . -178.59(12)
N4 C25 C26 C18 . -178.74(12)
C21 C25 C26 C18 . 1.3(2)
C40 N5 C29 C30 . 1.4(2)
Cu2 N5 C29 C30 . -172.65(11)
C40 N5 C29 C41 . -176.17(13)
Cu2 N5 C29 C41 . 9.80(19)
N5 C29 C30 C31 . -1.9(2)
C41 C29 C30 C31 . 175.53(15)
C29 C30 C31 C32 . 0.8(2)
C30 C31 C32 C40 . 0.8(2)
C30 C31 C32 C33 . -177.92(15)
C40 C32 C33 C34 . -1.6(2)
C31 C32 C33 C34 . 177.07(15)
C32 C33 C34 C35 . 0.3(2)
C33 C34 C35 C39 . 2.3(2)
C33 C34 C35 C36 . -176.38(14)
C39 C35 C36 C37 . -0.4(2)
C34 C35 C36 C37 . 178.32(14)
C35 C36 C37 C38 . 1.7(2)
C39 N6 C38 C37 . -1.9(2)
Cu2 N6 C38 C37 . -179.33(10)
C39 N6 C38 C42 . 177.79(13)
Cu2 N6 C38 C42 . 0.4(2)
C36 C37 C38 N6 . -0.5(2)
C36 C37 C38 C42 . 179.77(14)
C38 N6 C39 C35 . 3.3(2)
Cu2 N6 C39 C35 . -178.78(11)
C38 N6 C39 C40 . -174.15(12)
Cu2 N6 C39 C40 . 3.74(15)
C36 C35 C39 N6 . -2.2(2)
C34 C35 C39 N6 . 179.08(13)
C36 C35 C39 C40 . 175.24(13)
C34 C35 C39 C40 . -3.5(2)
C29 N5 C40 C32 . 0.3(2)
Cu2 N5 C40 C32 . 175.29(11)
C29 N5 C40 C39 . 177.42(12)
Cu2 N5 C40 C39 . -7.57(15)
C31 C32 C40 N5 . -1.4(2)
C33 C32 C40 N5 . 177.40(13)
C31 C32 C40 C39 . -178.43(13)
C33 C32 C40 C39 . 0.3(2)
N6 C39 C40 N5 . 2.56(18)
C35 C39 C40 N5 . -175.02(12)
N6 C39 C40 C32 . 179.80(12)
C35 C39 C40 C32 . 2.2(2)
C54 N7 C43 C44 . -4.0(2)
Cu2 N7 C43 C44 . 174.06(11)
C54 N7 C43 C55 . 174.17(13)
Cu2 N7 C43 C55 . -7.7(2)
N7 C43 C44 C45 . 3.3(2)
C55 C43 C44 C45 . -174.85(15)
C43 C44 C45 C46 . 0.3(2)
C44 C45 C46 C54 . -2.7(2)
C44 C45 C46 C47 . 177.73(14)
C54 C46 C47 C48 . -1.9(2)
C45 C46 C47 C48 . 177.67(14)
C46 C47 C48 C49 . -0.3(2)
C47 C48 C49 C53 . 2.2(2)
C47 C48 C49 C50 . -176.86(14)
C53 C49 C50 C51 . 0.7(2)
C48 C49 C50 C51 . 179.83(14)
C49 C50 C51 C52 . 1.7(2)
C53 N8 C52 C51 . 0.4(2)
Cu2 N8 C52 C51 . -173.41(11)
C53 N8 C52 C56 . -179.02(13)
Cu2 N8 C52 C56 . 7.2(2)
C50 C51 C52 N8 . -2.3(2)
C50 C51 C52 C56 . 177.06(15)
C52 N8 C53 C49 . 2.2(2)
Cu2 N8 C53 C49 . 177.00(11)
C52 N8 C53 C54 . -177.69(12)
Cu2 N8 C53 C54 . -2.87(15)
C50 C49 C53 N8 . -2.7(2)
C48 C49 C53 N8 . 178.12(13)
C50 C49 C53 C54 . 177.13(13)
C48 C49 C53 C54 . -2.0(2)
C43 N7 C54 C46 . 1.4(2)
Cu2 N7 C54 C46 . -177.05(11)
C43 N7 C54 C53 . -179.08(12)
Cu2 N7 C54 C53 . 2.49(15)
C45 C46 C54 N7 . 2.0(2)
C47 C46 C54 N7 . -178.44(13)
C45 C46 C54 C53 . -177.54(13)
C47 C46 C54 C53 . 2.0(2)
N8 C53 C54 N7 . 0.22(19)
C49 C53 C54 N7 . -179.65(12)
N8 C53 C54 C46 . 179.78(12)
C49 C53 C54 C46 . -0.1(2)
C61 N9 C57 C58 . 1.6(2)
N9 C57 C58 C59 . -1.1(2)
C57 C58 C59 C60 . -0.9(2)
C57 C58 C59 C62 . 176.94(14)
C58 C59 C60 C61 . 2.2(2)
C62 C59 C60 C61 . -175.74(14)
C57 N9 C61 C60 . -0.2(2)
C59 C60 C61 N9 . -1.7(2)
N10 N10 C62 C59 2_665 -178.60(14)
C60 C59 C62 N10 . 165.82(14)
C58 C59 C62 N10 . -12.0(2)
