#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:12:49 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179317 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/14/4321408.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_4321408
loop_
_publ_author_name
'Graham A. Bowmaker'
'Hans Hartl'
'Victoria Urban'
_publ_contact_author
;
     Prof. Dr. Hans Hartl
     Institut für Chemie / Anorganische und Analytische Chemie
     Freie Universität Berlin
     Fabeckstr. 34-36
     14195 Berlin
     Bundesrepublik Deutschland
;
_publ_contact_author_email       hartl@chemie.fu-berlin.de
_publ_contact_author_fax         '049 30 83852424'
_publ_contact_author_phone       '049 30 83854003'
_publ_section_title
;
 Crystal Structures and Vibrational Spectroscopy of [NBu4][Cu(CN)X] (X =
 Br, I) and [NBu4][Cu3(CN)4].CH3CN
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4548
_journal_page_last               4554
_journal_paper_doi               10.1021/ic000399s
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C34 H72 Cu2 I2 N4'
_chemical_formula_weight         917.84
_chemical_name_systematic
;
 Tetra(n-butyl)ammonium iodo(cyano)cuprate(I)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.710(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.683(2)
_cell_length_b                   12.233(2)
_cell_length_c                   17.632(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.00
_cell_measurement_theta_min      2.49
_cell_volume                     4345.1(11)
_computing_cell_refinement       'ENRAF-NONIUS CAD4'
_computing_data_collection       'ENRAF-NONIUS CAD4'
_computing_data_reduction        'MOLEN DELFT INSTRUMENTS'
_computing_molecular_graphics    ORTEP32
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.925
_diffrn_measured_fraction_theta_max 0.925
_diffrn_measurement_device_type  'Enraf-Nonius CAD4'
_diffrn_measurement_method       OMEGA-THETA-SCAN
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0303
_diffrn_reflns_av_sigmaI/netI    0.0473
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -3
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            7121
_diffrn_reflns_theta_full        23.00
_diffrn_reflns_theta_max         23.00
_diffrn_reflns_theta_min         2.49
_exptl_absorpt_coefficient_mu    2.424
_exptl_absorpt_correction_T_max  0.97
_exptl_absorpt_correction_T_min  0.94
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.403
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle-sharped
_exptl_crystal_F_000             1872
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.045
_refine_diff_density_min         -0.734
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     315
_refine_ls_number_reflns         5596
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0697
_refine_ls_R_factor_gt           0.0344
_refine_ls_shift/su_max          0.282
_refine_ls_shift/su_mean         0.019
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0458P)²+3.0276P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0788
_refine_ls_wR_factor_ref         0.0904
_reflns_number_gt                3951
_reflns_number_total             5596
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic000399s_2.cif
_cod_data_source_block           new2t
_cod_database_code               4321408
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
I2 I 0.427599(17) 0.69550(3) 0.38295(2) 0.02728(13) Uani 1 1 d . . .
I1 I 0.063828(17) 0.69949(3) 0.45067(2) 0.02657(13) Uani 1 1 d . . .
Cu2 Cu 0.29753(3) 0.69639(6) 0.31747(4) 0.03010(19) Uani 1 1 d . . .
Cu1 Cu 0.19309(3) 0.71563(6) 0.52275(4) 0.0294(2) Uani 1 1 d . . .
N1 N 0.2350(3) 0.6893(5) 0.4465(4) 0.0349(18) Uani 0.51(5) 1 d P . .
C11 C 0.2350(3) 0.6893(5) 0.4465(4) 0.0349(18) Uani 0.49(5) 1 d P . .
C1 C 0.2597(3) 0.6856(5) 0.3993(4) 0.0372(19) Uani 0.51(5) 1 d P . .
N11 N 0.2597(3) 0.6856(5) 0.3993(4) 0.0372(19) Uani 0.49(5) 1 d P . .
N2 N 0.2572(3) 0.7209(4) 0.2036(4) 0.0274(16) Uani 0.51(5) 1 d P . .
C22 C 0.2572(3) 0.7209(4) 0.2036(4) 0.0274(16) Uani 0.49(5) 1 d P . .
C2 C 0.2300(3) 0.7554(4) 0.6346(4) 0.0291(17) Uani 0.51(5) 1 d P . .
N22 N 0.2300(3) 0.7554(4) 0.6346(4) 0.0291(17) Uani 0.49(5) 1 d P . .
N3 N 0.4319(2) 0.8896(3) 0.1560(2) 0.0190(10) Uani 1 1 d . . .
C311 C 0.4131(3) 0.7716(4) 0.1617(3) 0.0210(13) Uani 1 1 d . . .
H31A H 0.4398 0.7445 0.2156 0.025 Uiso 1 1 calc . . .
H31B H 0.3671 0.7695 0.1569 0.025 Uiso 1 1 calc . . .
C312 C 0.4211(3) 0.6944(5) 0.0992(3) 0.0266(13) Uani 1 1 d . . .
H31C H 0.3934 0.7184 0.0448 0.032 Uiso 1 1 calc . . .
H31D H 0.4669 0.6949 0.1030 0.032 Uiso 1 1 calc . . .
C313 C 0.4018(3) 0.5806(5) 0.1133(3) 0.0334(15) Uani 1 1 d . . .
H31E H 0.3549 0.5795 0.1046 0.040 Uiso 1 1 calc . . .
H31F H 0.4264 0.5602 0.1696 0.040 Uiso 1 1 calc . . .
C314 C 0.4150(3) 0.4971(5) 0.0575(4) 0.0474(18) Uani 1 1 d . . .
H31G H 0.3873 0.5125 0.0019 0.071 Uiso 1 1 calc . . .
H31H H 0.4054 0.4252 0.0719 0.071 Uiso 1 1 calc . . .
H31I H 0.4608 0.5010 0.0633 0.071 Uiso 1 1 calc . . .
C321 C 0.4303(3) 0.9515(4) 0.2300(3) 0.0213(13) Uani 1 1 d . . .
H32A H 0.4487 1.0238 0.2301 0.026 Uiso 1 1 calc . . .
H32B H 0.4591 0.9142 0.2788 0.026 Uiso 1 1 calc . . .
C322 C 0.3619(3) 0.9640(4) 0.2349(3) 0.0248(13) Uani 1 1 d . . .
H32C H 0.3415 0.8928 0.2320 0.030 Uiso 1 1 calc . . .
H32D H 0.3336 1.0077 0.1895 0.030 Uiso 1 1 calc . . .
C323 C 0.3695(3) 1.0197(5) 0.3156(3) 0.0263(14) Uani 1 1 d . . .
H32E H 0.4005 0.9784 0.3605 0.032 Uiso 1 1 calc . . .
H32F H 0.3876 1.0924 0.3167 0.032 Uiso 1 1 calc . . .
C324 C 0.3032(3) 1.0279(5) 0.3266(4) 0.0349(15) Uani 1 1 d . . .
H32G H 0.2733 1.0724 0.2840 0.052 Uiso 1 1 calc . . .
H32H H 0.3099 1.0604 0.3786 0.052 Uiso 1 1 calc . . .
H32I H 0.2846 0.9562 0.3242 0.052 Uiso 1 1 calc . . .
C331 C 0.5019(3) 0.8977(4) 0.1562(3) 0.0216(13) Uani 1 1 d . . .
H33A H 0.5132 0.9744 0.1566 0.026 Uiso 1 1 calc . . .
H33B H 0.5020 0.8666 0.1056 0.026 Uiso 1 1 calc . . .
C332 C 0.5559(3) 0.8416(5) 0.2269(3) 0.0249(13) Uani 1 1 d . . .
H33C H 0.5538 0.8661 0.2782 0.030 Uiso 1 1 calc . . .
H33D H 0.5490 0.7631 0.2231 0.030 Uiso 1 1 calc . . .
C333 C 0.6235(3) 0.8685(6) 0.2246(4) 0.0454(18) Uani 1 1 d . . .
H33E H 0.6255 0.8421 0.1737 0.054 Uiso 1 1 calc . . .
H33F H 0.6290 0.9472 0.2260 0.054 Uiso 1 1 calc . . .
C334 C 0.6800(3) 0.8185(6) 0.2951(4) 0.0496(19) Uani 1 1 d . . .
H33G H 0.6778 0.8429 0.3457 0.074 Uiso 1 1 calc . . .
H33H H 0.7216 0.8405 0.2922 0.074 Uiso 1 1 calc . . .
H33I H 0.6765 0.7402 0.2920 0.074 Uiso 1 1 calc . . .
C341 C 0.3843(3) 0.9379(4) 0.0771(3) 0.0200(12) Uani 1 1 d . . .
H34A H 0.3393 0.9235 0.0736 0.024 Uiso 1 1 calc . . .
H34B H 0.3904 0.9002 0.0320 0.024 Uiso 1 1 calc . . .
C342 C 0.3912(3) 1.0596(4) 0.0663(3) 0.0251(13) Uani 1 1 d . . .
H34C H 0.3799 1.0991 0.1070 0.030 Uiso 1 1 calc . . .
H34D H 0.4370 1.0764 0.0745 0.030 Uiso 1 1 calc . . .
C343 C 0.3466(3) 1.0962(5) -0.0176(4) 0.0386(16) Uani 1 1 d . . .
H34E H 0.3010 1.0776 -0.0263 0.046 Uiso 1 1 calc . . .
H34F H 0.3587 1.0580 -0.0582 0.046 Uiso 1 1 calc . . .
C344 C 0.3520(3) 1.2187(5) -0.0280(4) 0.0483(19) Uani 1 1 d . . .
H34G H 0.3240 1.2563 -0.0051 0.072 Uiso 1 1 calc . . .
H34H H 0.3381 1.2358 -0.0850 0.072 Uiso 1 1 calc . . .
H34I H 0.3972 1.2414 -0.0004 0.072 Uiso 1 1 calc . . .
N4 N 0.0713(2) 0.8766(3) 0.2188(2) 0.0196(10) Uani 1 1 d . . .
C411 C 0.1171(3) 0.9240(4) 0.1778(3) 0.0222(13) Uani 1 1 d . . .
H41A H 0.1627 0.9089 0.2128 0.027 Uiso 1 1 calc . . .
H41B H 0.1084 0.8855 0.1268 0.027 Uiso 1 1 calc . . .
C412 C 0.1106(3) 1.0446(5) 0.1602(3) 0.0241(13) Uani 1 1 d . . .
H41C H 0.1255 1.0853 0.2111 0.029 Uiso 1 1 calc . . .
H41D H 0.0645 1.0629 0.1300 0.029 Uiso 1 1 calc . . .
C413 C 0.1526(3) 1.0755(5) 0.1104(3) 0.0303(14) Uani 1 1 d . . .
H41E H 0.1976 1.0496 0.1384 0.036 Uiso 1 1 calc . . .
H41F H 0.1348 1.0395 0.0577 0.036 Uiso 1 1 calc . . .
C414 C 0.1538(3) 1.1961(5) 0.0979(4) 0.0418(16) Uiso 1 1 d . . .
H41G H 0.1106 1.2203 0.0626 0.063 Uiso 1 1 calc . . .
H41H H 0.1856 1.2129 0.0734 0.063 Uiso 1 1 calc . . .
H41I H 0.1661 1.2327 0.1495 0.063 Uiso 1 1 calc . . .
C421 C 0.0000(3) 0.8854(4) 0.1591(3) 0.0229(13) Uiso 1 1 d . . .
H42A H -0.0030 0.8531 0.1076 0.028 Uiso 1 1 calc . . .
H42B H -0.0114 0.9621 0.1493 0.028 Uiso 1 1 calc . . .
C422 C -0.0508(3) 0.8303(4) 0.1873(3) 0.0258(14) Uiso 1 1 d . . .
H42C H -0.0428 0.7521 0.1919 0.031 Uiso 1 1 calc . . .
H42D H -0.0461 0.8579 0.2407 0.031 Uiso 1 1 calc . . .
C423 C -0.1205(3) 0.8520(6) 0.1276(4) 0.0461(18) Uiso 1 1 d . . .
H42E H -0.1258 0.8209 0.0750 0.055 Uiso 1 1 calc . . .
H42F H -0.1275 0.9303 0.1206 0.055 Uiso 1 1 calc . . .
C424 C -0.1726(4) 0.8029(6) 0.1572(5) 0.055(2) Uiso 1 1 d . . .
H42G H -0.1753 0.7255 0.1476 0.083 Uiso 1 1 calc . . .
H42H H -0.2150 0.8358 0.1280 0.083 Uiso 1 1 calc . . .
H42I H -0.1600 0.8166 0.2145 0.083 Uiso 1 1 calc . . .
C431 C 0.0913(3) 0.7586(4) 0.2416(3) 0.0208(13) Uiso 1 1 d . . .
H43A H 0.1385 0.7566 0.2738 0.025 Uiso 1 1 calc . . .
H43B H 0.0683 0.7326 0.2761 0.025 Uiso 1 1 calc . . .
C432 C 0.0772(3) 0.6806(4) 0.1709(3) 0.0256(13) Uiso 1 1 d . . .
H43C H 0.0298 0.6790 0.1396 0.031 Uiso 1 1 calc . . .
H43D H 0.0991 0.7064 0.1353 0.031 Uiso 1 1 calc . . .
C433 C 0.1010(3) 0.5669(5) 0.1999(4) 0.0369(16) Uiso 1 1 d . . .
H43E H 0.0803 0.5428 0.2373 0.044 Uiso 1 1 calc . . .
H43F H 0.1486 0.5687 0.2298 0.044 Uiso 1 1 calc . . .
C434 C 0.0855(4) 0.4850(6) 0.1306(5) 0.056(2) Uiso 1 1 d . . .
H43G H 0.0414 0.4975 0.0918 0.084 Uiso 1 1 calc . . .
H43H H 0.0885 0.4122 0.1520 0.084 Uiso 1 1 calc . . .
H43I H 0.1168 0.4935 0.1042 0.084 Uiso 1 1 calc . . .
C441 C 0.0775(3) 0.9414(4) 0.2957(3) 0.0218(13) Uiso 1 1 d . . .
H44A H 0.0595 1.0140 0.2791 0.026 Uiso 1 1 calc . . .
H44B H 0.0501 0.9062 0.3213 0.026 Uiso 1 1 calc . . .
C442 C 0.1468(3) 0.9535(4) 0.3590(3) 0.0243(13) Uiso 1 1 d . . .
H44C H 0.1742 0.9950 0.3366 0.029 Uiso 1 1 calc . . .
H44D H 0.1668 0.8820 0.3750 0.029 Uiso 1 1 calc . . .
C443 C 0.1425(3) 1.0123(5) 0.4328(3) 0.0308(14) Uiso 1 1 d . . .
H44E H 0.1219 1.0832 0.4159 0.037 Uiso 1 1 calc . . .
H44F H 0.1145 0.9705 0.4542 0.037 Uiso 1 1 calc . . .
C444 C 0.2103(3) 1.0279(5) 0.4997(4) 0.0391(16) Uiso 1 1 d . . .
H44G H 0.2304 0.9579 0.5174 0.059 Uiso 1 1 calc . . .
H44H H 0.2054 1.0656 0.5449 0.059 Uiso 1 1 calc . . .
H44I H 0.2379 1.0703 0.4790 0.059 Uiso 1 1 calc . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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'
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'
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
_geom_angle_publ_flag
N2 Cu2 C1 130.8(2) . . ?
N2 Cu2 I2 117.84(15) . . ?
C1 Cu2 I2 111.07(16) . . ?
C2 Cu1 N1 130.4(2) . . ?
C2 Cu1 I1 119.16(15) . . ?
N1 Cu1 I1 110.35(16) . . ?
C1 N1 Cu1 172.5(6) . . ?
N1 C1 Cu2 173.3(6) . . ?
N22 N2 C2 0.0(5) 4_575 4_575 ?
N22 N2 Cu2 174.0(5) 4_575 . ?
C2 N2 Cu2 174.0(5) 4_575 . ?
C22 C2 N2 0.0(3) 4_576 4_576 ?
C22 C2 Cu1 175.3(5) 4_576 . ?
N2 C2 Cu1 175.3(5) 4_576 . ?
C341 N3 C311 109.0(4) . . ?
C341 N3 C321 111.8(4) . . ?
C311 N3 C321 109.1(4) . . ?
C341 N3 C331 108.5(4) . . ?
C311 N3 C331 110.8(4) . . ?
C321 N3 C331 107.7(4) . . ?
C312 C311 N3 116.2(4) . . ?
C313 C312 C311 110.1(5) . . ?
C312 C313 C314 112.6(5) . . ?
N3 C321 C322 115.4(4) . . ?
C321 C322 C323 108.9(4) . . ?
C324 C323 C322 111.5(5) . . ?
N3 C331 C332 115.9(4) . . ?
C333 C332 C331 109.8(5) . . ?
C334 C333 C332 112.8(6) . . ?
N3 C341 C342 115.7(4) . . ?
C343 C342 C341 111.0(5) . . ?
C342 C343 C344 111.2(5) . . ?
C421 N4 C431 111.7(4) . . ?
C421 N4 C441 108.1(4) . . ?
C431 N4 C441 109.5(4) . . ?
C421 N4 C411 108.4(4) . . ?
C431 N4 C411 108.1(4) . . ?
C441 N4 C411 111.0(4) . . ?
C412 C411 N4 116.0(4) . . ?
C411 C412 C413 109.3(4) . . ?
C414 C413 C412 112.1(5) . . ?
N4 C421 C422 114.6(4) . . ?
C423 C422 C421 110.7(5) . . ?
C422 C423 C424 111.5(6) . . ?
C432 C431 N4 115.5(4) . . ?
C433 C432 C431 111.3(5) . . ?
C432 C433 C434 112.9(5) . . ?
C442 C441 N4 116.2(4) . . ?
C441 C442 C443 108.6(4) . . ?
C444 C443 C442 112.1(5) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
I2 Cu2 2.6226(9) . ?
I1 Cu1 2.6219(9) . ?
Cu2 N2 1.894(6) . ?
Cu2 C1 1.910(7) . ?
Cu1 C2 1.897(7) . ?
Cu1 N1 1.907(7) . ?
N1 C1 1.147(7) . ?
N2 N22 1.175(7) 4_575 ?
N2 C2 1.175(7) 4_575 ?
C2 C22 1.175(7) 4_576 ?
C2 N2 1.175(7) 4_576 ?
N3 C341 1.513(7) . ?
N3 C311 1.513(7) . ?
N3 C321 1.520(6) . ?
N3 C331 1.521(6) . ?
C311 C312 1.510(7) . ?
C312 C313 1.501(8) . ?
C313 C314 1.517(8) . ?
C321 C322 1.526(7) . ?
C322 C323 1.530(7) . ?
C323 C324 1.525(8) . ?
C331 C332 1.522(8) . ?
C332 C333 1.518(8) . ?
C333 C334 1.514(9) . ?
C341 C342 1.515(8) . ?
C342 C343 1.505(8) . ?
C343 C344 1.520(8) . ?
N4 C421 1.517(7) . ?
N4 C431 1.518(7) . ?
N4 C441 1.533(6) . ?
N4 C411 1.542(6) . ?
C411 C412 1.504(8) . ?
C412 C413 1.527(8) . ?
C413 C414 1.494(8) . ?
C421 C422 1.524(7) . ?
C422 C423 1.512(9) . ?
C423 C424 1.530(10) . ?
C431 C432 1.510(8) . ?
C432 C433 1.506(8) . ?
C433 C434 1.519(9) . ?
C441 C442 1.512(7) . ?
C442 C443 1.519(8) . ?
C443 C444 1.519(8) . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2 Cu1 N1 C1 -85(4) . . . . ?
I1 Cu1 N1 C1 92(4) . . . . ?
Cu1 N1 C1 Cu2 -13(8) . . . . ?
N2 Cu2 C1 N1 -62(5) . . . . ?
I2 Cu2 C1 N1 111(5) . . . . ?
C1 Cu2 N2 N22 58(5) . . . 4_575 ?
I2 Cu2 N2 N22 -115(5) . . . 4_575 ?
C1 Cu2 N2 C2 58(5) . . . 4_575 ?
I2 Cu2 N2 C2 -115(5) . . . 4_575 ?
N1 Cu1 C2 C22 -6(6) . . . 4_576 ?
I1 Cu1 C2 C22 177(100) . . . 4_576 ?
N1 Cu1 C2 N2 -6(6) . . . 4_576 ?
I1 Cu1 C2 N2 177(100) . . . 4_576 ?
C341 N3 C311 C312 65.8(5) . . . . ?
C321 N3 C311 C312 -171.9(4) . . . . ?
C331 N3 C311 C312 -53.4(6) . . . . ?
N3 C311 C312 C313 179.0(4) . . . . ?
C311 C312 C313 C314 -174.5(5) . . . . ?
C341 N3 C321 C322 54.0(6) . . . . ?
C311 N3 C321 C322 -66.6(5) . . . . ?
C331 N3 C321 C322 173.1(4) . . . . ?
N3 C321 C322 C323 175.6(4) . . . . ?
C321 C322 C323 C324 -176.3(5) . . . . ?
C341 N3 C331 C332 -173.5(4) . . . . ?
C311 N3 C331 C332 -53.9(5) . . . . ?
C321 N3 C331 C332 65.4(5) . . . . ?
N3 C331 C332 C333 -173.0(5) . . . . ?
C331 C332 C333 C334 178.0(5) . . . . ?
C311 N3 C341 C342 173.2(4) . . . . ?
C321 N3 C341 C342 52.6(6) . . . . ?
C331 N3 C341 C342 -66.0(5) . . . . ?
N3 C341 C342 C343 174.0(4) . . . . ?
C341 C342 C343 C344 178.5(5) . . . . ?
C421 N4 C411 C412 66.1(5) . . . . ?
C431 N4 C411 C412 -172.6(4) . . . . ?
C441 N4 C411 C412 -52.5(6) . . . . ?
N4 C411 C412 C413 -172.9(4) . . . . ?
C411 C412 C413 C414 -174.3(5) . . . . ?
C431 N4 C421 C422 54.5(5) . . . . ?
C441 N4 C421 C422 -66.0(5) . . . . ?
C411 N4 C421 C422 173.5(4) . . . . ?
N4 C421 C422 C423 174.9(5) . . . . ?
C421 C422 C423 C424 -176.8(5) . . . . ?
C421 N4 C431 C432 50.7(6) . . . . ?
C441 N4 C431 C432 170.4(4) . . . . ?
C411 N4 C431 C432 -68.5(5) . . . . ?
N4 C431 C432 C433 178.0(4) . . . . ?
C431 C432 C433 C434 178.0(5) . . . . ?
C421 N4 C441 C442 -173.3(4) . . . . ?
C431 N4 C441 C442 64.8(5) . . . . ?
C411 N4 C441 C442 -54.5(6) . . . . ?
N4 C441 C442 C443 -175.9(4) . . . . ?
C441 C442 C443 C444 -180.0(5) . . . . ?
