#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:21:52 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179057 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/19/4301990.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_4301990
loop_
_publ_author_name
'Jamie S. Ritch'
'Tristram Chivers'
_publ_section_title
;
Group 11 Complexes of the P,Te-Centered Ligand [TePiPr2NPiPr2]-:
Synthesis, Structures, and Insertion Reactions of the Copper(I) Complex
with Chalcogens
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3857
_journal_page_last               3865
_journal_paper_doi               10.1021/ic802428b
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C36 H84 Cu3 N3 P6 Te3'
_chemical_formula_sum            'C36 H84 Cu3 N3 P6 Te3'
_chemical_formula_weight         1318.30
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 110.06(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   40.314(8)
_cell_length_b                   11.660(2)
_cell_length_c                   24.565(5)
_cell_measurement_reflns_used    51922
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.00
_cell_volume                     10847(4)
_computing_cell_refinement       'Nonius DENZO'
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'Nonius DENZO'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'phiω scans'
_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  0.0335
_diffrn_reflns_av_sigmaI/netI    0.0455
_diffrn_reflns_limit_h_max       47
_diffrn_reflns_limit_h_min       -47
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            51922
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         3.07
_exptl_absorpt_coefficient_mu    2.951
_exptl_absorpt_correction_T_max  0.7184
_exptl_absorpt_correction_T_min  0.5899
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'HKL Scalepack (Otwinowski & Minor 1997)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.615
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5232
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.194
_refine_diff_density_min         -1.100
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         9557
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0672
_refine_ls_R_factor_gt           0.0407
_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)+(0.0374P)²+45.5363P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0889
_refine_ls_wR_factor_ref         0.1011
_reflns_number_gt                6954
_reflns_number_total             9557
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic802428b_si_001_1.cif
_cod_data_source_block           compound6
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 
;
_cod_original_cell_volume        10846(4)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4301990
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Te3 Te 0.072281(10) 0.90155(4) 0.51502(2) 0.05992(14) Uani 1 1 d . A .
Cu1 Cu 0.127049(18) 0.94295(6) 0.48732(3) 0.05265(19) Uani 1 1 d . A .
P1 P 0.14747(4) 1.10871(15) 0.46126(8) 0.0592(4) Uani 1 1 d . . .
C1 C 0.1042(2) 1.2593(9) 0.4936(6) 0.136(5) Uani 1 1 d . . .
H1A H 0.1024 1.3273 0.5159 0.205 Uiso 1 1 calc R . .
H1B H 0.0940 1.1931 0.5068 0.205 Uiso 1 1 calc R . .
H1C H 0.0912 1.2727 0.4523 0.205 Uiso 1 1 calc R . .
C2 C 0.14251(18) 1.2356(6) 0.5024(4) 0.076(2) Uani 1 1 d . . .
H2A H 0.1525 1.3036 0.4885 0.092 Uiso 1 1 calc R . .
C3 C 0.1626(3) 1.2192(10) 0.5657(4) 0.122(4) Uani 1 1 d . . .
H3A H 0.1628 1.2912 0.5864 0.183 Uiso 1 1 calc R . .
H3B H 0.1869 1.1965 0.5710 0.183 Uiso 1 1 calc R . .
H3C H 0.1512 1.1591 0.5810 0.183 Uiso 1 1 calc R . .
C4 C 0.1222(4) 1.0598(12) 0.3442(4) 0.164(6) Uani 1 1 d . . .
H4A H 0.1045 1.0815 0.3070 0.246 Uiso 1 1 calc R . .
H4B H 0.1139 0.9926 0.3597 0.246 Uiso 1 1 calc R . .
H4C H 0.1445 1.0415 0.3386 0.246 Uiso 1 1 calc R . .
C5 C 0.1277(3) 1.1570(8) 0.3857(4) 0.097(3) Uani 1 1 d . . .
H5A H 0.1039 1.1889 0.3812 0.117 Uiso 1 1 calc R . .
C6 C 0.1489(3) 1.2535(11) 0.3710(5) 0.156(5) Uani 1 1 d . . .
H6A H 0.1396 1.2684 0.3292 0.234 Uiso 1 1 calc R . .
H6B H 0.1738 1.2307 0.3824 0.234 Uiso 1 1 calc R . .
H6C H 0.1470 1.3232 0.3920 0.234 Uiso 1 1 calc R . .
N1 N 0.18979(13) 1.0998(4) 0.4726(3) 0.0654(15) Uani 1 1 d . . .
P2 P 0.21345(4) 0.98927(15) 0.49516(8) 0.0555(4) Uani 1 1 d D . .
C7 C 0.2715(2) 0.9145(8) 0.5880(4) 0.132(4) Uani 0.75 1 d PD A 1
H7A H 0.2867 0.9297 0.6280 0.199 Uiso 0.75 1 calc PR A 1
H7B H 0.2858 0.9122 0.5629 0.199 Uiso 0.75 1 calc PR A 1
H7C H 0.2596 0.8406 0.5861 0.199 Uiso 0.75 1 calc PR A 1
C8 C 0.24459(18) 1.0074(6) 0.5680(4) 0.093(3) Uani 0.75 1 d PD A 1
H8A H 0.2298 0.9986 0.5932 0.111 Uiso 0.75 1 calc PR A 1
C9 C 0.2601(4) 1.1227(10) 0.5821(7) 0.142(6) Uiso 0.75 1 d PD A 1
H9A H 0.2764 1.1239 0.6222 0.213 Uiso 0.75 1 calc PR A 1
H9B H 0.2412 1.1789 0.5775 0.213 Uiso 0.75 1 calc PR A 1
H9C H 0.2729 1.1421 0.5558 0.213 Uiso 0.75 1 calc PR A 1
C7A C 0.2715(2) 0.9145(8) 0.5880(4) 0.132(4) Uani 0.25 1 d PD A 2
H7D H 0.2822 0.9169 0.6303 0.199 Uiso 0.25 1 calc PR A 2
H7E H 0.2898 0.9257 0.5707 0.199 Uiso 0.25 1 calc PR A 2
H7F H 0.2601 0.8399 0.5760 0.199 Uiso 0.25 1 calc PR A 2
C8A C 0.24459(18) 1.0074(6) 0.5680(4) 0.093(3) Uani 0.25 1 d PD A 2
H8B H 0.2591 1.0736 0.5633 0.111 Uiso 0.25 1 calc PR A 2
C9A C 0.2313(7) 1.049(3) 0.6125(7) 0.132(15) Uiso 0.25 1 d PD A 2
H9D H 0.2509 1.0554 0.6494 0.199 Uiso 0.25 1 calc PR A 2
H9E H 0.2137 0.9950 0.6168 0.199 Uiso 0.25 1 calc PR A 2
H9F H 0.2204 1.1243 0.6013 0.199 Uiso 0.25 1 calc PR A 2
C10 C 0.2640(3) 1.0490(10) 0.4452(6) 0.161(6) Uani 1 1 d . . .
H10A H 0.2754 1.0291 0.4172 0.241 Uiso 1 1 calc R A .
H10B H 0.2819 1.0577 0.4837 0.241 Uiso 1 1 calc R . .
H10C H 0.2510 1.1212 0.4337 0.241 Uiso 1 1 calc R . .
C11 C 0.2385(2) 0.9547(7) 0.4468(4) 0.087(3) Uani 1 1 d . A .
H11A H 0.2528 0.8844 0.4626 0.105 Uiso 1 1 calc R . .
C12 C 0.2141(3) 0.9268(9) 0.3864(4) 0.123(4) Uani 1 1 d . . .
H12A H 0.2278 0.8946 0.3639 0.184 Uiso 1 1 calc R A .
H12B H 0.2022 0.9969 0.3675 0.184 Uiso 1 1 calc R . .
H12C H 0.1965 0.8707 0.3884 0.184 Uiso 1 1 calc R . .
Te1 Te 0.180019(10) 0.81097(3) 0.496475(17) 0.04945(12) Uani 1 1 d . A .
Cu2 Cu 0.160708(19) 0.79746(7) 0.58351(3) 0.05349(19) Uani 1 1 d . . .
P3 P 0.17190(4) 0.82486(15) 0.67853(7) 0.0539(4) Uani 1 1 d . A .
C13 C 0.2358(2) 0.7213(10) 0.6964(4) 0.112(3) Uani 1 1 d . A .
H13A H 0.2616 0.7285 0.7121 0.168 Uiso 1 1 calc R . .
H13B H 0.2279 0.7247 0.6540 0.168 Uiso 1 1 calc R . .
H13C H 0.2288 0.6479 0.7085 0.168 Uiso 1 1 calc R . .
C14 C 0.21974(18) 0.8157(8) 0.7183(3) 0.080(2) Uani 1 1 d . . .
H14A H 0.2303 0.8882 0.7099 0.096 Uiso 1 1 calc R A .
C15 C 0.2296(2) 0.8092(9) 0.7838(3) 0.097(3) Uani 1 1 d . A .
H15A H 0.2553 0.8007 0.8018 0.146 Uiso 1 1 calc R . .
H15B H 0.2179 0.7431 0.7939 0.146 Uiso 1 1 calc R . .
H15C H 0.2221 0.8796 0.7980 0.146 Uiso 1 1 calc R . .
C16 C 0.1222(3) 0.9795(9) 0.6819(4) 0.128(4) Uani 1 1 d . A .
H16A H 0.1162 1.0493 0.6987 0.192 Uiso 1 1 calc R . .
H16B H 0.1087 0.9147 0.6889 0.192 Uiso 1 1 calc R . .
H16C H 0.1164 0.9900 0.6401 0.192 Uiso 1 1 calc R . .
C17 C 0.1608(2) 0.9557(6) 0.7094(3) 0.078(2) Uani 1 1 d . . .
H17A H 0.1657 0.9415 0.7516 0.093 Uiso 1 1 calc R A .
C18 C 0.1837(3) 1.0575(8) 0.7043(5) 0.142(4) Uani 1 1 d . A .
H18A H 0.1777 1.1251 0.7226 0.213 Uiso 1 1 calc R . .
H18B H 0.1794 1.0737 0.6633 0.213 Uiso 1 1 calc R . .
H18C H 0.2087 1.0385 0.7236 0.213 Uiso 1 1 calc R . .
N2 N 0.15358(13) 0.7223(5) 0.7044(2) 0.0564(13) Uani 1 1 d . . .
P4 P 0.12970(4) 0.62288(16) 0.66676(7) 0.0564(4) Uani 1 1 d . A .
C19 C 0.0744(2) 0.6748(11) 0.7064(4) 0.128(4) Uani 1 1 d . A .
H19A H 0.0502 0.7029 0.6969 0.193 Uiso 1 1 calc R . .
H19B H 0.0908 0.7299 0.7320 0.193 Uiso 1 1 calc R . .
H19C H 0.0768 0.6005 0.7261 0.193 Uiso 1 1 calc R . .
C20 C 0.08298(18) 0.6607(8) 0.6504(3) 0.077(2) Uani 1 1 d . . .
H20A H 0.0802 0.7389 0.6327 0.093 Uiso 1 1 calc R A .
C21 C 0.0550(2) 0.5862(9) 0.6066(4) 0.117(4) Uani 1 1 d . A .
H21A H 0.0329 0.6295 0.5909 0.175 Uiso 1 1 calc R . .
H21B H 0.0509 0.5168 0.6259 0.175 Uiso 1 1 calc R . .
H21C H 0.0633 0.5646 0.5749 0.175 Uiso 1 1 calc R . .
C22 C 0.1784(3) 0.4662(9) 0.7305(4) 0.126(4) Uani 1 1 d . A .
H22A H 0.1832 0.3948 0.7529 0.188 Uiso 1 1 calc R . .
H22B H 0.1917 0.5291 0.7547 0.188 Uiso 1 1 calc R . .
H22C H 0.1857 0.4575 0.6965 0.188 Uiso 1 1 calc R . .
C23 C 0.1391(2) 0.4928(7) 0.7109(3) 0.088(2) Uani 1 1 d . . .
H23A H 0.1332 0.5091 0.7465 0.105 Uiso 1 1 calc R A .
C24 C 0.1181(3) 0.3873(8) 0.6822(4) 0.108(3) Uani 1 1 d . A .
H24A H 0.1260 0.3208 0.7078 0.162 Uiso 1 1 calc R . .
H24B H 0.1217 0.3725 0.6454 0.162 Uiso 1 1 calc R . .
H24C H 0.0929 0.4007 0.6749 0.162 Uiso 1 1 calc R . .
Te2 Te 0.139752(11) 0.58097(3) 0.575278(17) 0.05256(12) Uani 1 1 d . A .
Cu3 Cu 0.104929(17) 0.72419(7) 0.49745(3) 0.04989(19) Uani 1 1 d . A .
P5 P 0.07299(4) 0.68387(15) 0.40419(7) 0.0514(4) Uani 1 1 d . . .
C25 C 0.0421(2) 0.4943(8) 0.4366(4) 0.090(2) Uani 1 1 d . . .
H25A H 0.0340 0.4148 0.4288 0.135 Uiso 1 1 calc R A .
H25B H 0.0225 0.5433 0.4368 0.135 Uiso 1 1 calc R . .
H25C H 0.0611 0.4985 0.4744 0.135 Uiso 1 1 calc R . .
C26 C 0.0559(2) 0.5344(7) 0.3902(3) 0.080(2) Uani 1 1 d . A .
H26A H 0.0762 0.4838 0.3917 0.096 Uiso 1 1 calc R . .
C27 C 0.0273(3) 0.5191(10) 0.3298(4) 0.149(5) Uani 1 1 d . . .
H27A H 0.0169 0.4424 0.3270 0.224 Uiso 1 1 calc R A .
H27B H 0.0380 0.5282 0.2998 0.224 Uiso 1 1 calc R . .
H27C H 0.0088 0.5771 0.3244 0.224 Uiso 1 1 calc R . .
C28 C 0.12563(19) 0.6173(7) 0.3606(3) 0.085(2) Uani 1 1 d . . .
H28A H 0.1416 0.6419 0.3403 0.127 Uiso 1 1 calc R A .
H28B H 0.1147 0.5441 0.3444 0.127 Uiso 1 1 calc R . .
H28C H 0.1391 0.6078 0.4019 0.127 Uiso 1 1 calc R . .
C29 C 0.09670(18) 0.7086(7) 0.3527(3) 0.074(2) Uani 1 1 d . A .
H29A H 0.1100 0.7816 0.3662 0.089 Uiso 1 1 calc R . .
C30 C 0.0752(3) 0.7306(11) 0.2909(4) 0.132(4) Uani 1 1 d . . .
H30A H 0.0893 0.7740 0.2724 0.197 Uiso 1 1 calc R A .
H30B H 0.0541 0.7750 0.2889 0.197 Uiso 1 1 calc R . .
H30C H 0.0680 0.6574 0.2707 0.197 Uiso 1 1 calc R . .
N3 N 0.03808(13) 0.7669(5) 0.3823(2) 0.0678(16) Uani 1 1 d . A .
P6 P 0.02902(4) 0.87000(17) 0.41619(8) 0.0625(5) Uani 1 1 d D . .
C31 C -0.0132(2) 0.7440(8) 0.4631(4) 0.099(3) Uani 1 1 d . . .
H31A H -0.0350 0.7410 0.4720 0.149 Uiso 1 1 calc R A .
H31B H 0.0071 0.7499 0.4992 0.149 Uiso 1 1 calc R . .
H31C H -0.0110 0.6741 0.4424 0.149 Uiso 1 1 calc R . .
C32 C -0.01395(16) 0.8474(7) 0.4254(3) 0.075(2) Uani 1 1 d . A .
H32A H -0.0187 0.9162 0.4459 0.090 Uiso 1 1 calc R . .
C33 C -0.0438(2) 0.8388(11) 0.3671(4) 0.138(4) Uani 1 1 d . . .
H33A H -0.0663 0.8291 0.3735 0.208 Uiso 1 1 calc R A .
H33B H -0.0397 0.7727 0.3456 0.208 Uiso 1 1 calc R . .
H33C H -0.0445 0.9090 0.3448 0.208 Uiso 1 1 calc R . .
C34 C 0.0142(4) 1.0042(12) 0.3153(5) 0.110(5) Uiso 0.65 1 d PD A 1
H34A H 0.0140 1.0826 0.3010 0.165 Uiso 0.65 1 calc PR A 1
H34B H -0.0097 0.9722 0.3002 0.165 Uiso 0.65 1 calc PR A 1
H34C H 0.0302 0.9569 0.3025 0.165 Uiso 0.65 1 calc PR A 1
C35 C 0.0263(2) 1.0054(8) 0.3793(4) 0.115(3) Uani 0.65 1 d PD A 1
H35A H 0.0518 1.0257 0.3894 0.138 Uiso 0.65 1 calc PR A 1
C36 C 0.0129(3) 1.1044(8) 0.4040(5) 0.125(4) Uani 0.65 1 d PD A 1
H36A H 0.0132 1.1737 0.3817 0.187 Uiso 0.65 1 calc PR A 1
H36B H 0.0279 1.1158 0.4445 0.187 Uiso 0.65 1 calc PR A 1
H36C H -0.0114 1.0887 0.4021 0.187 Uiso 0.65 1 calc PR A 1
C34A C 0.0483(6) 1.0296(16) 0.3450(10) 0.112(9) Uiso 0.35 1 d PD A 2
H34D H 0.0432 1.1071 0.3288 0.168 Uiso 0.35 1 calc PR A 2
H34E H 0.0433 0.9737 0.3134 0.168 Uiso 0.35 1 calc PR A 2
H34F H 0.0732 1.0243 0.3695 0.168 Uiso 0.35 1 calc PR A 2
C35A C 0.0263(2) 1.0054(8) 0.3793(4) 0.115(3) Uani 0.35 1 d PD A 2
H35B H 0.0040 0.9893 0.3463 0.138 Uiso 0.35 1 calc PR A 2
C36A C 0.0129(3) 1.1044(8) 0.4040(5) 0.125(4) Uani 0.35 1 d PD A 2
H36D H 0.0176 1.1759 0.3870 0.187 Uiso 0.35 1 calc PR A 2
H36E H 0.0248 1.1065 0.4461 0.187 Uiso 0.35 1 calc PR A 2
H36F H -0.0126 1.0959 0.3952 0.187 Uiso 0.35 1 calc PR A 2
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'
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'
Te Te -0.5308 1.6751 '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
P6 Te3 Cu3 86.84(5) . . ?
P6 Te3 Cu1 98.51(5) . . ?
Cu3 Te3 Cu1 64.53(3) . . ?
P1 Cu1 Te3 131.33(5) . . ?
P1 Cu1 Te1 99.36(5) . . ?
Te3 Cu1 Te1 128.75(4) . . ?
P1 Cu1 Cu3 167.30(6) . . ?
Te3 Cu1 Cu3 57.68(2) . . ?
Te1 Cu1 Cu3 73.88(3) . . ?
P1 Cu1 Cu2 128.60(6) . . ?
Te3 Cu1 Cu2 82.90(3) . . ?
Te1 Cu1 Cu2 55.06(3) . . ?
Cu3 Cu1 Cu2 56.46(3) . . ?
N1 P1 C5 104.9(4) . . ?
N1 P1 C2 105.1(3) . . ?
C5 P1 C2 102.5(4) . . ?
N1 P1 Cu1 110.79(19) . . ?
C5 P1 Cu1 118.1(3) . . ?
C2 P1 Cu1 114.2(3) . . ?
C3 C2 C1 109.5(8) . . ?
C3 C2 P1 110.2(6) . . ?
C1 C2 P1 111.5(6) . . ?
C4 C5 C6 111.2(10) . . ?
C4 C5 P1 111.7(7) . . ?
C6 C5 P1 112.3(7) . . ?
P2 N1 P1 125.3(3) . . ?
N1 P2 C8 112.3(3) . . ?
N1 P2 C11 110.4(3) . . ?
C8 P2 C11 108.3(4) . . ?
N1 P2 Te1 114.9(2) . . ?
C8 P2 Te1 106.2(3) . . ?
C11 P2 Te1 104.2(3) . . ?
C9 C8 C7 112.6(8) . . ?
C9 C8 P2 115.6(8) . . ?
C7 C8 P2 114.8(6) . . ?
C12 C11 C10 110.5(9) . . ?
C12 C11 P2 111.3(6) . . ?
C10 C11 P2 112.5(7) . . ?
P2 Te1 Cu2 112.98(5) . . ?
P2 Te1 Cu1 86.34(4) . . ?
Cu2 Te1 Cu1 67.88(3) . . ?
P3 Cu2 Te1 149.77(6) . . ?
P3 Cu2 Cu3 133.64(6) . . ?
Te1 Cu2 Cu3 76.54(3) . . ?
P3 Cu2 Te2 99.22(5) . . ?
Te1 Cu2 Te2 100.27(3) . . ?
Cu3 Cu2 Te2 57.95(2) . . ?
P3 Cu2 Cu1 130.34(6) . . ?
Te1 Cu2 Cu1 57.06(2) . . ?
Cu3 Cu2 Cu1 59.76(3) . . ?
Te2 Cu2 Cu1 117.13(3) . . ?
N2 P3 C17 104.0(3) . . ?
N2 P3 C14 106.3(3) . . ?
C17 P3 C14 100.9(4) . . ?
N2 P3 Cu2 110.01(18) . . ?
C17 P3 Cu2 124.1(3) . . ?
C14 P3 Cu2 110.1(2) . . ?
C13 C14 C15 111.2(7) . . ?
C13 C14 P3 111.3(5) . . ?
C15 C14 P3 114.2(5) . . ?
C16 C17 C18 112.5(8) . . ?
C16 C17 P3 109.4(5) . . ?
C18 C17 P3 111.9(7) . . ?
P4 N2 P3 124.7(3) . . ?
N2 P4 C23 107.4(3) . . ?
N2 P4 C20 108.8(3) . . ?
C23 P4 C20 108.5(4) . . ?
N2 P4 Te2 114.81(19) . . ?
C23 P4 Te2 108.1(3) . . ?
C20 P4 Te2 108.9(2) . . ?
C21 C20 C19 110.6(7) . . ?
C21 C20 P4 117.9(6) . . ?
C19 C20 P4 111.0(6) . . ?
C22 C23 C24 109.6(8) . . ?
C22 C23 P4 109.8(6) . . ?
C24 C23 P4 115.2(6) . . ?
P4 Te2 Cu3 109.36(5) . . ?
P4 Te2 Cu2 83.65(5) . . ?
Cu3 Te2 Cu2 60.97(3) . . ?
P5 Cu3 Te2 126.62(6) . . ?
P5 Cu3 Te3 101.04(5) . . ?
Te2 Cu3 Te3 125.50(3) . . ?
P5 Cu3 Cu2 155.57(6) . . ?
Te2 Cu3 Cu2 61.08(3) . . ?
Te3 Cu3 Cu2 87.12(3) . . ?
P5 Cu3 Cu1 101.04(6) . . ?
Te2 Cu3 Cu1 124.18(3) . . ?
Te3 Cu3 Cu1 57.80(3) . . ?
Cu2 Cu3 Cu1 63.78(3) . . ?
N3 P5 C29 105.7(3) . . ?
N3 P5 C26 105.7(3) . . ?
C29 P5 C26 105.3(4) . . ?
N3 P5 Cu3 109.6(2) . . ?
C29 P5 Cu3 114.3(2) . . ?
C26 P5 Cu3 115.4(3) . . ?
C25 C26 C27 110.0(7) . . ?
C25 C26 P5 111.1(5) . . ?
C27 C26 P5 113.1(7) . . ?
C30 C29 C28 113.4(6) . . ?
C30 C29 P5 117.8(6) . . ?
C28 C29 P5 110.7(5) . . ?
P6 N3 P5 127.3(3) . . ?
N3 P6 C35 112.8(3) . . ?
N3 P6 C32 110.8(3) . . ?
C35 P6 C32 106.9(4) . . ?
N3 P6 Te3 114.66(19) . . ?
C35 P6 Te3 105.2(3) . . ?
C32 P6 Te3 106.0(2) . . ?
C31 C32 C33 111.5(8) . . ?
C31 C32 P6 111.5(5) . . ?
C33 C32 P6 111.4(6) . . ?
C34 C35 C36 114.0(9) . . ?
C34 C35 P6 117.8(8) . . ?
C36 C35 P6 116.1(6) . . ?
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
Te3 P6 2.483(2) . ?
Te3 Cu3 2.5660(9) . ?
Te3 Cu1 2.5694(9) . ?
Cu1 P1 2.277(2) . ?
Cu1 Te1 2.5786(9) . ?
Cu1 Cu3 2.7414(12) . ?
Cu1 Cu2 2.8466(13) . ?
P1 N1 1.635(5) . ?
P1 C5 1.838(8) . ?
P1 C2 1.841(7) . ?
C1 C2 1.511(10) . ?
C2 C3 1.498(12) . ?
C4 C5 1.489(14) . ?
C5 C6 1.530(14) . ?
N1 P2 1.586(5) . ?
P2 C8 1.812(8) . ?
P2 C11 1.849(7) . ?
P2 Te1 2.4837(18) . ?
C7 C8 1.491(7) . ?
C8 C9 1.473(9) . ?
C10 C11 1.513(12) . ?
C11 C12 1.510(13) . ?
Te1 Cu2 2.5187(10) . ?
Cu2 P3 2.2432(18) . ?
Cu2 Cu3 2.6446(13) . ?
Cu2 Te2 2.6474(10) . ?
P3 N2 1.643(5) . ?
P3 C17 1.826(7) . ?
P3 C14 1.842(7) . ?
C13 C14 1.469(12) . ?
C14 C15 1.523(10) . ?
C16 C17 1.495(11) . ?
C17 C18 1.535(12) . ?
N2 P4 1.586(5) . ?
P4 C23 1.828(8) . ?
P4 C20 1.840(7) . ?
P4 Te2 2.4652(18) . ?
C19 C20 1.539(10) . ?
C20 C21 1.534(11) . ?
C22 C23 1.521(12) . ?
C23 C24 1.523(11) . ?
Te2 Cu3 2.5637(10) . ?
Cu3 P5 2.2592(18) . ?
P5 N3 1.639(5) . ?
P5 C29 1.851(7) . ?
P5 C26 1.861(8) . ?
C25 C26 1.504(11) . ?
C26 C27 1.546(11) . ?
C28 C29 1.542(9) . ?
C29 C30 1.490(10) . ?
N3 P6 1.574(6) . ?
P6 C35 1.805(9) . ?
P6 C32 1.842(7) . ?
C31 C32 1.513(11) . ?
C32 C33 1.526(11) . ?
C34 C35 1.477(8) . ?
C35 C36 1.491(8) . ?
