#------------------------------------------------------------------------------
#$Date: 2019-11-08 00:39:07 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224304 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/83/7048351.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_7048351
loop_
_publ_author_name
'Artem'ev, Alexander V.'
'Pritchina, Elena A.'
'Rakhmanova, Marianna I.'
'Gritsan, Nina P.'
'Bagryanskaya, Irina Yu'
'Malysheva, Svetlana F.'
'Belogorlova, Nataliya A.'
_publ_section_title
;
 Alkyl-dependent self-assembly of the first red-emitting zwitterionic
 {Cu₄I₆} clusters from
 [alkyl-P(2-Py)₃]⁺ salts and CuI: when size matters.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2328
_journal_page_last               2337
_journal_paper_doi               10.1039/c8dt04328k
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C38 H42 Cu4 I6 N6 P2'
_chemical_formula_weight         1660.27
_chemical_name_systematic
;
 complex of copper(I) iodide with butyltri(pyridin-2-yl)phosphonium iodide
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-10-13 deposited with the CCDC.
2018-12-11 downloaded from the CCDC.
;
_cell_angle_alpha                118.729(5)
_cell_angle_beta                 93.281(6)
_cell_angle_gamma                107.283(6)
_cell_formula_units_Z            1
_cell_length_a                   10.2369(13)
_cell_length_b                   11.9900(14)
_cell_length_c                   12.2061(15)
_cell_measurement_reflns_used    9948
_cell_measurement_temperature    299(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.37
_cell_volume                     1218.1(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      299(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0707
_diffrn_reflns_av_unetI/netI     0.0407
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            33936
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         2.687
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    5.623
_exptl_absorpt_correction_T_max  0.8621
_exptl_absorpt_correction_T_min  0.4548
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.263
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             776
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.150
_refine_diff_density_max         2.573
_refine_diff_density_min         -2.359
_refine_diff_density_rms         0.308
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     283
_refine_ls_number_reflns         5576
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0760
_refine_ls_R_factor_gt           0.0639
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0997P)²+10.0040P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1602
_refine_ls_wR_factor_ref         0.1792
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4607
_reflns_number_total             5576
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt04328k2.cif
_cod_data_source_block           complex_3_cuibu
_cod_depositor_comments
'Adding full bibliography for 7048350--7048353.cif.'
_cod_database_code               7048351
_shelx_shelxl_version_number     2014/7
_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   0.244
_shelx_estimated_absorpt_t_max   0.486
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 1.58357(14) 0.53939(15) 0.39906(13) 0.0604(3) Uani 1 1 d . . . . .
Cu2 Cu 1.79020(10) 0.63893(11) 0.28155(10) 0.0432(3) Uani 1 1 d . . . . .
I1 I 1.30855(5) 0.40482(6) 0.36925(6) 0.04494(18) Uani 1 1 d . . . . .
I2 I 1.68674(6) 0.37982(6) 0.21437(6) 0.04787(18) Uani 1 1 d . . . . .
I3 I 1.62594(5) 0.76632(6) 0.37822(6) 0.04566(18) Uani 1 1 d . . . . .
P1 P 2.08103(18) 0.83596(19) 0.25727(18) 0.0314(4) Uani 1 1 d . . . . .
N1 N 1.8381(7) 0.6280(7) 0.1129(6) 0.0397(14) Uani 1 1 d . . . . .
N2 N 2.3094(8) 0.8203(8) 0.1769(8) 0.0501(17) Uani 1 1 d . . . . .
N3 N 1.9948(6) 0.7148(7) 0.3903(6) 0.0354(13) Uani 1 1 d . . . . .
C1 C 1.7413(9) 0.5339(9) 0.0013(8) 0.050(2) Uani 1 1 d . . . . .
H1 H 1.6512 0.4899 0.0045 0.059 Uiso 1 1 calc R U . . .
C2 C 1.7696(10) 0.5000(10) -0.1171(9) 0.052(2) Uani 1 1 d . . . . .
H14 H 1.6994 0.4350 -0.1919 0.063 Uiso 1 1 calc R U . . .
C3 C 1.9028(11) 0.5632(9) -0.1240(8) 0.049(2) Uani 1 1 d . . . . .
H2 H 1.9243 0.5401 -0.2033 0.059 Uiso 1 1 calc R U . . .
C4 C 2.0039(9) 0.6614(9) -0.0110(8) 0.0452(18) Uani 1 1 d . . . . .
H3 H 2.0946 0.7059 -0.0126 0.054 Uiso 1 1 calc R U . . .
C5 C 1.9667(7) 0.6920(7) 0.1053(7) 0.0355(14) Uani 1 1 d . . . . .
C6 C 2.2463(7) 0.9085(8) 0.2286(8) 0.0399(17) Uani 1 1 d . . . . .
C7 C 2.4321(11) 0.8665(12) 0.1495(11) 0.062(3) Uani 1 1 d . . . . .
H4 H 2.4808 0.8086 0.1129 0.075 Uiso 1 1 calc R U . . .
C8 C 2.4882(11) 1.0028(12) 0.1761(11) 0.067(3) Uani 1 1 d . . . . .
H5 H 2.5718 1.0315 0.1539 0.080 Uiso 1 1 calc R U . . .
C9 C 2.4246(11) 1.0902(12) 0.2315(12) 0.068(3) Uani 1 1 d . . . . .
H7 H 2.4638 1.1801 0.2509 0.081 Uiso 1 1 calc R U . . .
C10 C 2.2972(8) 1.0431(9) 0.2597(9) 0.0473(19) Uani 1 1 d . . . . .
H6 H 2.2482 1.1003 0.2982 0.057 Uiso 1 1 calc R U . . .
C11 C 2.1120(7) 0.7799(7) 0.3663(7) 0.0307(13) Uani 1 1 d . . . . .
C12 C 2.0126(9) 0.6723(10) 0.4707(8) 0.0455(18) Uani 1 1 d . . . . .
H11 H 1.9339 0.6307 0.4913 0.055 Uiso 1 1 calc R U . . .
C13 C 2.1457(11) 0.6878(10) 0.5254(9) 0.052(2) Uani 1 1 d . . . . .
H8 H 2.1540 0.6524 0.5774 0.062 Uiso 1 1 calc R U . . .
C14 C 2.2615(10) 0.7545(12) 0.5024(10) 0.059(3) Uani 1 1 d . . . . .
H10 H 2.3506 0.7694 0.5417 0.071 Uiso 1 1 calc R U . . .
C15 C 2.2468(8) 0.8007(9) 0.4196(8) 0.0443(18) Uani 1 1 d . . . . .
H9 H 2.3252 0.8445 0.4002 0.053 Uiso 1 1 calc R U . . .
C16 C 1.9970(9) 0.9579(9) 0.3234(9) 0.0491(19) Uani 1 1 d D . . . .
H12 H 1.9096 0.9179 0.3408 0.059 Uiso 1 1 calc R U . A 1
H13 H 2.0578 1.0381 0.4037 0.059 Uiso 1 1 calc R U . A 1
C17 C 1.966(2) 1.000(2) 0.2254(19) 0.067(6) Uani 0.54(2) 1 d D . P B 1
H17A H 1.9870 1.0976 0.2717 0.081 Uiso 0.54(2) 1 calc R U P B 1
H17B H 2.0291 0.9814 0.1678 0.081 Uiso 0.54(2) 1 calc R U P B 1
C18 C 1.814(2) 0.924(3) 0.145(3) 0.094(10) Uani 0.54(2) 1 d D . P B 1
H18A H 1.7915 0.8262 0.0971 0.113 Uiso 0.54(2) 1 calc R U P B 1
H18B H 1.7493 0.9433 0.2011 0.113 Uiso 0.54(2) 1 calc R U P B 1
C19 C 1.799(4) 0.975(6) 0.053(4) 0.126(18) Uani 0.54(2) 1 d D . P B 1
H19A H 1.7978 1.0656 0.1000 0.151 Uiso 0.54(2) 1 calc R U P B 1
H19B H 1.7130 0.9145 -0.0123 0.151 Uiso 0.54(2) 1 calc R U P B 1
H19C H 1.8775 0.9764 0.0133 0.151 Uiso 0.54(2) 1 calc R U P B 1
C17' C 1.8863(18) 0.967(2) 0.2417(18) 0.051(6) Uani 0.46(2) 1 d D . P B 2
H17' H 1.8156 0.8771 0.1828 0.062 Uiso 0.46(2) 1 calc R U P B 2
H17" H 1.8399 1.0251 0.2968 0.062 Uiso 0.46(2) 1 calc R U P B 2
C18' C 1.959(2) 1.028(3) 0.166(3) 0.068(7) Uani 0.46(2) 1 d D . P B 2
H18' H 1.9971 0.9650 0.1052 0.081 Uiso 0.46(2) 1 calc R U P B 2
H18" H 2.0381 1.1128 0.2252 0.081 Uiso 0.46(2) 1 calc R U P B 2
C19' C 1.861(3) 1.058(4) 0.093(4) 0.102(16) Uani 0.46(2) 1 d D . P B 2
H19D H 1.7798 0.9763 0.0380 0.122 Uiso 0.46(2) 1 calc R U P B 2
H19E H 1.9101 1.0880 0.0411 0.122 Uiso 0.46(2) 1 calc R U P B 2
H19F H 1.8319 1.1285 0.1529 0.122 Uiso 0.46(2) 1 calc R U P B 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'
I I -0.4742 1.8119 '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
I1 Cu1 I2 112.94(5) 2_866
I1 Cu1 I1 100.78(5) 2_866
I2 Cu1 I1 110.94(5) .
I1 Cu1 I3 114.74(5) 2_866
I2 Cu1 I3 105.63(5) .
I1 Cu1 I3 111.96(5) .
I1 Cu1 Cu2 114.06(5) 2_866
I2 Cu1 Cu2 56.10(4) .
I1 Cu1 Cu2 145.16(6) .
I3 Cu1 Cu2 53.70(3) .
N3 Cu2 N1 99.0(2) .
N3 Cu2 I3 118.63(18) .
N1 Cu2 I3 116.4(2) .
N3 Cu2 I2 104.68(18) .
N1 Cu2 I2 102.98(19) .
I3 Cu2 I2 113.06(4) .
N3 Cu2 Cu1 110.99(17) .
N1 Cu2 Cu1 147.26(18) .
I3 Cu2 Cu1 60.28(4) .
I2 Cu2 Cu1 57.60(4) .
Cu1 I1 Cu1 79.22(5) 2_866
Cu2 I2 Cu1 66.30(4) .
Cu2 I3 Cu1 66.02(4) .
C6 P1 C16 111.2(4) .
C6 P1 C5 108.3(4) .
C16 P1 C5 108.1(4) .
C6 P1 C11 108.9(3) .
C16 P1 C11 110.1(4) .
C5 P1 C11 110.2(3) .
C5 N1 C1 117.1(7) .
C5 N1 Cu2 124.3(5) .
C1 N1 Cu2 117.7(6) .
C6 N2 C7 116.1(8) .
C12 N3 C11 117.4(6) .
C12 N3 Cu2 116.8(5) .
C11 N3 Cu2 124.4(5) .
N1 C1 C2 123.0(8) .
N1 C1 H1 118.5 .
C2 C1 H1 118.5 .
C1 C2 C3 119.4(8) .
C1 C2 H14 120.3 .
C3 C2 H14 120.3 .
C2 C3 C4 118.9(8) .
C2 C3 H2 120.6 .
C4 C3 H2 120.6 .
C3 C4 C5 118.4(8) .
C3 C4 H3 120.8 .
C5 C4 H3 120.8 .
N1 C5 C4 123.2(7) .
N1 C5 P1 114.5(6) .
C4 C5 P1 121.9(6) .
N2 C6 C10 125.8(7) .
N2 C6 P1 112.8(6) .
C10 C6 P1 121.4(7) .
N2 C7 C8 120.8(10) .
N2 C7 H4 119.6 .
C8 C7 H4 119.6 .
C9 C8 C7 121.8(10) .
C9 C8 H5 119.1 .
C7 C8 H5 119.1 .
C8 C9 C10 117.8(10) .
C8 C9 H7 121.1 .
C10 C9 H7 121.1 .
C6 C10 C9 117.7(9) .
C6 C10 H6 121.2 .
C9 C10 H6 121.2 .
N3 C11 C15 122.9(7) .
N3 C11 P1 115.4(5) .
C15 C11 P1 121.8(6) .
N3 C12 C13 122.3(8) .
N3 C12 H11 118.8 .
C13 C12 H11 118.8 .
C14 C13 C12 119.6(8) .
C14 C13 H8 120.2 .
C12 C13 H8 120.2 .
C13 C14 C15 119.5(8) .
C13 C14 H10 120.3 .
C15 C14 H10 120.3 .
C14 C15 C11 118.2(8) .
C14 C15 H9 120.9 .
C11 C15 H9 120.9 .
C17' C16 P1 123.5(9) .
C17 C16 P1 108.9(10) .
C17 C16 H12 109.9 .
P1 C16 H12 109.9 .
C17 C16 H13 109.9 .
P1 C16 H13 109.9 .
H12 C16 H13 108.3 .
C18 C17 C16 113.3(13) .
C18 C17 H17A 108.9 .
C16 C17 H17A 108.9 .
C18 C17 H17B 108.9 .
C16 C17 H17B 108.9 .
H17A C17 H17B 107.7 .
C19 C18 C17 108(2) .
C19 C18 H18A 110.2 .
C17 C18 H18A 110.2 .
C19 C18 H18B 110.2 .
C17 C18 H18B 110.2 .
H18A C18 H18B 108.5 .
C18 C19 H19A 109.5 .
C18 C19 H19B 109.5 .
H19A C19 H19B 109.5 .
C18 C19 H19C 109.4 .
H19A C19 H19C 109.5 .
H19B C19 H19C 109.5 .
C18' C17' C16 108.9(13) .
C18' C17' H17' 109.9 .
C16 C17' H17' 109.9 .
C18' C17' H17" 109.9 .
C16 C17' H17" 109.9 .
H17' C17' H17" 108.3 .
C17' C18' C19' 113.3(17) .
C17' C18' H18' 108.9 .
C19' C18' H18' 108.9 .
C17' C18' H18" 108.9 .
C19' C18' H18" 109.0 .
H18' C18' H18" 107.7 .
C18' C19' H19D 109.5 .
C18' C19' H19E 109.5 .
H19D C19' H19E 109.5 .
C18' C19' H19F 109.4 .
H19D C19' H19F 109.5 .
H19E C19' H19F 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 I1 2.6551(15) 2_866
Cu1 I2 2.6804(15) .
Cu1 I1 2.6984(15) .
Cu1 I3 2.7627(16) .
Cu1 Cu2 2.9067(16) .
Cu2 N3 2.089(6) .
Cu2 N1 2.095(7) .
Cu2 I3 2.5639(12) .
Cu2 I2 2.6348(12) .
I1 Cu1 2.6551(15) 2_866
P1 C6 1.796(7) .
P1 C16 1.795(9) .
P1 C5 1.807(7) .
P1 C11 1.806(7) .
N1 C5 1.346(10) .
N1 C1 1.347(10) .
N2 C6 1.321(12) .
N2 C7 1.345(12) .
N3 C12 1.332(10) .
N3 C11 1.355(9) .
C1 C2 1.375(13) .
C1 H1 0.9300 .
C2 C3 1.379(14) .
C2 H14 0.9300 .
C3 C4 1.382(12) .
C3 H2 0.9300 .
C4 C5 1.393(11) .
C4 H3 0.9300 .
C6 C10 1.382(12) .
C7 C8 1.421(16) .
C7 H4 0.9300 .
C8 C9 1.324(18) .
C8 H5 0.9300 .
C9 C10 1.393(12) .
C9 H7 0.9300 .
C10 H6 0.9300 .
C11 C15 1.388(10) .
C12 C13 1.400(12) .
C12 H11 0.9300 .
C13 C14 1.348(14) .
C13 H8 0.9300 .
C14 C15 1.386(12) .
C14 H10 0.9300 .
C15 H9 0.9300 .
C16 C17' 1.532(9) .
C16 C17 1.551(9) .
C16 H12 0.9700 .
C16 H13 0.9700 .
C17 C18 1.535(10) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 C19 1.535(10) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C17' C18' 1.533(10) .
C17' H17' 0.9700 .
C17' H17" 0.9700 .
C18' C19' 1.537(10) .
C18' H18' 0.9700 .
C18' H18" 0.9700 .
C19' H19D 0.9600 .
C19' H19E 0.9600 .
C19' H19F 0.9600 .
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
C5 N1 C1 C2 1.4(14)
Cu2 N1 C1 C2 -168.0(8)
N1 C1 C2 C3 0.6(15)
C1 C2 C3 C4 -1.3(15)
C2 C3 C4 C5 0.1(14)
C1 N1 C5 C4 -2.6(12)
Cu2 N1 C5 C4 166.0(6)
C1 N1 C5 P1 170.0(6)
Cu2 N1 C5 P1 -21.3(8)
C3 C4 C5 N1 1.9(13)
C3 C4 C5 P1 -170.3(7)
C6 P1 C5 N1 -179.8(6)
C16 P1 C5 N1 -59.2(7)
C11 P1 C5 N1 61.2(6)
C6 P1 C5 C4 -7.0(8)
C16 P1 C5 C4 113.6(7)
C11 P1 C5 C4 -126.0(7)
C7 N2 C6 C10 -1.9(14)
C7 N2 C6 P1 178.3(7)
C16 P1 C6 N2 -178.4(6)
C5 P1 C6 N2 -59.7(7)
C11 P1 C6 N2 60.1(7)
C16 P1 C6 C10 1.8(9)
C5 P1 C6 C10 120.5(7)
C11 P1 C6 C10 -119.7(7)
C6 N2 C7 C8 0.1(15)
N2 C7 C8 C9 1.9(18)
C7 C8 C9 C10 -2.1(18)
N2 C6 C10 C9 1.7(14)
P1 C6 C10 C9 -178.5(8)
C8 C9 C10 C6 0.4(16)
C12 N3 C11 C15 1.4(12)
Cu2 N3 C11 C15 -164.5(6)
C12 N3 C11 P1 -179.7(6)
Cu2 N3 C11 P1 14.4(8)
C6 P1 C11 N3 -176.0(6)
C16 P1 C11 N3 61.9(7)
C5 P1 C11 N3 -57.3(6)
C6 P1 C11 C15 3.0(8)
C16 P1 C11 C15 -119.1(7)
C5 P1 C11 C15 121.7(7)
C11 N3 C12 C13 -2.6(13)
Cu2 N3 C12 C13 164.3(7)
N3 C12 C13 C14 3.7(15)
C12 C13 C14 C15 -3.2(17)
C13 C14 C15 C11 2.0(16)
N3 C11 C15 C14 -1.1(13)
P1 C11 C15 C14 -180.0(8)
C6 P1 C16 C17' 94.7(11)
C5 P1 C16 C17' -24.1(12)
C11 P1 C16 C17' -144.6(11)
C6 P1 C16 C17 61.4(10)
C5 P1 C16 C17 -57.4(10)
C11 P1 C16 C17 -177.8(9)
P1 C16 C17 C18 99.3(18)
C16 C17 C18 C19 -180(2)
P1 C16 C17' C18' -72.1(19)
C16 C17' C18' C19' -173(2)
