#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:29:17 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179113 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/75/4307531.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_4307531
loop_
_publ_author_name
'L. Jonas L Häller'
'Nikolas Kaltsoyannis'
'Mark J. Sarsfield'
'Iain May'
'Stéphanie M. Cornet'
'Michael P. Redmond'
'Madeleine Helliwell'
_publ_section_title
;
A Structural and Theoretical Investigation of Equatorial cis and trans
Uranyl Phosphinimine and Uranyl Phosphine Oxide Complexes
UO2Cl2(Cy3PNH)2 and UO2Cl2(Cy3PO)2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4868
_journal_page_last               4875
_journal_paper_doi               10.1021/ic062031m
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C38 H72 Cl6 N2 O2 P2 U'
_chemical_formula_weight         1101.65
_chemical_name_systematic
; 
 ? 
;
_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                 90.736(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.575(2)
_cell_length_b                   12.113(2)
_cell_length_c                   16.600(3)
_cell_measurement_reflns_used    2443
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.17
_cell_measurement_theta_min      2.43
_cell_volume                     2327.3(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0540
_diffrn_reflns_av_sigmaI/netI    0.0668
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            12968
_diffrn_reflns_theta_full        26.38
_diffrn_reflns_theta_max         26.38
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    3.934
_exptl_absorpt_correction_T_max  0.6944
_exptl_absorpt_correction_T_min  0.5899
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cubic
_exptl_crystal_F_000             1108
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         4.483
_refine_diff_density_min         -2.394
_refine_diff_density_rms         0.177
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     236
_refine_ls_number_reflns         4745
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0637
_refine_ls_R_factor_gt           0.0447
_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)+(0.0610P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1032
_refine_ls_wR_factor_ref         0.1110
_reflns_number_gt                3614
_reflns_number_total             4745
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic062031m-file003.cif
_cod_data_source_block           s1264abs3
_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        2327.4(8)
_cod_database_code               4307531
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
U1 U 0.5000 0.5000 1.0000 0.01352(11) Uani 1 2 d S . .
O1 O 0.5309(3) 0.3551(3) 0.9986(2) 0.0184(9) Uani 1 1 d . . .
N1 N 0.3549(4) 0.4776(4) 0.8973(3) 0.0153(11) Uani 1 1 d . . .
H1N H 0.344(7) 0.532(6) 0.880(4) 0.03(2) Uiso 1 1 d . . .
Cl1 Cl 0.65773(12) 0.53407(13) 0.88382(9) 0.0204(3) Uani 1 1 d . . .
P1 P 0.29264(12) 0.38050(12) 0.84538(8) 0.0138(3) Uani 1 1 d . . .
C1 C 0.1568(4) 0.4304(5) 0.7986(3) 0.0146(12) Uani 1 1 d . . .
H1 H 0.1807 0.4787 0.7529 0.018 Uiso 1 1 calc R . .
C2 C 0.0831(5) 0.5054(5) 0.8541(4) 0.0226(13) Uani 1 1 d . . .
H2A H 0.0577 0.4625 0.9014 0.027 Uiso 1 1 calc R . .
H2B H 0.1307 0.5680 0.8736 0.027 Uiso 1 1 calc R . .
C3 C -0.0233(5) 0.5497(5) 0.8080(4) 0.0199(13) Uani 1 1 d . . .
H3A H -0.0719 0.5925 0.8454 0.024 Uiso 1 1 calc R . .
H3B H 0.0024 0.6003 0.7650 0.024 Uiso 1 1 calc R . .
C4 C -0.0948(5) 0.4573(5) 0.7708(4) 0.0191(13) Uani 1 1 d . . .
H4A H -0.1606 0.4893 0.7402 0.023 Uiso 1 1 calc R . .
H4B H -0.1263 0.4104 0.8141 0.023 Uiso 1 1 calc R . .
C5 C -0.0221(5) 0.3856(5) 0.7141(3) 0.0193(12) Uani 1 1 d . . .
H5A H 0.0045 0.4308 0.6682 0.023 Uiso 1 1 calc R . .
H5B H -0.0700 0.3245 0.6924 0.023 Uiso 1 1 calc R . .
C6 C 0.0830(5) 0.3381(5) 0.7602(3) 0.0164(12) Uani 1 1 d . . .
H6A H 0.0560 0.2876 0.8029 0.020 Uiso 1 1 calc R . .
H6B H 0.1311 0.2949 0.7227 0.020 Uiso 1 1 calc R . .
C7 C 0.3828(5) 0.3315(5) 0.7620(3) 0.0164(12) Uani 1 1 d . . .
H7 H 0.3382 0.2739 0.7317 0.020 Uiso 1 1 calc R . .
C8 C 0.4096(5) 0.4271(5) 0.7029(3) 0.0219(13) Uani 1 1 d . . .
H8A H 0.3362 0.4569 0.6805 0.026 Uiso 1 1 calc R . .
H8B H 0.4493 0.4874 0.7325 0.026 Uiso 1 1 calc R . .
C9 C 0.4867(5) 0.3876(5) 0.6331(3) 0.0248(14) Uani 1 1 d . . .
H9A H 0.4433 0.3338 0.5996 0.030 Uiso 1 1 calc R . .
H9B H 0.5064 0.4514 0.5986 0.030 Uiso 1 1 calc R . .
C10 C 0.5986(5) 0.3335(5) 0.6646(4) 0.0242(14) Uani 1 1 d . . .
H10A H 0.6439 0.3053 0.6187 0.029 Uiso 1 1 calc R . .
H10B H 0.6462 0.3890 0.6936 0.029 Uiso 1 1 calc R . .
C11 C 0.5694(5) 0.2384(5) 0.7214(3) 0.0223(14) Uani 1 1 d . . .
H11A H 0.6418 0.2046 0.7419 0.027 Uiso 1 1 calc R . .
H11B H 0.5257 0.1812 0.6913 0.027 Uiso 1 1 calc R . .
C12 C 0.4971(5) 0.2786(5) 0.7929(3) 0.0186(13) Uani 1 1 d . . .
H12A H 0.5419 0.3336 0.8245 0.022 Uiso 1 1 calc R . .
H12B H 0.4796 0.2156 0.8286 0.022 Uiso 1 1 calc R . .
C13 C 0.2689(5) 0.2653(4) 0.9146(3) 0.0154(12) Uani 1 1 d . . .
H13 H 0.3423 0.2576 0.9465 0.018 Uiso 1 1 calc R . .
C14 C 0.2468(5) 0.1501(5) 0.8755(3) 0.0195(13) Uani 1 1 d . . .
H14A H 0.1729 0.1513 0.8448 0.023 Uiso 1 1 calc R . .
H14B H 0.3096 0.1326 0.8376 0.023 Uiso 1 1 calc R . .
C15 C 0.2419(5) 0.0616(5) 0.9417(4) 0.0222(13) Uani 1 1 d . . .
H15A H 0.2256 -0.0111 0.9168 0.027 Uiso 1 1 calc R . .
H15B H 0.3180 0.0570 0.9694 0.027 Uiso 1 1 calc R . .
C16 C 0.1492(5) 0.0875(5) 1.0030(4) 0.0241(14) Uani 1 1 d . . .
H16A H 0.1509 0.0307 1.0459 0.029 Uiso 1 1 calc R . .
H16B H 0.0723 0.0849 0.9763 0.029 Uiso 1 1 calc R . .
C17 C 0.1677(5) 0.2020(5) 1.0409(4) 0.0230(14) Uani 1 1 d . . .
H17A H 0.2397 0.2015 1.0737 0.028 Uiso 1 1 calc R . .
H17B H 0.1027 0.2188 1.0770 0.028 Uiso 1 1 calc R . .
C18 C 0.1757(5) 0.2925(5) 0.9757(3) 0.0179(12) Uani 1 1 d . . .
H18A H 0.1002 0.2996 0.9476 0.021 Uiso 1 1 calc R . .
H18B H 0.1937 0.3641 1.0017 0.021 Uiso 1 1 calc R . .
Cl2 Cl 0.83152(13) 0.17017(13) 0.85412(9) 0.0259(3) Uani 1 1 d . . .
Cl3 Cl 0.84653(15) 0.26013(17) 1.01679(10) 0.0407(5) Uani 1 1 d . . .
C19 C 0.7565(5) 0.2415(5) 0.9308(3) 0.0247(14) Uani 1 1 d . . .
H19A H 0.7309 0.3143 0.9102 0.030 Uiso 1 1 calc R . .
H19B H 0.6870 0.1989 0.9458 0.030 Uiso 1 1 calc R . .
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'
O O 0.0106 0.0060 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 '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
O1 U1 O1 180.000(2) . 3_667 ?
O1 U1 N1 91.03(16) . . ?
O1 U1 N1 88.97(16) 3_667 . ?
O1 U1 N1 88.97(16) . 3_667 ?
O1 U1 N1 91.03(16) 3_667 3_667 ?
N1 U1 N1 180.000(1) . 3_667 ?
O1 U1 Cl1 90.20(12) . . ?
O1 U1 Cl1 89.80(12) 3_667 . ?
N1 U1 Cl1 89.06(12) . . ?
N1 U1 Cl1 90.94(12) 3_667 . ?
O1 U1 Cl1 89.80(12) . 3_667 ?
O1 U1 Cl1 90.20(12) 3_667 3_667 ?
N1 U1 Cl1 90.94(12) . 3_667 ?
N1 U1 Cl1 89.06(12) 3_667 3_667 ?
Cl1 U1 Cl1 180.0 . 3_667 ?
P1 N1 U1 139.8(3) . . ?
P1 N1 H1N 112(6) . . ?
U1 N1 H1N 107(6) . . ?
N1 P1 C13 106.8(3) . . ?
N1 P1 C7 112.4(3) . . ?
C13 P1 C7 108.5(3) . . ?
N1 P1 C1 110.9(3) . . ?
C13 P1 C1 112.3(3) . . ?
C7 P1 C1 106.1(2) . . ?
C6 C1 C2 111.3(5) . . ?
C6 C1 P1 113.6(4) . . ?
C2 C1 P1 114.4(4) . . ?
C6 C1 H1 105.5 . . ?
C2 C1 H1 105.5 . . ?
P1 C1 H1 105.5 . . ?
C3 C2 C1 110.6(5) . . ?
C3 C2 H2A 109.5 . . ?
C1 C2 H2A 109.5 . . ?
C3 C2 H2B 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 108.1 . . ?
C4 C3 C2 111.9(5) . . ?
C4 C3 H3A 109.2 . . ?
C2 C3 H3A 109.2 . . ?
C4 C3 H3B 109.2 . . ?
C2 C3 H3B 109.2 . . ?
H3A C3 H3B 107.9 . . ?
C3 C4 C5 111.4(5) . . ?
C3 C4 H4A 109.3 . . ?
C5 C4 H4A 109.3 . . ?
C3 C4 H4B 109.3 . . ?
C5 C4 H4B 109.3 . . ?
H4A C4 H4B 108.0 . . ?
C4 C5 C6 109.9(4) . . ?
C4 C5 H5A 109.7 . . ?
C6 C5 H5A 109.7 . . ?
C4 C5 H5B 109.7 . . ?
C6 C5 H5B 109.7 . . ?
H5A C5 H5B 108.2 . . ?
C1 C6 C5 111.4(5) . . ?
C1 C6 H6A 109.4 . . ?
C5 C6 H6A 109.4 . . ?
C1 C6 H6B 109.4 . . ?
C5 C6 H6B 109.4 . . ?
H6A C6 H6B 108.0 . . ?
C12 C7 C8 109.9(5) . . ?
C12 C7 P1 112.0(4) . . ?
C8 C7 P1 110.8(4) . . ?
C12 C7 H7 108.0 . . ?
C8 C7 H7 108.0 . . ?
P1 C7 H7 108.0 . . ?
C9 C8 C7 111.4(5) . . ?
C9 C8 H8A 109.4 . . ?
C7 C8 H8A 109.4 . . ?
C9 C8 H8B 109.4 . . ?
C7 C8 H8B 109.4 . . ?
H8A C8 H8B 108.0 . . ?
C10 C9 C8 111.7(5) . . ?
C10 C9 H9A 109.3 . . ?
C8 C9 H9A 109.3 . . ?
C10 C9 H9B 109.3 . . ?
C8 C9 H9B 109.3 . . ?
H9A C9 H9B 107.9 . . ?
C11 C10 C9 109.8(5) . . ?
C11 C10 H10A 109.7 . . ?
C9 C10 H10A 109.7 . . ?
C11 C10 H10B 109.7 . . ?
C9 C10 H10B 109.7 . . ?
H10A C10 H10B 108.2 . . ?
C10 C11 C12 111.3(5) . . ?
C10 C11 H11A 109.4 . . ?
C12 C11 H11A 109.4 . . ?
C10 C11 H11B 109.4 . . ?
C12 C11 H11B 109.4 . . ?
H11A C11 H11B 108.0 . . ?
C11 C12 C7 110.3(5) . . ?
C11 C12 H12A 109.6 . . ?
C7 C12 H12A 109.6 . . ?
C11 C12 H12B 109.6 . . ?
C7 C12 H12B 109.6 . . ?
H12A C12 H12B 108.1 . . ?
C18 C13 C14 110.8(5) . . ?
C18 C13 P1 111.5(4) . . ?
C14 C13 P1 116.5(4) . . ?
C18 C13 H13 105.7 . . ?
C14 C13 H13 105.7 . . ?
P1 C13 H13 105.7 . . ?
C15 C14 C13 109.5(5) . . ?
C15 C14 H14A 109.8 . . ?
C13 C14 H14A 109.8 . . ?
C15 C14 H14B 109.8 . . ?
C13 C14 H14B 109.8 . . ?
H14A C14 H14B 108.2 . . ?
C16 C15 C14 111.6(5) . . ?
C16 C15 H15A 109.3 . . ?
C14 C15 H15A 109.3 . . ?
C16 C15 H15B 109.3 . . ?
C14 C15 H15B 109.3 . . ?
H15A C15 H15B 108.0 . . ?
C15 C16 C17 111.4(5) . . ?
C15 C16 H16A 109.4 . . ?
C17 C16 H16A 109.4 . . ?
C15 C16 H16B 109.4 . . ?
C17 C16 H16B 109.4 . . ?
H16A C16 H16B 108.0 . . ?
C16 C17 C18 111.4(5) . . ?
C16 C17 H17A 109.4 . . ?
C18 C17 H17A 109.4 . . ?
C16 C17 H17B 109.4 . . ?
C18 C17 H17B 109.4 . . ?
H17A C17 H17B 108.0 . . ?
C13 C18 C17 111.3(5) . . ?
C13 C18 H18A 109.4 . . ?
C17 C18 H18A 109.4 . . ?
C13 C18 H18B 109.4 . . ?
C17 C18 H18B 109.4 . . ?
H18A C18 H18B 108.0 . . ?
Cl3 C19 Cl2 110.6(3) . . ?
Cl3 C19 H19A 109.5 . . ?
Cl2 C19 H19A 109.5 . . ?
Cl3 C19 H19B 109.5 . . ?
Cl2 C19 H19B 109.5 . . ?
H19A C19 H19B 108.1 . . ?
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
U1 O1 1.792(4) . ?
U1 O1 1.792(4) 3_667 ?
U1 N1 2.392(5) . ?
U1 N1 2.392(5) 3_667 ?
U1 Cl1 2.7044(15) . ?
U1 Cl1 2.7044(15) 3_667 ?
N1 P1 1.622(5) . ?
N1 H1N 0.73(7) . ?
P1 C13 1.830(6) . ?
P1 C7 1.842(6) . ?
P1 C1 1.847(5) . ?
C1 C6 1.540(7) . ?
C1 C2 1.556(8) . ?
C1 H1 1.0000 . ?
C2 C3 1.538(8) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.519(9) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.539(8) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.541(7) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C12 1.552(8) . ?
C7 C8 1.552(8) . ?
C7 H7 1.0000 . ?
C8 C9 1.548(8) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.537(8) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.529(8) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.539(8) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C18 1.527(8) . ?
C13 C14 1.559(8) . ?
C13 H13 1.0000 . ?
C14 C15 1.537(8) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.522(8) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.536(8) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.543(8) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
Cl2 C19 1.774(6) . ?
Cl3 C19 1.772(6) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
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
O1 U1 N1 P1 3.7(4) . . . . ?
O1 U1 N1 P1 -176.3(4) 3_667 . . . ?
N1 U1 N1 P1 29(100) 3_667 . . . ?
Cl1 U1 N1 P1 93.9(4) . . . . ?
Cl1 U1 N1 P1 -86.1(4) 3_667 . . . ?
U1 N1 P1 C13 40.3(5) . . . . ?
U1 N1 P1 C7 -78.5(5) . . . . ?
U1 N1 P1 C1 162.9(4) . . . . ?
N1 P1 C1 C6 -170.4(4) . . . . ?
C13 P1 C1 C6 -51.0(5) . . . . ?
C7 P1 C1 C6 67.3(4) . . . . ?
N1 P1 C1 C2 -41.1(5) . . . . ?
C13 P1 C1 C2 78.3(5) . . . . ?
C7 P1 C1 C2 -163.3(4) . . . . ?
C6 C1 C2 C3 -53.7(6) . . . . ?
P1 C1 C2 C3 175.8(4) . . . . ?
C1 C2 C3 C4 54.7(7) . . . . ?
C2 C3 C4 C5 -57.0(7) . . . . ?
C3 C4 C5 C6 57.2(7) . . . . ?
C2 C1 C6 C5 55.4(6) . . . . ?
P1 C1 C6 C5 -173.7(4) . . . . ?
C4 C5 C6 C1 -56.5(6) . . . . ?
N1 P1 C7 C12 63.0(5) . . . . ?
C13 P1 C7 C12 -54.9(5) . . . . ?
C1 P1 C7 C12 -175.7(4) . . . . ?
N1 P1 C7 C8 -60.1(5) . . . . ?
C13 P1 C7 C8 -177.9(4) . . . . ?
C1 P1 C7 C8 61.2(4) . . . . ?
C12 C7 C8 C9 55.0(6) . . . . ?
P1 C7 C8 C9 179.2(4) . . . . ?
C7 C8 C9 C10 -55.3(7) . . . . ?
C8 C9 C10 C11 56.1(7) . . . . ?
C9 C10 C11 C12 -58.4(6) . . . . ?
C10 C11 C12 C7 59.3(6) . . . . ?
C8 C7 C12 C11 -56.7(6) . . . . ?
P1 C7 C12 C11 179.7(4) . . . . ?
N1 P1 C13 C18 70.2(4) . . . . ?
C7 P1 C13 C18 -168.5(4) . . . . ?
C1 P1 C13 C18 -51.6(4) . . . . ?
N1 P1 C13 C14 -161.3(4) . . . . ?
C7 P1 C13 C14 -39.9(5) . . . . ?
C1 P1 C13 C14 77.0(5) . . . . ?
C18 C13 C14 C15 -57.2(6) . . . . ?
P1 C13 C14 C15 173.9(4) . . . . ?
C13 C14 C15 C16 57.4(6) . . . . ?
C14 C15 C16 C17 -56.5(7) . . . . ?
C15 C16 C17 C18 54.4(7) . . . . ?
C14 C13 C18 C17 56.2(6) . . . . ?
P1 C13 C18 C17 -172.2(4) . . . . ?
C16 C17 C18 C13 -54.6(6) . . . . ?
