#------------------------------------------------------------------------------
#$Date: 2022-09-06 01:56:29 +0300 (Tue, 06 Sep 2022) $
#$Revision: 277639 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/11/7711165.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_7711165
loop_
_publ_author_name
'Miao, linkun'
'Yeganeh, Amir'
'Yeung, Jason'
'Stephan, Douglas W.'
_publ_section_title
;
 Reactions of A Lewis acidic methylene phosphonium cationic adduct with
 olefins
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT02855G
_journal_year                    2022
_chemical_formula_moiety         'Cl, C26 H24 Cl P2, C H2 Cl2'
_chemical_formula_sum            'C27 H26 Cl4 P2'
_chemical_formula_weight         554.22
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2021-06-16
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_audit_update_record
;
2022-07-31 deposited with the CCDC.	2022-09-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.703(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.6221(5)
_cell_length_b                   19.7278(10)
_cell_length_c                   14.1367(7)
_cell_measurement_reflns_used    9847
_cell_measurement_temperature    150.42
_cell_measurement_theta_max      26.40
_cell_measurement_theta_min      2.36
_cell_volume                     2677.9(2)
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150.42
_diffrn_measured_fraction_theta_full 1.000
_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  0.0403
_diffrn_reflns_av_unetI/netI     0.0249
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            42425
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.021
_diffrn_reflns_theta_min         2.359
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.576
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6659
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0578 before and 0.0474 after correction.
The Ratio of minimum to maximum transmission is 0.8933.
The λ/2 correction factor is Not present.
;
_exptl_crystal_density_diffrn    1.375
_exptl_crystal_description       shard
_exptl_crystal_F_000             1144
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.751
_refine_diff_density_min         -0.637
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     303
_refine_ls_number_reflns         5273
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0502
_refine_ls_R_factor_gt           0.0362
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0362P)²+2.8371P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0836
_refine_ls_wR_factor_ref         0.0911
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4320
_reflns_number_total             5273
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt02855g2.cif
_cod_data_source_block           fin_a
_cod_database_code               7711165
_shelx_shelxl_version_number     2018/3
_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_max   0.994
_shelx_estimated_absorpt_t_min   0.983
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C00X(H00Y,H)
2.b Aromatic/amide H refined with riding coordinates:
 C00A(H00A), C00C(H00C), C00E(H00E), C00F(H00F), C00G(H00G), C00H(H00H),
 C00I(H00I), C00J(H00J), C00K(H00K), C00L(H00L), C00M(H00M), C00N(H00N),
 C00O(H00O), C00P(H00P), C00R(H00S), C00S(H00T), C00T(H00U), C00U(H00V),
 C00V(H00W), C00W(H00X)
2.c Idealised Me refined as rotating group:
 C00Q(H00B,H00Q,H00R)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_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
Cl01 Cl 0.38086(6) 0.57735(3) 0.30601(4) 0.02602(13) Uani 1 1 d . . . . .
P002 P 0.51702(5) 0.35179(3) 0.33552(4) 0.01777(12) Uani 1 1 d . . . . .
Cl03 Cl 0.45226(6) 0.31481(3) 0.46304(4) 0.03209(14) Uani 1 1 d . . . . .
P004 P 0.73422(6) 0.46352(3) 0.37118(4) 0.02019(13) Uani 1 1 d . . . . .
Cl05 Cl 0.50443(8) 0.59912(5) -0.01953(5) 0.0566(2) Uani 1 1 d . . . . .
Cl06 Cl 0.24419(8) 0.65142(4) 0.04676(6) 0.0571(2) Uani 1 1 d . . . . .
C007 C 0.3617(2) 0.34242(10) 0.25858(14) 0.0195(4) Uani 1 1 d . . . . .
C008 C 0.8531(2) 0.40059(10) 0.42016(14) 0.0196(4) Uani 1 1 d . . . . .
C009 C 0.6426(2) 0.28963(10) 0.30339(15) 0.0206(4) Uani 1 1 d . . . . .
C00A C 0.3127(2) 0.27701(11) 0.23734(16) 0.0260(5) Uani 1 1 d . . . . .
H00A H 0.358950 0.238803 0.265559 0.031 Uiso 1 1 calc R U . . .
C00B C 0.8161(2) 0.50079(11) 0.27208(16) 0.0234(5) Uani 1 1 d . . . . .
C00C C 0.9522(2) 0.37126(11) 0.36471(16) 0.0253(5) Uani 1 1 d . . . . .
H00C H 0.957840 0.384870 0.300606 0.030 Uiso 1 1 calc R U . . .
C00D C 0.5727(2) 0.43149(11) 0.33576(16) 0.0230(5) Uani 1 1 d . . . . .
C00E C 0.2921(2) 0.39868(11) 0.21869(16) 0.0248(5) Uani 1 1 d . . . . .
H00E H 0.323880 0.443221 0.233668 0.030 Uiso 1 1 calc R U . . .
C00F C 0.6944(2) 0.29699(12) 0.21448(16) 0.0283(5) Uani 1 1 d . . . . .
H00F H 0.664733 0.333906 0.175023 0.034 Uiso 1 1 calc R U . . .
C00G C 0.8455(2) 0.38045(12) 0.51404(16) 0.0277(5) Uani 1 1 d . . . . .
H00G H 0.777440 0.399564 0.551889 0.033 Uiso 1 1 calc R U . . .
C00H C 0.7533(2) 0.49627(13) 0.18113(17) 0.0315(5) Uani 1 1 d . . . . .
H00H H 0.664284 0.475758 0.171043 0.038 Uiso 1 1 calc R U . . .
C00I C 0.9470(2) 0.53142(12) 0.28578(17) 0.0307(5) Uani 1 1 d . . . . .
H00I H 0.990946 0.534403 0.347774 0.037 Uiso 1 1 calc R U . . .
C00J C 0.1754(2) 0.38871(13) 0.15670(17) 0.0311(5) Uani 1 1 d . . . . .
H00J H 0.127411 0.426720 0.129299 0.037 Uiso 1 1 calc R U . . .
C00K C 0.7892(2) 0.25049(13) 0.18332(17) 0.0343(6) Uani 1 1 d . . . . .
H00K H 0.825438 0.255963 0.122837 0.041 Uiso 1 1 calc R U . . .
C00L C 0.1965(2) 0.26785(13) 0.17507(18) 0.0324(5) Uani 1 1 d . . . . .
H00L H 0.163507 0.223479 0.160218 0.039 Uiso 1 1 calc R U . . .
C00M C 0.1290(2) 0.32398(13) 0.13473(17) 0.0331(5) Uani 1 1 d . . . . .
H00M H 0.050116 0.317840 0.091607 0.040 Uiso 1 1 calc R U . . .
C00N C 1.0420(2) 0.32245(13) 0.40326(18) 0.0323(5) Uani 1 1 d . . . . .
H00N H 1.108542 0.302035 0.365404 0.039 Uiso 1 1 calc R U . . .
C00O C 1.0131(3) 0.55748(13) 0.20913(19) 0.0359(6) Uani 1 1 d . . . . .
H00O H 1.101426 0.578751 0.218698 0.043 Uiso 1 1 calc R U . . .
C00P C 0.9381(3) 0.33225(13) 0.55185(17) 0.0346(6) Uani 1 1 d . . . . .
H00P H 0.934571 0.319040 0.616271 0.042 Uiso 1 1 calc R U . . .
C00Q C 0.7162(3) 0.52928(12) 0.45751(18) 0.0327(5) Uani 1 1 d . . . . .
H00B H 0.685210 0.509420 0.516110 0.049 Uiso 1 1 calc R U . . .
H00Q H 0.647339 0.562502 0.432799 0.049 Uiso 1 1 calc R U . . .
H00R H 0.806146 0.551786 0.470708 0.049 Uiso 1 1 calc R U . . .
C00R C 1.0351(3) 0.30337(13) 0.49673(18) 0.0346(6) Uani 1 1 d . . . . .
H00S H 1.097552 0.270127 0.523216 0.042 Uiso 1 1 calc R U . . .
C00S C 0.9496(3) 0.55230(14) 0.11900(19) 0.0388(6) Uani 1 1 d . . . . .
H00T H 0.994650 0.569857 0.066417 0.047 Uiso 1 1 calc R U . . .
C00T C 0.6860(3) 0.23555(13) 0.3607(2) 0.0395(6) Uani 1 1 d . . . . .
H00U H 0.651622 0.230136 0.421721 0.047 Uiso 1 1 calc R U . . .
C00U C 0.8312(3) 0.19645(13) 0.2396(2) 0.0426(7) Uani 1 1 d . . . . .
H00V H 0.894985 0.164162 0.217794 0.051 Uiso 1 1 calc R U . . .
C00V C 0.8208(3) 0.52172(14) 0.10496(19) 0.0410(6) Uani 1 1 d . . . . .
H00W H 0.778148 0.518088 0.042668 0.049 Uiso 1 1 calc R U . . .
C00W C 0.7803(3) 0.18947(14) 0.3275(2) 0.0531(8) Uani 1 1 d . . . . .
H00X H 0.810300 0.152339 0.366447 0.064 Uiso 1 1 calc R U . . .
C00X C 0.3949(4) 0.6050(3) 0.0735(3) 0.108(2) Uani 1 1 d . . . . .
H00Y H 0.368641 0.558707 0.092451 0.130 Uiso 1 1 calc R U . . .
H H 0.447007 0.626263 0.128426 0.130 Uiso 1 1 calc R U . . .
H00D H 0.507(3) 0.4625(14) 0.3297(18) 0.036(7) Uiso 1 1 d . . . . .
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'
Cl Cl 0.1484 0.1585 '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'
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
C007 P002 Cl03 101.79(7) . . ?
C009 P002 Cl03 102.92(7) . . ?
C009 P002 C007 108.81(9) . . ?
C00D P002 Cl03 116.45(8) . . ?
C00D P002 C007 110.70(11) . . ?
C00D P002 C009 115.06(10) . . ?
C008 P004 C00B 106.36(10) . . ?
C008 P004 C00Q 108.91(11) . . ?
C00D P004 C008 113.49(10) . . ?
C00D P004 C00B 110.75(11) . . ?
C00D P004 C00Q 109.72(11) . . ?
C00Q P004 C00B 107.38(11) . . ?
C00A C007 P002 118.63(16) . . ?
C00E C007 P002 121.36(16) . . ?
C00E C007 C00A 120.0(2) . . ?
C00C C008 P004 120.68(16) . . ?
C00G C008 P004 119.59(16) . . ?
C00G C008 C00C 119.7(2) . . ?
C00F C009 P002 116.29(16) . . ?
C00T C009 P002 123.93(18) . . ?
C00T C009 C00F 119.8(2) . . ?
C007 C00A H00A 119.9 . . ?
C00L C00A C007 120.1(2) . . ?
C00L C00A H00A 119.9 . . ?
C00H C00B P004 120.46(17) . . ?
C00H C00B C00I 119.3(2) . . ?
C00I C00B P004 120.12(17) . . ?
C008 C00C H00C 120.0 . . ?
C00N C00C C008 119.9(2) . . ?
C00N C00C H00C 120.0 . . ?
P002 C00D P004 129.27(14) . . ?
P002 C00D H00D 115.6(17) . . ?
P004 C00D H00D 113.6(17) . . ?
C007 C00E H00E 120.4 . . ?
C00J C00E C007 119.2(2) . . ?
C00J C00E H00E 120.4 . . ?
C009 C00F H00F 120.0 . . ?
C00K C00F C009 120.0(2) . . ?
C00K C00F H00F 120.0 . . ?
C008 C00G H00G 120.3 . . ?
C00P C00G C008 119.4(2) . . ?
C00P C00G H00G 120.3 . . ?
C00B C00H H00H 120.0 . . ?
C00V C00H C00B 119.9(2) . . ?
C00V C00H H00H 120.0 . . ?
C00B C00I H00I 119.8 . . ?
C00O C00I C00B 120.3(2) . . ?
C00O C00I H00I 119.8 . . ?
C00E C00J H00J 119.7 . . ?
C00M C00J C00E 120.5(2) . . ?
C00M C00J H00J 119.7 . . ?
C00F C00K H00K 119.9 . . ?
C00U C00K C00F 120.2(2) . . ?
C00U C00K H00K 119.9 . . ?
C00A C00L H00L 120.2 . . ?
C00M C00L C00A 119.5(2) . . ?
C00M C00L H00L 120.2 . . ?
C00J C00M C00L 120.6(2) . . ?
C00J C00M H00M 119.7 . . ?
C00L C00M H00M 119.7 . . ?
C00C C00N H00N 120.0 . . ?
C00R C00N C00C 120.0(2) . . ?
C00R C00N H00N 120.0 . . ?
C00I C00O H00O 120.2 . . ?
C00S C00O C00I 119.6(2) . . ?
C00S C00O H00O 120.2 . . ?
C00G C00P H00P 119.7 . . ?
C00R C00P C00G 120.5(2) . . ?
C00R C00P H00P 119.7 . . ?
P004 C00Q H00B 109.5 . . ?
P004 C00Q H00Q 109.5 . . ?
P004 C00Q H00R 109.5 . . ?
H00B C00Q H00Q 109.5 . . ?
H00B C00Q H00R 109.5 . . ?
H00Q C00Q H00R 109.5 . . ?
C00N C00R H00S 119.8 . . ?
C00P C00R C00N 120.4(2) . . ?
C00P C00R H00S 119.8 . . ?
C00O C00S H00T 119.9 . . ?
C00V C00S C00O 120.3(2) . . ?
C00V C00S H00T 119.9 . . ?
C009 C00T H00U 120.5 . . ?
C009 C00T C00W 119.0(3) . . ?
C00W C00T H00U 120.5 . . ?
C00K C00U H00V 120.2 . . ?
C00W C00U C00K 119.6(2) . . ?
C00W C00U H00V 120.2 . . ?
C00H C00V H00W 119.8 . . ?
C00S C00V C00H 120.5(2) . . ?
C00S C00V H00W 119.8 . . ?
C00T C00W H00X 119.3 . . ?
C00U C00W C00T 121.3(3) . . ?
C00U C00W H00X 119.3 . . ?
Cl05 C00X H00Y 108.7 . . ?
Cl05 C00X H 108.7 . . ?
Cl06 C00X Cl05 114.2(2) . . ?
Cl06 C00X H00Y 108.7 . . ?
Cl06 C00X H 108.7 . . ?
H00Y C00X H 107.6 . . ?
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
P002 Cl03 2.0774(7) . ?
P002 C007 1.801(2) . ?
P002 C009 1.800(2) . ?
P002 C00D 1.661(2) . ?
P004 C008 1.796(2) . ?
P004 C00B 1.807(2) . ?
P004 C00D 1.722(2) . ?
P004 C00Q 1.797(2) . ?
Cl05 C00X 1.741(4) . ?
Cl06 C00X 1.736(4) . ?
C007 C00A 1.400(3) . ?
C007 C00E 1.396(3) . ?
C008 C00C 1.399(3) . ?
C008 C00G 1.392(3) . ?
C009 C00F 1.389(3) . ?
C009 C00T 1.387(3) . ?
C00A H00A 0.9500 . ?
C00A C00L 1.389(3) . ?
C00B C00H 1.387(3) . ?
C00B C00I 1.399(3) . ?
C00C H00C 0.9500 . ?
C00C C00N 1.382(3) . ?
C00D H00D 0.88(3) . ?
C00E H00E 0.9500 . ?
C00E C00J 1.392(3) . ?
C00F H00F 0.9500 . ?
C00F C00K 1.386(3) . ?
C00G H00G 0.9500 . ?
C00G C00P 1.386(3) . ?
C00H H00H 0.9500 . ?
C00H C00V 1.387(3) . ?
C00I H00I 0.9500 . ?
C00I C00O 1.390(3) . ?
C00J H00J 0.9500 . ?
C00J C00M 1.382(3) . ?
C00K H00K 0.9500 . ?
C00K C00U 1.375(4) . ?
C00L H00L 0.9500 . ?
C00L C00M 1.388(4) . ?
C00M H00M 0.9500 . ?
C00N H00N 0.9500 . ?
C00N C00R 1.380(4) . ?
C00O H00O 0.9500 . ?
C00O C00S 1.381(4) . ?
C00P H00P 0.9500 . ?
C00P C00R 1.377(4) . ?
C00Q H00B 0.9800 . ?
C00Q H00Q 0.9800 . ?
C00Q H00R 0.9800 . ?
C00R H00S 0.9500 . ?
C00S H00T 0.9500 . ?
C00S C00V 1.381(4) . ?
C00T H00U 0.9500 . ?
C00T C00W 1.387(4) . ?
C00U H00V 0.9500 . ?
C00U C00W 1.371(4) . ?
C00V H00W 0.9500 . ?
C00W H00X 0.9500 . ?
C00X H00Y 0.9900 . ?
C00X H 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
P002 C007 C00A C00L -177.28(17) . . . . ?
P002 C007 C00E C00J 177.51(17) . . . . ?
P002 C009 C00F C00K -178.62(18) . . . . ?
P002 C009 C00T C00W 178.1(2) . . . . ?
Cl03 P002 C007 C00A -65.88(17) . . . . ?
Cl03 P002 C007 C00E 115.54(17) . . . . ?
Cl03 P002 C009 C00F 173.35(16) . . . . ?
Cl03 P002 C009 C00T -5.1(2) . . . . ?
Cl03 P002 C00D P004 82.57(17) . . . . ?
P004 C008 C00C C00N -179.40(18) . . . . ?
P004 C008 C00G C00P -179.50(18) . . . . ?
P004 C00B C00H C00V -176.4(2) . . . . ?
P004 C00B C00I C00O 177.15(18) . . . . ?
C007 P002 C009 C00F 65.92(19) . . . . ?
C007 P002 C009 C00T -112.5(2) . . . . ?
C007 P002 C00D P004 -161.85(15) . . . . ?
C007 C00A C00L C00M -0.5(3) . . . . ?
C007 C00E C00J C00M -0.1(3) . . . . ?
C008 P004 C00B C00H 118.77(19) . . . . ?
C008 P004 C00B C00I -57.9(2) . . . . ?
C008 P004 C00D P002 -3.7(2) . . . . ?
C008 C00C C00N C00R -0.9(4) . . . . ?
C008 C00G C00P C00R -1.3(4) . . . . ?
C009 P002 C007 C00A 42.33(19) . . . . ?
C009 P002 C007 C00E -136.26(17) . . . . ?
C009 P002 C00D P004 -38.0(2) . . . . ?
C009 C00F C00K C00U 0.8(4) . . . . ?
C009 C00T C00W C00U 0.0(5) . . . . ?
C00A C007 C00E C00J -1.1(3) . . . . ?
C00A C00L C00M C00J -0.7(4) . . . . ?
C00B P004 C008 C00C -23.5(2) . . . . ?
C00B P004 C008 C00G 157.09(17) . . . . ?
C00B P004 C00D P002 115.88(17) . . . . ?
C00B C00H C00V C00S -0.7(4) . . . . ?
C00B C00I C00O C00S -0.8(4) . . . . ?
C00C C008 C00G C00P 1.0(3) . . . . ?
C00C C00N C00R C00P 0.6(4) . . . . ?
C00D P002 C007 C00A 169.70(17) . . . . ?
C00D P002 C007 C00E -8.9(2) . . . . ?
C00D P002 C009 C00F -58.9(2) . . . . ?
C00D P002 C009 C00T 122.7(2) . . . . ?
C00D P004 C008 C00C 98.56(19) . . . . ?
C00D P004 C008 C00G -80.89(19) . . . . ?
C00D P004 C00B C00H -5.0(2) . . . . ?
C00D P004 C00B C00I 178.38(18) . . . . ?
C00E C007 C00A C00L 1.3(3) . . . . ?
C00E C00J C00M C00L 0.9(4) . . . . ?
C00F C009 C00T C00W -0.3(4) . . . . ?
C00F C00K C00U C00W -1.1(4) . . . . ?
C00G C008 C00C C00N 0.1(3) . . . . ?
C00G C00P C00R C00N 0.5(4) . . . . ?
C00H C00B C00I C00O 0.5(3) . . . . ?
C00I C00B C00H C00V 0.3(4) . . . . ?
C00I C00O C00S C00V 0.3(4) . . . . ?
C00K C00U C00W C00T 0.7(4) . . . . ?
C00O C00S C00V C00H 0.4(4) . . . . ?
C00Q P004 C008 C00C -138.90(18) . . . . ?
C00Q P004 C008 C00G 41.6(2) . . . . ?
C00Q P004 C00B C00H -124.8(2) . . . . ?
C00Q P004 C00B C00I 58.6(2) . . . . ?
C00Q P004 C00D P002 -125.76(17) . . . . ?
C00T C009 C00F C00K -0.1(3) . . . . ?
