#------------------------------------------------------------------------------
#$Date: 2016-03-21 13:48:43 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178702 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/13/4081379.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_4081379
loop_
_publ_author_name
'Davies, Caroline J. E.'
'Lowe, John P.'
'Mahon, Mary F.'
'Poulten, Rebecca C.'
'Whittlesey, Michael K.'
_publ_section_title
;
 Synthesis and Small Molecule Reactivity oftrans-Dihydride Isomers of
 Ru(NHC)2(PPh3)2H2(NHC = N-Heterocyclic Carbene)
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4927
_journal_paper_doi               10.1021/om400648x
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C50 H55 I N4 P2 Ru'
_chemical_formula_weight         1001.89
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 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                 112.726(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.8860(5)
_cell_length_b                   11.5280(4)
_cell_length_c                   12.1890(5)
_cell_measurement_reflns_used    8054
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      0.998
_cell_volume                     2318.13(14)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Bruker AXS BV 1997-2004)'
_computing_data_reduction        'Denzo & Scalepack (Otwinowski, Minor 1997)'
_computing_molecular_graphics    'ORTEX (P.McArdle 1995)'
_computing_publication_material  'SHELXL-97/2 (Sheldrick 1997)'
_computing_structure_refinement  'SHELXL-97/2 (Sheldrick 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  '95mm CCD camera on κ-goniostat'
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0265
_diffrn_reflns_av_sigmaI/netI    0.0352
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            9900
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.79
_exptl_absorpt_coefficient_mu    1.111
_exptl_absorpt_correction_T_max  0.804
_exptl_absorpt_correction_T_min  0.758
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements 
 Sortav (Blessing 1995)
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.435
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1020
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.511
_refine_diff_density_min         -0.520
_refine_diff_density_rms         0.072
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.013(19)
_refine_ls_extinction_coef       0.0080(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     269
_refine_ls_number_reflns         5080
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.175
_refine_ls_R_factor_all          0.0302
_refine_ls_R_factor_gt           0.0261
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0312P)²+0.7834P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0643
_refine_ls_wR_factor_ref         0.0667
_reflns_number_gt                4744
_reflns_number_total             5080
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400648x_si_001.cif
_cod_data_source_block           h12mkw10
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      C2
_cod_database_code               4081379
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
I1 I 1.0000 0.86748(3) 0.5000 0.06609(12) Uani 1 2 d S
Ru1 Ru 1.0000 0.37298(2) 0.5000 0.02259(8) Uani 1 2 d SD
P1 P 1.00351(3) 0.37329(9) 0.69354(5) 0.02496(13) Uani 1 1 d .
N1 N 0.81460(13) 0.3011(2) 0.3708(2) 0.0323(5) Uani 1 1 d .
N2 N 0.83183(13) 0.4814(2) 0.4127(2) 0.0296(5) Uani 1 1 d .
C1 C 0.87388(12) 0.3804(3) 0.42284(19) 0.0262(5) Uani 1 1 d .
C2 C 0.73731(15) 0.3523(5) 0.3290(3) 0.0375(11) Uani 1 1 d .
C3 C 0.74871(16) 0.4651(3) 0.3561(3) 0.0372(7) Uani 1 1 d .
C4 C 0.82753(18) 0.1777(3) 0.3603(3) 0.0404(7) Uani 1 1 d .
H4A H 0.8819 0.1563 0.4163 0.061 Uiso 1 1 calc R
H4B H 0.8224 0.1602 0.2790 0.061 Uiso 1 1 calc R
H4C H 0.7870 0.1334 0.3786 0.061 Uiso 1 1 calc R
C5 C 0.66116(18) 0.2863(4) 0.2648(3) 0.0561(10) Uani 1 1 d .
H5A H 0.6144 0.3376 0.2484 0.084 Uiso 1 1 calc R
H5B H 0.6575 0.2211 0.3140 0.084 Uiso 1 1 calc R
H5C H 0.6616 0.2568 0.1896 0.084 Uiso 1 1 calc R
C6 C 0.68985(18) 0.5634(3) 0.3331(3) 0.0536(9) Uani 1 1 d .
H6A H 0.6354 0.5364 0.2829 0.080 Uiso 1 1 calc R
H6B H 0.7058 0.6263 0.2924 0.080 Uiso 1 1 calc R
H6C H 0.6899 0.5920 0.4088 0.080 Uiso 1 1 calc R
C7 C 0.87087(17) 0.5917(2) 0.4587(3) 0.0378(7) Uani 1 1 d .
H7A H 0.9298 0.5822 0.4888 0.057 Uiso 1 1 calc R
H7B H 0.8552 0.6177 0.5234 0.057 Uiso 1 1 calc R
H7C H 0.8538 0.6496 0.3948 0.057 Uiso 1 1 calc R
C8 C 0.91508(15) 0.4104(2) 0.7306(2) 0.0295(6) Uani 1 1 d .
C9 C 0.83902(14) 0.3681(3) 0.6596(2) 0.0343(5) Uani 1 1 d .
H9 H 0.8321 0.3274 0.5886 0.041 Uiso 1 1 calc R
C10 C 0.77265(17) 0.3846(5) 0.6911(3) 0.0402(9) Uani 1 1 d .
H10 H 0.7209 0.3555 0.6414 0.048 Uiso 1 1 calc R
C11 C 0.7823(2) 0.4430(3) 0.7945(3) 0.0424(7) Uani 1 1 d .
H11 H 0.7372 0.4529 0.8166 0.051 Uiso 1 1 calc R
C12 C 0.85693(19) 0.4871(3) 0.8659(3) 0.0421(7) Uani 1 1 d .
H12 H 0.8632 0.5287 0.9362 0.051 Uiso 1 1 calc R
C13 C 0.92362(18) 0.4703(3) 0.8341(3) 0.0368(6) Uani 1 1 d .
H13 H 0.9752 0.4999 0.8837 0.044 Uiso 1 1 calc R
C14 C 1.07903(17) 0.4809(3) 0.7811(2) 0.0325(6) Uani 1 1 d .
C15 C 1.0586(2) 0.5979(3) 0.7685(3) 0.0412(7) Uani 1 1 d .
H15 H 1.0045 0.6209 0.7227 0.049 Uiso 1 1 calc R
C16 C 1.1183(3) 0.6822(3) 0.8237(3) 0.0563(9) Uani 1 1 d .
H16 H 1.1042 0.7621 0.8150 0.068 Uiso 1 1 calc R
C17 C 1.1969(2) 0.6494(3) 0.8901(3) 0.0548(10) Uani 1 1 d .
H17 H 1.2369 0.7066 0.9278 0.066 Uiso 1 1 calc R
C18 C 1.2173(2) 0.5347(3) 0.9016(3) 0.0485(8) Uani 1 1 d .
H18 H 1.2718 0.5126 0.9469 0.058 Uiso 1 1 calc R
C19 C 1.15929(17) 0.4495(3) 0.8476(3) 0.0373(7) Uani 1 1 d .
H19 H 1.1744 0.3700 0.8560 0.045 Uiso 1 1 calc R
C20 C 1.03300(16) 0.2394(2) 0.7832(2) 0.0299(6) Uani 1 1 d .
C21 C 1.06314(17) 0.2441(3) 0.9069(3) 0.0382(7) Uani 1 1 d .
H21 H 1.0717 0.3171 0.9460 0.046 Uiso 1 1 calc R
C22 C 1.08074(18) 0.1423(3) 0.9735(3) 0.0460(8) Uani 1 1 d .
H22 H 1.1022 0.1459 1.0579 0.055 Uiso 1 1 calc R
C23 C 1.06677(19) 0.0347(3) 0.9162(3) 0.0469(8) Uani 1 1 d .
H23 H 1.0781 -0.0349 0.9614 0.056 Uiso 1 1 calc R
C24 C 1.03654(18) 0.0303(3) 0.7941(3) 0.0433(8) Uani 1 1 d .
H24 H 1.0271 -0.0431 0.7556 0.052 Uiso 1 1 calc R
C25 C 1.01982(16) 0.1286(3) 0.7269(3) 0.0375(6) Uani 1 1 d .
H25 H 0.9994 0.1233 0.6426 0.045 Uiso 1 1 calc R
H1 H 1.0000 0.2471 0.5000 0.063(15) Uiso 1 2 d SD
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'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 '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
C1 Ru1 C1 175.31(19) 2_756 .
C1 Ru1 P1 93.32(6) 2_756 2_756
C1 Ru1 P1 86.68(6) . 2_756
C1 Ru1 P1 86.68(6) 2_756 .
C1 Ru1 P1 93.31(6) . .
P1 Ru1 P1 179.83(5) 2_756 .
C1 Ru1 H1 92.3 2_756 .
C1 Ru1 H1 92.3 . .
P1 Ru1 H1 90.1 2_756 .
P1 Ru1 H1 90.1 . .
C14 P1 C20 104.02(13) . .
C14 P1 C8 101.94(13) . .
C20 P1 C8 97.14(12) . .
C14 P1 Ru1 108.31(9) . .
C20 P1 Ru1 119.12(10) . .
C8 P1 Ru1 123.61(9) . .
C1 N1 C2 111.6(3) . .
C1 N1 C4 125.3(2) . .
C2 N1 C4 123.1(3) . .
C1 N2 C3 112.1(2) . .
C1 N2 C7 123.0(2) . .
C3 N2 C7 124.9(2) . .
N1 C1 N2 103.2(2) . .
N1 C1 Ru1 134.2(2) . .
N2 C1 Ru1 122.6(2) . .
C3 C2 N1 106.5(3) . .
C3 C2 C5 130.3(3) . .
N1 C2 C5 123.1(4) . .
C2 C3 N2 106.6(3) . .
C2 C3 C6 131.3(3) . .
N2 C3 C6 122.1(3) . .
N1 C4 H4A 109.5 . .
N1 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
N1 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C2 C5 H5A 109.5 . .
C2 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C2 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C3 C6 H6A 109.5 . .
C3 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C3 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
N2 C7 H7A 109.5 . .
N2 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
N2 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C9 C8 C13 118.4(2) . .
C9 C8 P1 119.3(2) . .
C13 C8 P1 122.0(2) . .
C8 C9 C10 121.0(3) . .
C8 C9 H9 119.5 . .
C10 C9 H9 119.5 . .
C11 C10 C9 119.9(3) . .
C11 C10 H10 120.1 . .
C9 C10 H10 120.1 . .
C12 C11 C10 120.3(3) . .
C12 C11 H11 119.8 . .
C10 C11 H11 119.8 . .
C11 C12 C13 119.6(3) . .
C11 C12 H12 120.2 . .
C13 C12 H12 120.2 . .
C8 C13 C12 120.7(3) . .
C8 C13 H13 119.6 . .
C12 C13 H13 119.6 . .
C15 C14 C19 118.9(3) . .
C15 C14 P1 119.2(2) . .
C19 C14 P1 121.4(2) . .
C14 C15 C16 119.9(3) . .
C14 C15 H15 120.0 . .
C16 C15 H15 120.0 . .
C17 C16 C15 120.4(3) . .
C17 C16 H16 119.8 . .
C15 C16 H16 119.8 . .
C18 C17 C16 119.9(3) . .
C18 C17 H17 120.1 . .
C16 C17 H17 120.1 . .
C17 C18 C19 120.8(3) . .
C17 C18 H18 119.6 . .
C19 C18 H18 119.6 . .
C18 C19 C14 120.1(3) . .
C18 C19 H19 119.9 . .
C14 C19 H19 119.9 . .
C21 C20 C25 118.6(3) . .
C21 C20 P1 120.7(2) . .
C25 C20 P1 120.5(2) . .
C22 C21 C20 120.3(3) . .
C22 C21 H21 119.9 . .
C20 C21 H21 119.9 . .
C21 C22 C23 120.0(3) . .
C21 C22 H22 120.0 . .
C23 C22 H22 120.0 . .
C24 C23 C22 119.6(3) . .
C24 C23 H23 120.2 . .
C22 C23 H23 120.2 . .
C25 C24 C23 121.6(3) . .
C25 C24 H24 119.2 . .
C23 C24 H24 119.2 . .
C24 C25 C20 120.0(3) . .
C24 C25 H25 120.0 . .
C20 C25 H25 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C1 2.084(2) 2_756
Ru1 C1 2.084(2) .
Ru1 P1 2.3356(5) 2_756
Ru1 P1 2.3356(5) .
Ru1 H1 1.4509 .
P1 C14 1.841(3) .
P1 C20 1.846(3) .
P1 C8 1.855(3) .
N1 C1 1.358(4) .
N1 C2 1.406(4) .
N1 C4 1.455(4) .
N2 C1 1.366(4) .
N2 C3 1.389(3) .
N2 C7 1.455(4) .
C2 C3 1.337(6) .
C2 C5 1.491(5) .
C3 C6 1.498(4) .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 C9 1.388(4) .
C8 C13 1.393(4) .
C9 C10 1.394(4) .
C9 H9 0.9500 .
C10 C11 1.380(5) .
C10 H10 0.9500 .
C11 C12 1.379(5) .
C11 H11 0.9500 .
C12 C13 1.403(4) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 C15 1.390(4) .
C14 C19 1.396(4) .
C15 C16 1.407(5) .
C15 H15 0.9500 .
C16 C17 1.377(5) .
C16 H16 0.9500 .
C17 C18 1.365(5) .
C17 H17 0.9500 .
C18 C19 1.396(4) .
C18 H18 0.9500 .
C19 H19 0.9500 .
C20 C21 1.393(4) .
C20 C25 1.426(4) .
C21 C22 1.393(4) .
C21 H21 0.9500 .
C22 C23 1.398(5) .
C22 H22 0.9500 .
C23 C24 1.375(5) .
C23 H23 0.9500 .
C24 C25 1.361(4) .
C24 H24 0.9500 .
C25 H25 0.9500 .
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
C1 Ru1 P1 C14 42.84(14) 2_756
C1 Ru1 P1 C14 -132.47(14) .
P1 Ru1 P1 C14 -45.2(3) 2_756
C1 Ru1 P1 C20 -75.61(14) 2_756
C1 Ru1 P1 C20 109.08(13) .
P1 Ru1 P1 C20 -163.7(3) 2_756
C1 Ru1 P1 C8 161.62(14) 2_756
C1 Ru1 P1 C8 -13.68(14) .
P1 Ru1 P1 C8 73.6(3) 2_756
C2 N1 C1 N2 0.1(3) .
C4 N1 C1 N2 -178.8(3) .
C2 N1 C1 Ru1 -178.24(19) .
C4 N1 C1 Ru1 2.9(4) .
C3 N2 C1 N1 0.2(3) .
C7 N2 C1 N1 179.0(2) .
C3 N2 C1 Ru1 178.75(18) .
C7 N2 C1 Ru1 -2.5(3) .
C1 Ru1 C1 N1 168.6(2) 2_756
P1 Ru1 C1 N1 78.5(2) 2_756
P1 Ru1 C1 N1 -101.6(2) .
C1 Ru1 C1 N2 -9.47(18) 2_756
P1 Ru1 C1 N2 -99.52(19) 2_756
P1 Ru1 C1 N2 80.31(19) .
C1 N1 C2 C3 -0.3(3) .
C4 N1 C2 C3 178.6(3) .
C1 N1 C2 C5 178.1(3) .
C4 N1 C2 C5 -3.0(5) .
N1 C2 C3 N2 0.4(3) .
C5 C2 C3 N2 -177.8(3) .
N1 C2 C3 C6 179.0(3) .
C5 C2 C3 C6 0.8(6) .
C1 N2 C3 C2 -0.4(3) .
C7 N2 C3 C2 -179.1(3) .
C1 N2 C3 C6 -179.2(3) .
C7 N2 C3 C6 2.1(4) .
C14 P1 C8 C9 163.9(2) .
C20 P1 C8 C9 -90.1(2) .
Ru1 P1 C8 C9 42.2(3) .
C14 P1 C8 C13 -22.5(3) .
C20 P1 C8 C13 83.6(2) .
Ru1 P1 C8 C13 -144.20(19) .
C13 C8 C9 C10 -0.2(5) .
P1 C8 C9 C10 173.7(3) .
C8 C9 C10 C11 -0.4(6) .
C9 C10 C11 C12 1.2(6) .
C10 C11 C12 C13 -1.3(5) .
C9 C8 C13 C12 0.1(4) .
P1 C8 C13 C12 -173.6(2) .
C11 C12 C13 C8 0.7(4) .
C20 P1 C14 C15 -153.9(2) .
C8 P1 C14 C15 -53.4(2) .
Ru1 P1 C14 C15 78.4(2) .
C20 P1 C14 C19 34.7(3) .
C8 P1 C14 C19 135.3(2) .
Ru1 P1 C14 C19 -93.0(2) .
C19 C14 C15 C16 -0.9(4) .
P1 C14 C15 C16 -172.5(2) .
C14 C15 C16 C17 0.1(5) .
C15 C16 C17 C18 0.6(5) .
C16 C17 C18 C19 -0.5(5) .
C17 C18 C19 C14 -0.3(5) .
C15 C14 C19 C18 1.0(4) .
P1 C14 C19 C18 172.4(2) .
C14 P1 C20 C21 36.7(3) .
C8 P1 C20 C21 -67.5(2) .
Ru1 P1 C20 C21 157.39(19) .
C14 P1 C20 C25 -147.8(2) .
C8 P1 C20 C25 107.9(2) .
Ru1 P1 C20 C25 -27.2(3) .
C25 C20 C21 C22 0.7(4) .
P1 C20 C21 C22 176.2(2) .
C20 C21 C22 C23 -1.2(4) .
C21 C22 C23 C24 0.8(4) .
C22 C23 C24 C25 0.1(5) .
C23 C24 C25 C20 -0.5(4) .
C21 C20 C25 C24 0.1(4) .
P1 C20 C25 C24 -175.4(2) .
