#------------------------------------------------------------------------------
#$Date: 2016-03-22 10:27:54 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178871 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/00/4110050.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_4110050
loop_
_publ_author_name
'Laura Bini'
'Christian Müller'
'Jos Wilting'
'Lars von Chrzanowski'
'Anthony L. Spek'
'Dieter Vogt'
_publ_contact_author_address
;
Bijvoet Center for Biomolecular Research
Crystal and Structural Chemistry
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
;
_publ_contact_author_email       l.vonchrzanowski@chem.uu.nl
_publ_contact_author_fax         '[+31] 30 2533940'
_publ_contact_author_name        'Lars S. von Chrzanowski'
_publ_contact_author_phone       '[+31] 30 2533902'
_publ_section_title
;
 Highly Selective Hydrocyanation of Butadiene toward 3-Pentenenitrile
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12622
_journal_page_last               12623
_journal_paper_doi               10.1021/ja074922e
_journal_volume                  129
_journal_year                    2007
_chemical_formula_moiety         'C44 H32 Cl2 P2 Pt, 2(C H2 Cl2)'
_chemical_formula_sum            'C46 H36 Cl6 P2 Pt'
_chemical_formula_weight         1058.48
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           36
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.14097(18)
_cell_length_b                   16.8563(3)
_cell_length_c                   15.2270(4)
_cell_measurement_reflns_used    15463
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      1.75
_cell_volume                     4142.92(14)
_computing_cell_refinement       PEAKREF
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'EVALCCD (Duisenberg et al., 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-97 Altomare et al. (1999)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0231
_diffrn_reflns_av_sigmaI/netI    0.0343
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            18011
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    3.885
_exptl_absorpt_correction_T_max  0.5069
_exptl_absorpt_correction_T_min  0.2788
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2002)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.697
_exptl_crystal_description       block
_exptl_crystal_F_000             2088
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.18
_platon_squeeze_details
;
;
_refine_diff_density_max         1.128
_refine_diff_density_min         -4.118
_refine_diff_density_rms         0.102
_refine_ls_abs_structure_details
'Flack H D (1983), Acta Cryst. A39, 876-881, 1724 Friedel pairs'
_refine_ls_abs_structure_Flack   0.048(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     250
_refine_ls_number_reflns         3802
_refine_ls_number_restraints     103
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0272
_refine_ls_R_factor_gt           0.0268
_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)+(0.0408P)²+13.4692P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0700
_refine_ls_wR_factor_ref         0.0702
_reflns_number_gt                3734
_reflns_number_total             3802
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ja074922erom20070704_091428.cif
_cod_data_source_block           s3818a
_cod_original_cell_volume        4142.93(14)
_cod_database_code               4110050
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, 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'
'-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
Pt1 Pt 0.0000 0.339901(11) 0.35371(3) 0.01749(8) Uani 1 2 d S
Cl1 Cl -0.09551(9) 0.40870(8) 0.26745(9) 0.0316(3) Uani 1 1 d .
P1 P 0.11190(7) 0.28555(7) 0.41644(9) 0.0174(2) Uani 1 1 d .
C1 C 0.1193(3) 0.2218(3) 0.5157(3) 0.0188(10) Uani 1 1 d .
C2 C 0.1769(3) 0.2358(3) 0.5810(4) 0.0272(11) Uani 1 1 d U
H2 H 0.2125 0.2805 0.5773 0.033 Uiso 1 1 calc R
C3 C 0.1829(4) 0.1835(4) 0.6532(4) 0.0330(13) Uani 1 1 d U
H3 H 0.2253 0.1922 0.6953 0.040 Uiso 1 1 calc R
C4 C 0.1287(3) 0.1189(3) 0.6653(3) 0.0250(11) Uani 1 1 d U
H4 H 0.1327 0.0860 0.7158 0.030 Uiso 1 1 calc R
C5 C 0.0709(3) 0.1053(3) 0.6029(3) 0.0197(10) Uani 1 1 d .
C6 C 0.0688(3) 0.1544(3) 0.5265(3) 0.0169(10) Uani 1 1 d .
C7 C 0.0000 0.0462(4) 0.6090(5) 0.0189(14) Uani 1 2 d S
H7 H 0.0000 0.0147 0.6646 0.023 Uiso 1 2 calc SR
C8 C 0.0000 -0.0056(4) 0.5254(5) 0.0229(15) Uani 1 2 d S
C9 C 0.0000 -0.0918(4) 0.5213(6) 0.0292(17) Uani 1 2 d SU
H9 H 0.0000 -0.1225 0.5736 0.035 Uiso 1 2 calc SR
C10 C 0.0000 -0.1290(5) 0.4388(6) 0.039(2) Uani 1 2 d SU
H10 H 0.0000 -0.1852 0.4346 0.047 Uiso 1 2 calc SR
C11 C 0.0000 -0.0817(4) 0.3623(7) 0.0329(17) Uani 1 2 d SU
H11 H 0.0000 -0.1074 0.3068 0.039 Uiso 1 2 calc SR
C12 C 0.0000 0.0054(4) 0.3644(8) 0.0290(19) Uani 1 2 d SU
H12 H 0.0000 0.0362 0.3122 0.035 Uiso 1 2 calc SR
C13 C 0.0000 0.0410(4) 0.4494(5) 0.0188(14) Uani 1 2 d S
C14 C 0.0000 0.1337(4) 0.4669(4) 0.0154(13) Uani 1 2 d S
H14 H 0.0000 0.1657 0.4116 0.018 Uiso 1 2 calc SR
C15 C 0.1631(3) 0.2174(3) 0.3400(4) 0.0264(13) Uani 1 1 d .
C16 C 0.2338(5) 0.1775(5) 0.3640(8) 0.058(2) Uani 1 1 d U
H16 H 0.2596 0.1898 0.4184 0.069 Uiso 1 1 calc R
C17 C 0.2682(6) 0.1202(6) 0.3113(6) 0.066(2) Uani 1 1 d U
H17 H 0.3168 0.0938 0.3306 0.079 Uiso 1 1 calc R
C18 C 0.2347(5) 0.0998(5) 0.2318(5) 0.0548(19) Uani 1 1 d U
H18 H 0.2585 0.0591 0.1967 0.066 Uiso 1 1 calc R
C19 C 0.1673(5) 0.1393(4) 0.2055(5) 0.0429(15) Uani 1 1 d U
H19 H 0.1435 0.1279 0.1499 0.052 Uiso 1 1 calc R
C20 C 0.1315(4) 0.1972(3) 0.2590(4) 0.0308(12) Uani 1 1 d U
H20 H 0.0833 0.2238 0.2387 0.037 Uiso 1 1 calc R
C21 C 0.1747(3) 0.3716(3) 0.4471(4) 0.0260(11) Uani 1 1 d .
C22 C 0.2514(4) 0.3824(5) 0.4181(5) 0.0460(16) Uani 1 1 d U
H22 H 0.2772 0.3454 0.3798 0.055 Uiso 1 1 calc R
C23 C 0.2938(5) 0.4531(6) 0.4478(6) 0.066(2) Uani 1 1 d U
H23 H 0.3486 0.4617 0.4271 0.079 Uiso 1 1 calc R
C24 C 0.2607(5) 0.5083(5) 0.5034(5) 0.0563(19) Uani 1 1 d U
H24 H 0.2918 0.5536 0.5205 0.068 Uiso 1 1 calc R
C25 C 0.1847(5) 0.4975(4) 0.5329(5) 0.0451(16) Uani 1 1 d U
H25 H 0.1598 0.5344 0.5721 0.054 Uiso 1 1 calc R
C26 C 0.1413(4) 0.4293(3) 0.5044(4) 0.0359(14) Uani 1 1 d U
H26 H 0.0864 0.4217 0.5251 0.043 Uiso 1 1 calc R
Cl2 Cl 0.08669(12) 0.29992(12) 0.05065(13) 0.0529(4) Uani 1 1 d .
C27 C 0.0000 0.3603(6) 0.0594(8) 0.051(3) Uani 1 2 d S
H27A H 0.0000 0.3882 0.1166 0.061 Uiso 1 2 calc SR
H27B H 0.0000 0.4005 0.0120 0.061 Uiso 1 2 calc SR
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'
Pt Pt -1.7033 8.3905 '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
P1 Pt1 P1 107.54(6) 3 .
P1 Pt1 Cl1 84.87(5) 3 .
P1 Pt1 Cl1 167.47(5) . .
P1 Pt1 Cl1 167.47(5) 3 3
P1 Pt1 Cl1 84.87(5) . 3
Cl1 Pt1 Cl1 82.69(7) . 3
C21 P1 C15 114.2(3) . .
C21 P1 C1 102.5(2) . .
C15 P1 C1 97.2(2) . .
C21 P1 Pt1 103.34(18) . .
C15 P1 Pt1 110.46(19) . .
C1 P1 Pt1 129.42(16) . .
C2 C1 C6 116.3(5) . .
C2 C1 P1 122.0(4) . .
C6 C1 P1 121.6(4) . .
C1 C2 C3 120.0(5) . .
C1 C2 H2 120.0 . .
C3 C2 H2 120.0 . .
C4 C3 C2 122.8(5) . .
C4 C3 H3 118.6 . .
C2 C3 H3 118.6 . .
C5 C4 C3 117.9(5) . .
C5 C4 H4 121.0 . .
C3 C4 H4 121.0 . .
C4 C5 C6 119.4(5) . .
C4 C5 C7 126.1(5) . .
C6 C5 C7 114.3(5) . .
C1 C6 C5 123.3(5) . .
C1 C6 C14 123.6(5) . .
C5 C6 C14 112.5(5) . .
C5 C7 C5 97.7(5) 3 .
C5 C7 C8 108.7(4) 3 .
C5 C7 C8 108.7(4) . .
C5 C7 H7 113.5 3 .
C5 C7 H7 113.5 . .
C8 C7 H7 113.5 . .
C13 C8 C9 121.7(7) . .
C13 C8 C7 111.4(6) . .
C9 C8 C7 126.9(7) . .
C10 C9 C8 119.0(7) . .
C10 C9 H9 120.5 . .
C8 C9 H9 120.5 . .
C9 C10 C11 119.0(8) . .
C9 C10 H10 120.5 . .
C11 C10 H10 120.5 . .
C10 C11 C12 123.2(9) . .
C10 C11 H11 118.4 . .
C12 C11 H11 118.4 . .
C13 C12 C11 116.2(9) . .
C13 C12 H12 121.9 . .
C11 C12 H12 121.9 . .
C8 C13 C12 120.9(7) . .
C8 C13 C14 114.5(6) . .
C12 C13 C14 124.6(6) . .
C6 C14 C6 97.5(5) 3 .
C6 C14 C13 109.6(4) 3 .
C6 C14 C13 109.6(4) . .
C6 C14 H14 113.0 3 .
C6 C14 H14 113.0 . .
C13 C14 H14 113.0 . .
C16 C15 C20 115.1(6) . .
C16 C15 P1 120.9(6) . .
C20 C15 P1 123.8(4) . .
C17 C16 C15 121.6(10) . .
C17 C16 H16 119.2 . .
C15 C16 H16 119.2 . .
C18 C17 C16 122.3(8) . .
C18 C17 H17 118.8 . .
C16 C17 H17 118.8 . .
C19 C18 C17 117.4(7) . .
C19 C18 H18 121.3 . .
C17 C18 H18 121.3 . .
C18 C19 C20 120.7(7) . .
C18 C19 H19 119.7 . .
C20 C19 H19 119.7 . .
C15 C20 C19 122.8(6) . .
C15 C20 H20 118.6 . .
C19 C20 H20 118.6 . .
C22 C21 C26 117.8(6) . .
C22 C21 P1 122.7(5) . .
C26 C21 P1 119.5(4) . .
C21 C22 C23 116.8(8) . .
C21 C22 H22 121.6 . .
C23 C22 H22 121.6 . .
C24 C23 C22 124.6(8) . .
C24 C23 H23 117.7 . .
C22 C23 H23 117.7 . .
C25 C24 C23 118.7(7) . .
C25 C24 H24 120.6 . .
C23 C24 H24 120.6 . .
C24 C25 C26 117.9(7) . .
C24 C25 H25 121.1 . .
C26 C25 H25 121.1 . .
C21 C26 C25 124.1(6) . .
C21 C26 H26 117.9 . .
C25 C26 H26 117.9 . .
Cl2 C27 Cl2 107.4(6) 3 .
Cl2 C27 H27A 110.2 3 .
Cl2 C27 H27A 110.2 . .
Cl2 C27 H27B 110.2 3 .
Cl2 C27 H27B 110.2 . .
H27A C27 H27B 108.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 P1 2.2391(12) 3
Pt1 P1 2.2392(12) .
Pt1 Cl1 2.3339(13) .
Pt1 Cl1 2.3339(13) 3
P1 C21 1.830(5) .
P1 C15 1.832(5) .
P1 C1 1.858(5) .
C1 C2 1.381(7) .
C1 C6 1.409(7) .
C2 C3 1.412(8) .
C2 H2 0.9500 .
C3 C4 1.408(8) .
C3 H3 0.9500 .
C4 C5 1.351(7) .
C4 H4 0.9500 .
C5 C6 1.428(7) .
C5 C7 1.520(7) .
C6 C14 1.476(7) .
C7 C5 1.520(7) 3
C7 C8 1.543(10) .
C7 H7 1.0000 .
C8 C13 1.400(11) .
C8 C9 1.454(10) .
C9 C10 1.403(12) .
C9 H9 0.9500 .
C10 C11 1.413(14) .
C10 H10 0.9500 .
C11 C12 1.467(10) .
C11 H11 0.9500 .
C12 C13 1.427(14) .
C12 H12 0.9500 .
C13 C14 1.584(9) .
C14 C6 1.476(7) 3
C14 H14 1.0000 .
C15 C16 1.375(9) .
C15 C20 1.378(8) .
C16 C17 1.372(12) .
C16 H16 0.9500 .
C17 C18 1.369(13) .
C17 H17 0.9500 .
C18 C19 1.339(11) .
C18 H18 0.9500 .
C19 C20 1.396(9) .
C19 H19 0.9500 .
C20 H20 0.9500 .
C21 C22 1.327(9) .
C21 C26 1.412(8) .
C22 C23 1.446(11) .
C22 H22 0.9500 .
C23 C24 1.369(13) .
C23 H23 0.9500 .
C24 C25 1.319(11) .
C24 H24 0.9500 .
C25 C26 1.415(9) .
C25 H25 0.9500 .
C26 H26 0.9500 .
Cl2 C27 1.736(6) .
C27 Cl2 1.736(6) 3
C27 H27A 0.9900 .
C27 H27B 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_4
P1 Pt1 P1 C21 -129.71(19) 3 .
Cl1 Pt1 P1 C21 58.5(3) . .
Cl1 Pt1 P1 C21 52.1(2) 3 .
P1 Pt1 P1 C15 107.77(18) 3 .
Cl1 Pt1 P1 C15 -64.0(3) . .
Cl1 Pt1 P1 C15 -70.45(18) 3 .
P1 Pt1 P1 C1 -10.9(2) 3 .
Cl1 Pt1 P1 C1 177.3(3) . .
Cl1 Pt1 P1 C1 170.9(2) 3 .
C21 P1 C1 C2 -13.5(5) . .
C15 P1 C1 C2 103.3(5) . .
Pt1 P1 C1 C2 -132.7(4) . .
C21 P1 C1 C6 169.5(4) . .
C15 P1 C1 C6 -73.7(4) . .
Pt1 P1 C1 C6 50.3(5) . .
C6 C1 C2 C3 0.3(8) . .
P1 C1 C2 C3 -176.9(4) . .
C1 C2 C3 C4 -4.0(9) . .
C2 C3 C4 C5 2.7(9) . .
C3 C4 C5 C6 2.2(8) . .
C3 C4 C5 C7 -171.4(5) . .
C2 C1 C6 C5 4.7(7) . .
P1 C1 C6 C5 -178.1(4) . .
C2 C1 C6 C14 175.3(5) . .
P1 C1 C6 C14 -7.5(7) . .
C4 C5 C6 C1 -6.1(7) . .
C7 C5 C6 C1 168.3(5) . .
C4 C5 C6 C14 -177.7(5) . .
C7 C5 C6 C14 -3.3(6) . .
C4 C5 C7 C5 117.7(5) . 3
C6 C5 C7 C5 -56.2(6) . 3
C4 C5 C7 C8 -129.5(6) . .
C6 C5 C7 C8 56.6(5) . .
C5 C7 C8 C13 52.6(4) 3 .
C5 C7 C8 C13 -52.6(4) . .
C5 C7 C8 C9 -127.4(4) 3 .
C5 C7 C8 C9 127.4(4) . .
C13 C8 C9 C10 0.000(1) . .
C7 C8 C9 C10 180.000(1) . .
C8 C9 C10 C11 0.000(1) . .
C9 C10 C11 C12 0.000(1) . .
C10 C11 C12 C13 0.000(1) . .
C9 C8 C13 C12 0.000(1) . .
C7 C8 C13 C12 180.000(1) . .
C9 C8 C13 C14 180.000(1) . .
C7 C8 C13 C14 0.000(1) . .
C11 C12 C13 C8 0.000(1) . .
C11 C12 C13 C14 180.000(1) . .
C1 C6 C14 C6 -107.2(5) . 3
C5 C6 C14 C6 64.3(5) . 3
C1 C6 C14 C13 138.8(5) . .
C5 C6 C14 C13 -49.7(5) . .
C8 C13 C14 C6 -53.0(4) . 3
C12 C13 C14 C6 127.0(4) . 3
C8 C13 C14 C6 53.0(4) . .
C12 C13 C14 C6 -127.0(4) . .
C21 P1 C15 C16 63.5(6) . .
C1 P1 C15 C16 -43.6(6) . .
Pt1 P1 C15 C16 179.4(5) . .
C21 P1 C15 C20 -122.0(5) . .
C1 P1 C15 C20 130.9(5) . .
Pt1 P1 C15 C20 -6.0(5) . .
C20 C15 C16 C17 -1.8(12) . .
P1 C15 C16 C17 173.2(8) . .
C15 C16 C17 C18 0.5(15) . .
C16 C17 C18 C19 1.5(14) . .
C17 C18 C19 C20 -2.0(12) . .
C16 C15 C20 C19 1.3(9) . .
P1 C15 C20 C19 -173.5(5) . .
C18 C19 C20 C15 0.7(10) . .
C15 P1 C21 C22 -1.7(6) . .
C1 P1 C21 C22 102.1(6) . .
Pt1 P1 C21 C22 -121.7(5) . .
C15 P1 C21 C26 178.8(4) . .
C1 P1 C21 C26 -77.3(5) . .
Pt1 P1 C21 C26 58.8(5) . .
C26 C21 C22 C23 -0.5(10) . .
P1 C21 C22 C23 -179.9(6) . .
C21 C22 C23 C24 0.6(13) . .
C22 C23 C24 C25 0.0(14) . .
C23 C24 C25 C26 -0.6(11) . .
C22 C21 C26 C25 -0.1(9) . .
P1 C21 C26 C25 179.3(5) . .
C24 C25 C26 C21 0.7(10) . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.500 0.159 0.257 116.9 45.7
2 0.000 0.659 0.257 116.9 45.7
3 0.000 0.341 0.757 116.9 41.4
4 0.500 0.841 0.757 116.9 41.4
