#------------------------------------------------------------------------------
#$Date: 2018-09-26 05:29:44 +0200 (Wed 26 de Sep de 2018) $
#$Revision: 211175 $
#$URL: svn://www.crystallography.net/cod/cif/8/00/00/8000087.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_8000087
loop_
_publ_author_name
'Hirotsu, Masakazu'
'Taruno, Shinsuke'
'Yoshimura, Takashi'
'Ueno, Keiji'
'Unno, Masafumi'
'Matsumoto, Hideyuki'
_publ_section_title
;
 Synthesis and Structures of the First Titanium(IV) Complexes with Cyclic
 Tetrasiloxide Ligands: Incomplete and Complete Cage Titanosiloxanes
;
_journal_issue                   11
_journal_name_full               'Chemistry Letters'
_journal_page_first              1542
_journal_paper_doi               10.1246/cl.2005.1542
_journal_volume                  34
_journal_year                    2005
_chemical_formula_sum            'C27 H37 Cl2 O8 Si4 Ti2'
_chemical_formula_weight         768.63
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                115.471(10)
_cell_angle_beta                 95.790(9)
_cell_angle_gamma                114.590(10)
_cell_formula_units_Z            2
_cell_length_a                   13.071(8)
_cell_length_b                   13.186(11)
_cell_length_c                   13.487(11)
_cell_measurement_temperature    293(2)
_cell_volume                     1794(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.926
_diffrn_measured_fraction_theta_max 0.926
_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  0.0155
_diffrn_reflns_av_sigmaI/netI    0.0239
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14918
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    0.770
_exptl_crystal_density_diffrn    1.423
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             794
_refine_diff_density_max         0.685
_refine_diff_density_min         -1.196
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.968
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     536
_refine_ls_number_reflns         7631
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.968
_refine_ls_R_factor_all          0.0451
_refine_ls_R_factor_gt           0.0437
_refine_ls_shift/su_max          0.093
_refine_ls_shift/su_mean         0.011
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0903P)²+3.0480P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1273
_refine_ls_wR_factor_ref         0.1311
_reflns_number_gt                7417
_reflns_number_total             7631
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            34-1542sup1.cif
_cod_data_source_block           2
_cod_database_code               8000087
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
Ti1 Ti 0.80352(3) 0.82399(4) 0.57876(3) 0.01013(11) Uani 1 1 d
Ti2 Ti 0.33925(3) 0.71354(4) 0.60945(3) 0.01051(11) Uani 1 1 d
Si1 Si 0.63559(5) 0.40095(6) 0.65751(5) 0.00945(13) Uani 1 1 d
Si2 Si 0.75237(5) 0.70359(5) 0.75438(5) 0.00914(13) Uani 1 1 d
Si3 Si 0.51201(5) 0.68973(6) 0.79478(5) 0.00962(13) Uani 1 1 d
Si4 Si 0.39413(5) 0.38637(5) 0.69633(5) 0.00902(13) Uani 1 1 d
Cl1 Cl 0.99271(5) 0.87301(6) 0.57882(6) 0.02445(15) Uani 1 1 d
Cl2 Cl 0.39994(6) 0.92795(6) 0.68575(6) 0.02349(15) Uani 1 1 d
O1 O 0.61662(14) 0.32626(15) 0.51867(14) 0.0140(3) Uani 1 1 d
O2 O 0.77566(14) 0.73088(15) 0.64977(14) 0.0137(3) Uani 1 1 d
O3 O 0.44728(14) 0.72038(16) 0.71116(14) 0.0158(3) Uani 1 1 d
O4 O 0.28601(14) 0.29936(16) 0.57206(14) 0.0140(3) Uani 1 1 d
O5 O 0.72269(14) 0.55702(15) 0.71346(14) 0.0142(3) Uani 1 1 d
O6 O 0.64149(14) 0.72032(17) 0.78212(15) 0.0168(3) Uani 1 1 d
O7 O 0.42983(15) 0.53727(15) 0.75282(15) 0.0162(3) Uani 1 1 d
O8 O 0.50644(14) 0.37049(16) 0.67168(15) 0.0158(3) Uani 1 1 d
C1 C 0.8890(2) 1.0527(2) 0.7053(2) 0.0239(5) Uani 1 1 d
C2 C 0.8314(3) 1.0196(3) 0.5933(3) 0.0257(6) Uani 1 1 d
C3 C 0.7088(3) 0.9367(3) 0.5638(2) 0.0267(6) Uani 1 1 d
C4 C 0.6915(2) 0.9170(3) 0.6560(3) 0.0254(6) Uani 1 1 d
C5 C 0.8030(3) 0.9905(3) 0.7446(2) 0.0238(5) Uani 1 1 d
C6 C 0.1682(3) 0.5073(3) 0.5217(3) 0.0321(7) Uani 1 1 d
C7 C 0.1905(2) 0.5644(3) 0.6415(3) 0.0286(6) Uani 1 1 d
C8 C 0.1769(2) 0.6729(3) 0.6797(3) 0.0301(7) Uani 1 1 d
C9 C 0.1432(3) 0.6806(3) 0.5824(4) 0.0361(8) Uani 1 1 d
C10 C 0.1374(2) 0.5775(4) 0.4845(3) 0.0351(7) Uani 1 1 d
C11 C 0.7028(2) 0.3452(2) 0.7350(2) 0.0174(5) Uani 1 1 d
C12 C 0.6950(3) 0.3944(3) 0.8580(2) 0.0281(6) Uani 1 1 d
C13 C 0.6460(4) 0.1962(3) 0.6672(3) 0.0385(8) Uani 1 1 d
C21 C 0.88998(19) 0.8216(2) 0.8856(2) 0.0151(4) Uani 1 1 d
C22 C 0.9988(2) 0.8158(3) 0.8570(3) 0.0283(6) Uani 1 1 d
C23 C 0.8751(3) 0.8013(3) 0.9881(2) 0.0284(6) Uani 1 1 d
C31 C 0.5335(2) 0.7940(2) 0.9497(2) 0.0175(5) Uani 1 1 d
C32 C 0.4154(3) 0.7742(3) 0.9703(2) 0.0271(6) Uani 1 1 d
C33 C 0.6208(3) 0.9390(3) 0.9944(3) 0.0340(7) Uani 1 1 d
C41 C 0.3417(2) 0.3313(2) 0.7966(2) 0.0161(4) Uani 1 1 d
C42 C 0.3136(3) 0.1917(3) 0.7554(3) 0.0270(6) Uani 1 1 d
C43 C 0.2319(3) 0.3444(3) 0.8132(3) 0.0313(6) Uani 1 1 d
C51 C 0.0351(3) 0.6123(3) 0.0674(4) 0.0380(8) Uani 1 1 d
C52 C -0.0092(9) 0.5766(14) 0.1401(8) 0.215(9) Uani 1 1 d
C53 C -0.0632(4) 0.4468(6) 0.1216(5) 0.0616(12) Uani 1 1 d
C54 C 0.0778(6) 0.6520(8) -0.0011(9) 0.111(3) Uani 1 1 d
C55 C -0.0167(5) 0.4894(7) 0.0505(6) 0.0847(18) Uani 1 1 d
H1 H 0.967(4) 1.104(4) 0.740(3) 0.038(10) Uiso 1 1 d
H2 H 0.870(4) 1.038(4) 0.547(4) 0.045(11) Uiso 1 1 d
H3 H 0.657(4) 0.905(4) 0.504(4) 0.052(13) Uiso 1 1 d
H4 H 0.614(4) 0.859(4) 0.654(4) 0.047(11) Uiso 1 1 d
H5 H 0.817(3) 0.991(4) 0.819(3) 0.034(9) Uiso 1 1 d
H6 H 0.173(4) 0.436(5) 0.473(4) 0.052(12) Uiso 1 1 d
H7 H 0.225(4) 0.547(4) 0.699(4) 0.045(11) Uiso 1 1 d
H8 H 0.193(4) 0.737(5) 0.756(4) 0.053(12) Uiso 1 1 d
H10 H 0.119(4) 0.566(4) 0.407(4) 0.040(10) Uiso 1 1 d
H11 H 0.785(3) 0.382(4) 0.741(3) 0.031(9) Uiso 1 1 d
H12A H 0.732(4) 0.366(4) 0.903(4) 0.047(12) Uiso 1 1 d
H12B H 0.607(4) 0.345(4) 0.852(4) 0.045(11) Uiso 1 1 d
H12C H 0.730(4) 0.488(4) 0.902(4) 0.047(12) Uiso 1 1 d
H13A H 0.683(4) 0.163(5) 0.707(4) 0.063(14) Uiso 1 1 d
H13B H 0.870(4) 0.265(5) 0.422(4) 0.058(14) Uiso 1 1 d
H13C H 0.560(5) 0.157(5) 0.657(4) 0.064(14) Uiso 1 1 d
H21 H 0.904(3) 0.908(3) 0.915(3) 0.018(7) Uiso 1 1 d
H22A H 1.069(3) 0.878(4) 0.926(3) 0.035(10) Uiso 1 1 d
H22B H 0.984(3) 0.732(4) 0.828(3) 0.035(10) Uiso 1 1 d
H22C H 1.012(3) 0.833(4) 0.800(3) 0.031(9) Uiso 1 1 d
H23A H 0.874(3) 0.713(4) 0.968(3) 0.036(10) Uiso 1 1 d
H23B H 0.939(3) 0.865(4) 1.056(3) 0.032(9) Uiso 1 1 d
H23C H 0.807(4) 0.812(4) 1.008(4) 0.054(13) Uiso 1 1 d
H31 H 0.570(3) 0.761(4) 0.990(3) 0.032(9) Uiso 1 1 d
H32A H 0.425(3) 0.832(4) 1.051(3) 0.035(10) Uiso 1 1 d
H32B H 0.373(3) 0.802(3) 0.929(3) 0.027(9) Uiso 1 1 d
H32C H 0.360(3) 0.682(4) 0.944(3) 0.030(9) Uiso 1 1 d
H33A H 0.634(4) 0.989(4) 1.075(4) 0.048(12) Uiso 1 1 d
H33B H 0.698(4) 0.945(4) 0.984(4) 0.055(13) Uiso 1 1 d
H33C H 0.590(4) 0.968(4) 0.950(4) 0.045(12) Uiso 1 1 d
H41 H 0.413(3) 0.406(3) 0.891(3) 0.017(7) Uiso 1 1 d
H42A H 0.391(4) 0.184(4) 0.746(4) 0.042(11) Uiso 1 1 d
H42B H 0.282(4) 0.166(4) 0.814(4) 0.054(13) Uiso 1 1 d
H42C H 0.233(5) 0.126(5) 0.674(5) 0.066(15) Uiso 1 1 d
H43A H 0.161(4) 0.277(4) 0.726(4) 0.047(12) Uiso 1 1 d
H43B H 0.252(4) 0.447(4) 0.858(4) 0.049(12) Uiso 1 1 d
H43C H 0.203(4) 0.318(4) 0.868(4) 0.041(10) 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'
Ti Ti 0.2776 0.4457 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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'
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
O4 Ti1 O2 103.05(10) 2_666 .
O4 Ti1 Cl1 102.44(6) 2_666 .
O2 Ti1 Cl1 101.71(6) . .
O4 Ti1 C4 106.19(11) 2_666 .
O2 Ti1 C4 94.25(10) . .
Cl1 Ti1 C4 142.97(8) . .
O4 Ti1 C3 87.18(10) 2_666 .
O2 Ti1 C3 127.42(11) . .
Cl1 Ti1 C3 126.56(9) . .
C4 Ti1 C3 34.71(11) . .
O4 Ti1 C2 103.94(11) 2_666 .
O2 Ti1 C2 145.49(9) . .
Cl1 Ti1 C2 93.04(8) . .
C4 Ti1 C2 57.66(10) . .
C3 Ti1 C2 34.57(11) . .
O4 Ti1 C5 140.67(10) 2_666 .
O2 Ti1 C5 88.16(11) . .
Cl1 Ti1 C5 112.10(8) . .
C4 Ti1 C5 34.71(11) . .
C3 Ti1 C5 57.45(11) . .
C2 Ti1 C5 57.34(11) . .
O4 Ti1 C1 138.38(9) 2_666 .
O2 Ti1 C1 115.29(11) . .
Cl1 Ti1 C1 85.66(7) . .
C4 Ti1 C1 57.31(10) . .
C3 Ti1 C1 57.19(11) . .
C2 Ti1 C1 34.45(11) . .
C5 Ti1 C1 34.19(10) . .
O1 Ti2 O3 103.67(9) 2_666 .
O1 Ti2 Cl2 102.65(6) 2_666 .
O3 Ti2 Cl2 102.20(7) . .
O1 Ti2 C6 93.55(10) 2_666 .
O3 Ti2 C6 106.76(12) . .
Cl2 Ti2 C6 142.26(9) . .
O1 Ti2 C7 126.22(10) 2_666 .
O3 Ti2 C7 86.64(11) . .
Cl2 Ti2 C7 126.88(9) . .
C6 Ti2 C7 34.58(12) . .
O1 Ti2 C10 88.52(11) 2_666 .
O3 Ti2 C10 140.82(11) . .
Cl2 Ti2 C10 111.33(10) . .
C6 Ti2 C10 34.50(13) . .
C7 Ti2 C10 57.27(12) . .
O1 Ti2 C8 145.60(9) 2_666 .
O3 Ti2 C8 102.31(11) . .
Cl2 Ti2 C8 93.42(8) . .
C6 Ti2 C8 57.30(11) . .
C7 Ti2 C8 34.34(11) . .
C10 Ti2 C8 57.19(12) . .
O1 Ti2 C9 116.36(12) 2_666 .
O3 Ti2 C9 136.70(12) . .
Cl2 Ti2 C9 85.16(8) . .
C6 Ti2 C9 57.14(12) . .
C7 Ti2 C9 57.07(11) . .
C10 Ti2 C9 34.26(13) . .
C8 Ti2 C9 34.39(13) . .
O8 Si1 O5 110.04(9) . .
O8 Si1 O1 108.45(9) . .
O5 Si1 O1 108.32(9) . .
O8 Si1 C11 108.66(11) . .
O5 Si1 C11 109.45(12) . .
O1 Si1 C11 111.91(11) . .
O6 Si2 O5 110.34(9) . .
O6 Si2 O2 108.76(9) . .
O5 Si2 O2 109.06(9) . .
O6 Si2 C21 110.69(11) . .
O5 Si2 C21 108.96(10) . .
O2 Si2 C21 109.00(11) . .
O6 Si3 O7 110.34(9) . .
O6 Si3 O3 108.14(10) . .
O7 Si3 O3 108.65(11) . .
O6 Si3 C31 108.67(10) . .
O7 Si3 C31 109.80(11) . .
O3 Si3 C31 111.24(12) . .
O8 Si4 O7 110.29(9) . .
O8 Si4 O4 108.07(10) . .
O7 Si4 O4 108.40(10) . .
O8 Si4 C41 112.06(11) . .
O7 Si4 C41 108.61(11) . .
O4 Si4 C41 109.35(11) . .
Si1 O1 Ti2 156.61(11) . 2_666
Si2 O2 Ti1 155.19(11) . .
Si3 O3 Ti2 164.12(11) . .
Si4 O4 Ti1 160.00(11) . 2_666
Si2 O5 Si1 155.06(12) . .
Si2 O6 Si3 162.36(12) . .
Si4 O7 Si3 156.73(12) . .
Si4 O8 Si1 162.22(12) . .
C5 C1 C2 108.6(3) . .
C5 C1 Ti1 72.71(15) . .
C2 C1 Ti1 72.39(15) . .
C1 C2 C3 107.5(2) . .
C1 C2 Ti1 73.16(15) . .
C3 C2 Ti1 72.16(15) . .
C4 C3 C2 108.1(2) . .
C4 C3 Ti1 71.94(15) . .
C2 C3 Ti1 73.27(17) . .
C3 C4 C5 108.2(2) . .
C3 C4 Ti1 73.34(16) . .
C5 C4 Ti1 74.09(16) . .
C1 C5 C4 107.6(3) . .
C1 C5 Ti1 73.10(16) . .
C4 C5 Ti1 71.20(15) . .
C7 C6 C10 108.6(3) . .
C7 C6 Ti2 73.76(16) . .
C10 C6 Ti2 74.01(18) . .
C8 C7 C6 107.7(3) . .
C8 C7 Ti2 73.08(17) . .
C6 C7 Ti2 71.67(16) . .
C7 C8 C9 108.0(3) . .
C7 C8 Ti2 72.58(15) . .
C9 C8 Ti2 73.25(16) . .
C10 C9 C8 108.0(3) . .
C10 C9 Ti2 72.38(16) . .
C8 C9 Ti2 72.35(16) . .
C9 C10 C6 107.7(3) . .
C9 C10 Ti2 73.35(17) . .
C6 C10 Ti2 71.49(17) . .
C12 C11 C13 110.6(2) . .
C12 C11 Si1 110.58(19) . .
C13 C11 Si1 112.4(2) . .
C23 C21 C22 111.0(2) . .
C23 C21 Si2 112.07(18) . .
C22 C21 Si2 111.14(18) . .
C32 C31 C33 110.9(2) . .
C32 C31 Si3 112.64(18) . .
C33 C31 Si3 110.52(18) . .
C42 C41 C43 110.9(2) . .
C42 C41 Si4 112.97(17) . .
C43 C41 Si4 109.53(18) . .
C54 C51 C52 177.3(7) . .
C54 C51 C55 129.2(6) . .
C52 C51 C55 53.3(5) . .
C54 C51 C55 62.8(5) . 2_565
C52 C51 C55 119.6(6) . 2_565
C55 C51 C55 66.7(5) . 2_565
C55 C52 C51 64.5(7) . .
C55 C52 C53 61.8(7) . .
C51 C52 C53 126.3(6) . .
C55 C53 C52 51.0(5) . .
C55 C53 C54 60.6(5) . 2_565
C52 C53 C54 111.4(7) . 2_565
C51 C54 C55 64.4(5) . 2_565
C51 C54 C53 119.6(6) . 2_565
C55 C54 C53 55.2(4) 2_565 2_565
C52 C55 C51 62.2(10) . .
C52 C55 C53 67.2(10) . .
C51 C55 C53 129.4(6) . .
C52 C55 C54 131.0(11) . 2_565
C51 C55 C54 165.4(7) . 2_565
C53 C55 C54 64.2(5) . 2_565
C52 C55 C51 172.1(9) . 2_565
C51 C55 C51 113.3(5) . 2_565
C53 C55 C51 117.0(6) . 2_565
C54 C55 C51 52.8(5) 2_565 2_565
C52 C55 C55 122.0(13) . 2_565
C51 C55 C55 60.2(5) . 2_565
C53 C55 C55 168.8(9) . 2_565
C54 C55 C55 105.8(8) 2_565 2_565
C51 C55 C55 53.1(5) 2_565 2_565
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ti1 O4 1.801(2) 2_666
Ti1 O2 1.807(2) .
Ti1 Cl1 2.2807(17) .
Ti1 C4 2.332(3) .
Ti1 C3 2.350(3) .
Ti1 C2 2.365(3) .
Ti1 C5 2.369(3) .
Ti1 C1 2.374(3) .
Ti2 O1 1.808(2) 2_666
Ti2 O3 1.811(2) .
Ti2 Cl2 2.269(2) .
Ti2 C6 2.330(3) .
Ti2 C7 2.357(3) .
Ti2 C10 2.362(3) .
Ti2 C8 2.363(3) .
Ti2 C9 2.375(3) .
Si1 O8 1.617(2) .
Si1 O5 1.625(2) .
Si1 O1 1.629(2) .
Si1 C11 1.848(3) .
Si2 O6 1.6104(19) .
Si2 O5 1.614(2) .
Si2 O2 1.626(2) .
Si2 C21 1.857(3) .
Si3 O6 1.614(2) .
Si3 O7 1.618(2) .
Si3 O3 1.623(2) .
Si3 C31 1.851(3) .
Si4 O8 1.6137(19) .
Si4 O7 1.615(2) .
Si4 O4 1.6253(19) .
Si4 C41 1.855(3) .
O1 Ti2 1.808(2) 2_666
O4 Ti1 1.801(2) 2_666
C1 C5 1.394(4) .
C1 C2 1.403(4) .
C2 C3 1.401(4) .
C3 C4 1.397(5) .
C4 C5 1.403(4) .
C6 C7 1.393(5) .
C6 C10 1.392(5) .
C7 C8 1.393(5) .
C8 C9 1.401(5) .
C9 C10 1.395(5) .
C11 C12 1.532(4) .
C11 C13 1.534(4) .
C21 C23 1.533(4) .
C21 C22 1.534(4) .
C31 C32 1.531(4) .
C31 C33 1.541(4) .
C41 C42 1.532(4) .
C41 C43 1.542(4) .
C51 C54 1.311(10) .
C51 C52 1.342(18) .
C51 C55 1.369(8) .
C51 C55 1.485(8) 2_565
C52 C55 1.216(9) .
C52 C53 1.443(18) .
C53 C55 1.379(8) .
C53 C54 1.512(11) 2_565
C54 C55 1.464(10) 2_565
C54 C53 1.512(11) 2_565
C55 C54 1.464(10) 2_565
C55 C51 1.485(8) 2_565
C55 C55 1.572(13) 2_565
