#------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/59/2005903.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2005903
loop_
_publ_author_name
'Jin, H.-Y.'
'Akiba, M.'
'Umakoshi, K.'
'Sasaki, Y.'
'Kabuto, K.'
_publ_contact_author
;
Dr Keisuke Umakoshi
Division of Chemistry
Graduate School of Science
Hokkaido University
Kita-ku
Sapporo 060
Japan
;
_publ_section_title
;Dichloro[N,N,N',N'-tetrakis(2-pyridylmethyl)ethylenediamine]samarium(III)
 Perchlorate
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              60
_journal_page_last               63
_journal_paper_doi               10.1107/S0108270196009924
_journal_volume                  53
_journal_year                    1997
_chemical_formula_iupac          '[Sm Cl2 (C26 H28 N6)],Cl O4'
_chemical_formula_sum            'C26 H28 Cl3 N6 O4 Sm'
_chemical_formula_weight         745.27
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 104.89(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.804(2)
_cell_length_b                   15.112(2)
_cell_length_c                   12.684(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.0
_cell_measurement_theta_max      14.80
_cell_measurement_theta_min      12.54
_cell_volume                     2927.6(7)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
; MSC/AFC Diffractometer Control Software (Molecular Structure
Corporation, 1993)
;
_computing_data_reduction        'TEXSAN: PROCESS (MSC, 1992)'
_computing_publication_material  'TEXSAN: FINISH (MSC)'
_computing_structure_refinement  'TEXSAN: LS (MSC)'
_computing_structure_solution    'DIRDIF92 (PATTY; Beurskins et al, 1992)'
_diffrn_ambient_temperature      23.0
_diffrn_measurement_device       AFC5R
_diffrn_measurement_method       'ω/2θ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.022
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            9196
_diffrn_reflns_theta_max         30
_diffrn_reflns_theta_min         2.5
_diffrn_standards_decay_%        -0.22
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.33
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.487
_exptl_absorpt_correction_type   '\y scans(North,Phillips & Mathews,1968)'
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.691
_exptl_crystal_description       plate
_exptl_crystal_F_000             1484.00
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.34
_refine_diff_density_min         -1.14
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   2.248
_refine_ls_hydrogen_treatment    'H atoms: not located'
_refine_ls_matrix_type           full
_refine_ls_number_constraints    5
_refine_ls_number_parameters     359
_refine_ls_number_reflns         4915
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.049
_refine_ls_shift/esd_max         0.828
_refine_ls_shift/esd_mean        0.026
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/σ²(F)
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.043
_reflns_number_observed          4915
_reflns_number_total             8838
_reflns_observed_criterion       >3sigma(I)
_cod_data_source_file            ta1110.cif
_cod_data_source_block           SmCl2(tpen)(ClO4)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w=1/\s^2^(F)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w=1/\s^2^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2927.5(7)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               2005903
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
'1/2-x,1/2+y,   -z'
'   -x,   -y,   -z'
'1/2+x,1/2-y,   +z'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
Sm 1.00 0.23345(3) 0.21658(2) 0.04975(4) 0.03175(9) Uani d
Cl(1) 1.00 0.1087(1) 0.3340(1) 0.0467(2) 0.0483(7) Uani d
Cl(2) 1.00 0.3578(2) 0.3354(2) 0.0451(2) 0.0611(8) Uani d
Cl(3) 1.00 0.6160(2) 0.0024(2) 0.3725(2) 0.0599(8) Uani d
O(1) 0.63(1) 0.6069(7) 0.0988(7) 0.3530(10) 0.073(4) Uiso d
O(2) 0.63(1) 0.5562(8) -0.0398(8) 0.289(1) 0.084(4) Uiso d
O(3) 0.63(1) 0.5940(8) -0.0080(9) 0.477(1) 0.097(5) Uiso d
O(4) 1.00 0.7057(4) -0.0206(5) 0.3839(5) 0.081(3) Uani d
O(5) 0.37(1) 0.603(2) 0.049(2) 0.450(2) 0.13(1) Uiso d
O(6) 0.37(1) 0.588(1) 0.034(2) 0.256(2) 0.116(8) Uiso d
O(7) 0.37(1) 0.570(1) -0.080(2) 0.358(2) 0.110(8) Uiso d
N(1) 1.00 0.3049(4) 0.1197(4) -0.0754(5) 0.037(2) Uani d
N(2) 1.00 0.3257(4) 0.0852(4) 0.1584(5) 0.040(2) Uani d
N(11) 1.00 0.1951(4) 0.2592(4) -0.1624(5) 0.041(2) Uani d
N(21) 1.00 0.1266(4) 0.1044(4) -0.0653(6) 0.042(2) Uani d
N(31) 1.00 0.1575(4) 0.1422(4) 0.1952(6) 0.045(2) Uani d
N(41) 1.00 0.3097(4) 0.2534(4) 0.2548(6) 0.044(2) Uani d
C(1) 1.00 0.3337(5) 0.1808(5) -0.1531(7) 0.046(3) Uani d
C(2) 1.00 0.2473(5) 0.0470(5) -0.1380(7) 0.046(3) Uani d
C(3) 1.00 0.2670(6) 0.0270(5) 0.2061(7) 0.050(3) Uani d
C(4) 1.00 0.3996(5) 0.1222(6) 0.2441(8) 0.063(3) Uani d
C(5) 1.00 0.3871(5) 0.0801(5) -0.0047(7) 0.046(3) Uani d
C(6) 1.00 0.3670(5) 0.0261(5) 0.0881(7) 0.047(3) Uani d
C(12) 1.00 0.2551(6) 0.2293(5) -0.2183(8) 0.054(3) Uani d
C(13) 1.00 0.2419(7) 0.2471(6) -0.3281(8) 0.064(3) Uani d
C(14) 1.00 0.1678(8) 0.2969(6) -0.3840(8) 0.075(4) Uani d
C(15) 1.00 0.1072(7) 0.3274(6) -0.3276(8) 0.064(3) Uani d
C(16) 1.00 0.1224(6) 0.3055(5) -0.2160(7) 0.052(3) Uani d
C(22) 1.00 0.1502(5) 0.0651(5) -0.1478(7) 0.043(3) Uani d
C(23) 1.00 0.0879(6) 0.0366(6) -0.2414(8) 0.064(3) Uani d
C(24) 1.00 -0.0013(7) 0.0492(7) -0.245(1) 0.090(4) Uani d
C(25) 1.00 -0.0251(7) 0.0883(7) -0.158(1) 0.081(4) Uani d
C(26) 1.00 0.0403(5) 0.1134(5) -0.0671(9) 0.059(3) Uani d
C(32) 1.00 0.2088(5) 0.0789(5) 0.2579(7) 0.041(2) Uani d
C(33) 1.00 0.2044(6) 0.0627(6) 0.3651(8) 0.052(3) Uani d
C(34) 1.00 0.1459(7) 0.1093(7) 0.4066(8) 0.066(4) Uani d
C(35) 1.00 0.0911(7) 0.1694(7) 0.3410(9) 0.071(4) Uani d
C(36) 1.00 0.0980(6) 0.1857(6) 0.2350(9) 0.065(4) Uani d
C(42) 1.00 0.3725(5) 0.1958(5) 0.3102(7) 0.047(3) Uani d
C(43) 1.00 0.4129(5) 0.2061(6) 0.4193(7) 0.053(3) Uani d
C(44) 1.00 0.3897(6) 0.2789(7) 0.4733(7) 0.060(3) Uani d
C(45) 1.00 0.3252(7) 0.3376(6) 0.4193(8) 0.064(3) Uani d
C(46) 1.00 0.2854(6) 0.3228(5) 0.3078(8) 0.053(3) Uani d
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C 0.003 0.002 'International Tables'
H 0.000 0.000 'International Tables'
O 0.011 0.006 'International Tables'
N 0.006 0.003 'International Tables'
Sm -0.164 3.442 'International Tables'
Cl 0.148 0.159 'International Tables'
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
2 0 0
0 2 0
0 0 2
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Cl(1) Sm Cl(2) 1_555 1_555 1_555 95.64(6) yes
Cl(1) Sm N(1) 1_555 1_555 1_555 143.30(10) yes
Cl(1) Sm N(2) 1_555 1_555 1_555 145.5(2) yes
Cl(1) Sm N(11) 1_555 1_555 1_555 81.30(10) yes
Cl(1) Sm N(21) 1_555 1_555 1_555 93.2(2) yes
Cl(1) Sm N(31) 1_555 1_555 1_555 80.1(2) yes
Cl(1) Sm N(41) 1_555 1_555 1_555 91.3(2) yes
Cl(2) Sm N(1) 1_555 1_555 1_555 85.90(10) yes
Cl(2) Sm N(2) 1_555 1_555 1_555 101.9(2) yes
Cl(2) Sm N(11) 1_555 1_555 1_555 78.10(10) yes
Cl(2) Sm N(21) 1_555 1_555 1_555 144.2(2) yes
Cl(2) Sm N(31) 1_555 1_555 1_555 139.0(2) yes
Cl(2) Sm N(41) 1_555 1_555 1_555 74.10(10) yes
N(1) Sm N(2) 1_555 1_555 1_555 68.2(2) yes
N(1) Sm N(11) 1_555 1_555 1_555 63.1(2) yes
N(1) Sm N(21) 1_555 1_555 1_555 67.0(2) yes
N(1) Sm N(31) 1_555 1_555 1_555 121.3(2) yes
N(1) Sm N(41) 1_555 1_555 1_555 123.9(2) yes
N(2) Sm N(11) 1_555 1_555 1_555 131.2(2) yes
N(2) Sm N(21) 1_555 1_555 1_555 89.7(2) yes
N(2) Sm N(31) 1_555 1_555 1_555 67.1(2) yes
N(2) Sm N(41) 1_555 1_555 1_555 65.8(2) yes
N(11) Sm N(21) 1_555 1_555 1_555 69.0(2) yes
N(11) Sm N(31) 1_555 1_555 1_555 139.7(2) yes
N(11) Sm N(41) 1_555 1_555 1_555 150.4(2) yes
N(21) Sm N(31) 1_555 1_555 1_555 76.7(2) yes
N(21) Sm N(41) 1_555 1_555 1_555 140.3(2) yes
N(31) Sm N(41) 1_555 1_555 1_555 65.3(2) yes
O(1) Cl(3) O(2) 1_555 1_555 1_555 107.9(7) no
O(1) Cl(3) O(3) 1_555 1_555 1_555 102.8(7) no
O(1) Cl(3) O(4) 1_555 1_555 1_555 107.9(5) no
O(1) Cl(3) O(5) 1_555 1_555 1_555 63.0(10) no
O(1) Cl(3) O(6) 1_555 1_555 1_555 62.3(9) no
O(1) Cl(3) O(7) 1_555 1_555 1_555 144.0(10) no
O(2) Cl(3) O(3) 1_555 1_555 1_555 111.9(8) no
O(2) Cl(3) O(4) 1_555 1_555 1_555 115.5(6) no
O(2) Cl(3) O(5) 1_555 1_555 1_555 129.0(10) no
O(2) Cl(3) O(6) 1_555 1_555 1_555 54.6(8) no
O(2) Cl(3) O(7) 1_555 1_555 1_555 43.6(9) no
O(3) Cl(3) O(4) 1_555 1_555 1_555 110.0(6) no
O(3) Cl(3) O(5) 1_555 1_555 1_555 40.0(10) no
O(3) Cl(3) O(6) 1_555 1_555 1_555 147.7(10) no
O(3) Cl(3) O(7) 1_555 1_555 1_555 78.0(10) no
O(4) Cl(3) O(5) 1_555 1_555 1_555 114.0(10) no
O(4) Cl(3) O(6) 1_555 1_555 1_555 102.0(9) no
O(4) Cl(3) O(7) 1_555 1_555 1_555 104.8(10) no
O(5) Cl(3) O(6) 1_555 1_555 1_555 121.0(10) no
O(5) Cl(3) O(7) 1_555 1_555 1_555 114.0(10) no
O(6) Cl(3) O(7) 1_555 1_555 1_555 97.0(10) no
Sm N(1) C(1) 1_555 1_555 1_555 107.7(4) no
Sm N(1) C(2) 1_555 1_555 1_555 115.4(4) no
Sm N(1) C(5) 1_555 1_555 1_555 107.6(5) no
C(1) N(1) C(2) 1_555 1_555 1_555 110.1(6) no
C(1) N(1) C(5) 1_555 1_555 1_555 106.0(6) no
C(2) N(1) C(5) 1_555 1_555 1_555 109.6(6) no
Sm N(2) C(3) 1_555 1_555 1_555 109.5(4) no
Sm N(2) C(4) 1_555 1_555 1_555 108.9(5) no
Sm N(2) C(6) 1_555 1_555 1_555 113.5(5) no
C(3) N(2) C(4) 1_555 1_555 1_555 111.9(7) no
C(3) N(2) C(6) 1_555 1_555 1_555 107.0(6) no
C(4) N(2) C(6) 1_555 1_555 1_555 106.0(6) no
Sm N(11) C(12) 1_555 1_555 1_555 115.1(5) no
C(12) N(11) C(16) 1_555 1_555 1_555 120.4(8) no
Sm N(21) C(22) 1_555 1_555 1_555 117.6(5) no
Sm N(21) C(26) 1_555 1_555 1_555 116.9(5) no
C(22) N(21) C(26) 1_555 1_555 1_555 120.6(8) no
Sm N(31) C(32) 1_555 1_555 1_555 112.9(5) no
Sm N(31) C(36) 1_555 1_555 1_555 122.0(6) no
C(32) N(31) C(36) 1_555 1_555 1_555 119.3(8) no
Sm N(41) C(42) 1_555 1_555 1_555 117.4(5) no
Sm N(41) C(46) 1_555 1_555 1_555 122.6(6) no
C(42) N(41) C(46) 1_555 1_555 1_555 119.9(8) no
N(1) C(1) C(12) 1_555 1_555 1_555 108.4(6) no
N(1) C(2) C(22) 1_555 1_555 1_555 111.5(6) no
N(2) C(3) C(32) 1_555 1_555 1_555 112.5(6) no
N(2) C(4) C(42) 1_555 1_555 1_555 113.6(6) no
N(1) C(5) C(6) 1_555 1_555 1_555 110.6(6) no
N(2) C(6) C(5) 1_555 1_555 1_555 110.0(7) no
N(11) C(12) C(1) 1_555 1_555 1_555 117.0(8) no
N(11) C(12) C(13) 1_555 1_555 1_555 120.2(9) no
C(1) C(12) C(13) 1_555 1_555 1_555 122.8(9) no
C(12) C(13) C(14) 1_555 1_555 1_555 119.9(10) no
C(13) C(14) C(15) 1_555 1_555 1_555 120.0(9) no
C(14) C(15) C(16) 1_555 1_555 1_555 118.0(9) no
N(11) C(16) C(15) 1_555 1_555 1_555 121.5(9) no
N(21) C(22) C(2) 1_555 1_555 1_555 119.4(7) no
N(21) C(22) C(23) 1_555 1_555 1_555 121.6(8) no
C(2) C(22) C(23) 1_555 1_555 1_555 119.0(8) no
C(22) C(23) C(24) 1_555 1_555 1_555 117.8(10) no
C(23) C(24) C(25) 1_555 1_555 1_555 120.0(10) no
C(24) C(25) C(26) 1_555 1_555 1_555 118.8(10) no
N(21) C(26) C(25) 1_555 1_555 1_555 121.0(9) no
N(31) C(32) C(3) 1_555 1_555 1_555 117.0(7) no
N(31) C(32) C(33) 1_555 1_555 1_555 121.1(8) no
C(3) C(32) C(33) 1_555 1_555 1_555 121.8(8) no
C(32) C(33) C(34) 1_555 1_555 1_555 119.3(9) no
C(33) C(34) C(35) 1_555 1_555 1_555 119.2(10) no
C(34) C(35) C(36) 1_555 1_555 1_555 120.3(10) no
N(31) C(36) C(35) 1_555 1_555 1_555 120.6(9) no
N(2) C(42) C(46) 1_555 1_555 1_555 118.4(4) no
N(41) C(42) C(4) 1_555 1_555 1_555 116.9(8) no
N(41) C(42) C(43) 1_555 1_555 1_555 122.1(8) no
C(4) C(42) C(43) 1_555 1_555 1_555 120.9(8) no
C(42) C(43) C(44) 1_555 1_555 1_555 118.1(8) no
C(43) C(44) C(45) 1_555 1_555 1_555 120.9(8) no
C(44) C(45) C(46) 1_555 1_555 1_555 118.3(9) no
N(41) C(46) C(45) 1_555 1_555 1_555 120.7(9) no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Sm Cl(1) 1_555 1_555 2.645(2) yes
Sm Cl(2) 1_555 1_555 2.673(2) yes
Sm N(1) 1_555 1_555 2.619(6) yes
Sm N(2) 1_555 1_555 2.634(6) yes
Sm N(11) 1_555 1_555 2.680(6) yes
Sm N(21) 1_555 1_555 2.566(6) yes
Sm N(31) 1_555 1_555 2.692(7) yes
Sm N(41) 1_555 1_555 2.630(7) yes
Cl(3) O(1) 1_555 1_555 1.480(10) no
Cl(3) O(2) 1_555 1_555 1.380(10) no
Cl(3) O(3) 1_555 1_555 1.460(10) no
Cl(3) O(4) 1_555 1_555 1.429(6) no
Cl(3) O(5) 1_555 1_555 1.27(3) no
Cl(3) O(6) 1_555 1_555 1.50(2) no
Cl(3) O(7) 1_555 1_555 1.43(2) no
O(1) O(2) 1_555 1_555 2.31(2) no
O(1) O(3) 1_555 1_555 2.30(2) no
O(1) O(4) 1_555 1_555 2.350(10) no
O(1) O(5) 1_555 1_555 1.45(3) no
O(1) O(6) 1_555 1_555 1.54(2) no
O(1) O(7) 1_555 1_555 2.77(3) no
O(2) O(3) 1_555 1_555 2.36(2) no
O(2) O(4) 1_555 1_555 2.380(10) no
O(2) O(5) 1_555 1_555 2.40(3) no
O(2) O(6) 1_555 1_555 1.33(2) no
O(2) O(7) 1_555 1_555 1.04(2) no
O(3) O(4) 1_555 1_555 2.370(10) no
O(3) O(5) 1_555 1_555 0.95(3) no
O(3) O(6) 1_555 1_555 2.85(3) no
O(3) O(7) 1_555 1_555 1.82(3) no
O(4) O(5) 1_555 1_555 2.27(3) no
O(4) O(6) 1_555 1_555 2.28(2) no
O(4) O(7) 1_555 1_555 2.27(2) no
O(5) O(6) 1_555 1_555 2.42(4) no
O(5) O(7) 1_555 1_555 2.27(4) no
O(6) O(7) 1_555 1_555 2.21(3) no
N(1) C(1) 1_555 1_555 1.503(9) no
N(1) C(2) 1_555 1_555 1.515(9) no
N(1) C(5) 1_555 1_555 1.500(9) no
N(2) C(3) 1_555 1_555 1.514(10) no
N(2) C(4) 1_555 1_555 1.485(9) no
N(2) C(6) 1_555 1_555 1.521(9) no
N(11) C(12) 1_555 1_555 1.397(9) no
N(11) C(16) 1_555 1_555 1.367(9) no
N(21) C(22) 1_555 1_555 1.337(10) no
N(21) C(26) 1_555 1_555 1.364(9) no
N(31) C(32) 1_555 1_555 1.368(9) no
N(31) C(36) 1_555 1_555 1.350(10) no
N(41) C(42) 1_555 1_555 1.370(9) no
N(41) C(46) 1_555 1_555 1.353(9) no
C(1) C(12) 1_555 1_555 1.500(10) no
C(2) C(22) 1_555 1_555 1.530(10) no
C(3) C(32) 1_555 1_555 1.480(10) no
C(4) C(42) 1_555 1_555 1.520(10) no
C(5) C(6) 1_555 1_555 1.530(10) no
C(12) C(13) 1_555 1_555 1.380(10) no
C(13) C(14) 1_555 1_555 1.420(10) no
C(14) C(15) 1_555 1_555 1.410(10) no
C(15) C(16) 1_555 1_555 1.410(10) no
C(22) C(23) 1_555 1_555 1.400(10) no
C(23) C(24) 1_555 1_555 1.410(10) no
C(24) C(25) 1_555 1_555 1.390(10) no
C(25) C(26) 1_555 1_555 1.390(10) no
C(32) C(33) 1_555 1_555 1.400(10) no
C(33) C(34) 1_555 1_555 1.370(10) no
C(34) C(35) 1_555 1_555 1.380(10) no
C(35) C(36) 1_555 1_555 1.400(10) no
C(42) C(43) 1_555 1_555 1.380(10) no
C(43) C(44) 1_555 1_555 1.390(10) no
C(44) C(45) 1_555 1_555 1.390(10) no
C(45) C(46) 1_555 1_555 1.410(10) no
