#------------------------------------------------------------------------------
#$Date: 2016-02-16 02:10:39 +0100 (mar 16 de feb de 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/08/7050804.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_7050804
loop_
_publ_author_name
'Kroke, Edwin'
'Schwarz, Marcus'
'Horath-Bordon, Elisabeth'
'Kroll, Peter'
'Noll, Bruce'
'Norman, Arlan D.'
_publ_section_title
;
 Tri-s-triazine derivatives. Part I. From trichloro-tri-s-triazine
 to graphitic C₃N₄ structures
;
_journal_issue                   5
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              508
_journal_page_last               512
_journal_paper_doi               10.1039/b111062b
_journal_volume                  26
_journal_year                    2002
_chemical_formula_sum            'C26 H11 Cl10.5 N24.5 O1.5'
_chemical_formula_weight         1062.82
_chemical_name_systematic        ?
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.4770(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.2550(3)
_cell_length_b                   13.4512(2)
_cell_length_c                   26.8143(4)
_cell_measurement_reflns_used    6216
_cell_measurement_temperature    142(2)
_cell_measurement_theta_max      27
_cell_measurement_theta_min      1.63
_cell_volume                     7805.3(2)
_computing_cell_refinement       'Siemens SAINT'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      142(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0997
_diffrn_reflns_av_sigmaI/netI    0.0650
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            40278
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    0.815
_exptl_absorpt_correction_T_max  0.9681
_exptl_absorpt_correction_T_min  0.8410
_exptl_absorpt_correction_type   'empirical from equivalents'
_exptl_absorpt_process_details   'Blessing, Acta Cryst. (1995) A51 33-38.'
_exptl_crystal_colour            gold
_exptl_crystal_density_diffrn    1.809
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4232
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.557
_refine_diff_density_min         -0.593
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.235
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     566
_refine_ls_number_reflns         8520
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.235
_refine_ls_R_factor_all          0.1148
_refine_ls_R_factor_gt           0.0798
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0120P)²+82.3872P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1360
_refine_ls_wR_factor_ref         0.1511
_reflns_number_gt                6354
_reflns_number_total             8520
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b111062b.txt
_cod_data_source_block           bc324fm
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        7805.31(19)
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C26 H11 Cl10.50 N24.50 O1.50'
_cod_database_code               7050804
loop_
_symmetry_equiv_pos_as_xyz
'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, -y, -z'
'x, -y, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl1 Cl 0.28731(7) 0.18424(10) 0.12716(6) 0.0279(3) Uani 1 1 d . . .
Cl2 Cl 0.05491(6) 0.40067(10) -0.12213(5) 0.0263(3) Uani 1 1 d . . .
Cl3 Cl 0.20908(6) 0.72200(10) 0.11601(6) 0.0260(3) Uani 1 1 d . . .
N1 N 0.18053(19) 0.4335(3) 0.04146(16) 0.0147(8) Uani 1 1 d . . .
N2 N 0.25786(19) 0.3687(3) 0.11895(17) 0.0197(9) Uani 1 1 d . . .
N3 N 0.2050(2) 0.2630(3) 0.04329(17) 0.0198(9) Uani 1 1 d . . .
N4 N 0.1337(2) 0.3308(3) -0.03430(17) 0.0206(10) Uani 1 1 d . . .
N5 N 0.10267(19) 0.5015(3) -0.03481(17) 0.0191(9) Uani 1 1 d . . .
N6 N 0.15231(19) 0.6031(3) 0.03790(17) 0.0184(9) Uani 1 1 d . . .
N7 N 0.23303(18) 0.5359(3) 0.11554(16) 0.0169(9) Uani 1 1 d . . .
C1 C 0.2247(2) 0.4460(4) 0.0929(2) 0.0175(11) Uani 1 1 d . . .
C2 C 0.2452(2) 0.2836(4) 0.0927(2) 0.0203(11) Uani 1 1 d . . .
C3 C 0.1725(2) 0.3407(4) 0.0162(2) 0.0198(11) Uani 1 1 d . . .
C4 C 0.1022(2) 0.4114(4) -0.0559(2) 0.0196(11) Uani 1 1 d . . .
C5 C 0.1444(2) 0.5140(4) 0.01448(19) 0.0162(10) Uani 1 1 d . . .
C6 C 0.1970(2) 0.6071(4) 0.0864(2) 0.0191(11) Uani 1 1 d . . .
Cl4 Cl 0.17184(6) 0.60915(10) -0.10623(5) 0.0252(3) Uani 1 1 d . . .
Cl5 Cl 0.41494(6) 0.36640(11) 0.12543(5) 0.0261(3) Uani 1 1 d . . .
Cl6 Cl 0.46460(6) 0.44135(12) -0.13212(5) 0.0296(3) Uani 1 1 d . . .
N8 N 0.34879(19) 0.4663(3) -0.03849(16) 0.0159(9) Uani 1 1 d . . .
N9 N 0.27539(19) 0.5522(3) -0.10988(17) 0.0179(9) Uani 1 1 d . . .
N10 N 0.25446(19) 0.5120(3) -0.03069(16) 0.0167(9) Uani 1 1 d . . .
N11 N 0.3292(2) 0.4323(3) 0.04022(16) 0.0185(9) Uani 1 1 d . . .
N12 N 0.4275(2) 0.3907(3) 0.03492(17) 0.0211(10) Uani 1 1 d . . .
N13 N 0.4428(2) 0.4127(3) -0.04516(17) 0.0218(10) Uani 1 1 d . . .
N14 N 0.36659(19) 0.5002(3) -0.11807(16) 0.0189(9) Uani 1 1 d . . .
C7 C 0.3305(2) 0.5073(4) -0.0897(2) 0.0188(11) Uani 1 1 d . . .
C8 C 0.2421(2) 0.5507(4) -0.0794(2) 0.0192(11) Uani 1 1 d . . .
C9 C 0.3103(2) 0.4693(4) -0.0093(2) 0.0174(11) Uani 1 1 d . . .
C10 C 0.3871(2) 0.3997(4) 0.0591(2) 0.0200(11) Uani 1 1 d . . .
C11 C 0.4074(2) 0.4226(4) -0.01586(19) 0.0163(10) Uani 1 1 d . . .
C12 C 0.4191(2) 0.4521(4) -0.0942(2) 0.0206(11) Uani 1 1 d . . .
Cl7 Cl -0.09873(7) 0.49716(12) -0.13562(5) 0.0321(3) Uani 1 1 d . . .
Cl8 Cl 0.13992(6) 0.87526(10) -0.12494(5) 0.0235(3) Uani 1 1 d . . .
Cl9 Cl 0.05954(6) 0.78306(11) 0.11582(5) 0.0256(3) Uani 1 1 d . . .
N15 N 0.03115(19) 0.7222(3) -0.04908(16) 0.0167(9) Uani 1 1 d . . .
N16 N -0.0446(2) 0.6030(3) -0.05160(17) 0.0208(10) Uani 1 1 d . . .
N17 N -0.01570(19) 0.6288(3) -0.12820(16) 0.0180(9) Uani 1 1 d . . .
N18 N 0.05892(19) 0.7454(3) -0.12444(17) 0.0166(9) Uani 1 1 d . . .
N19 N 0.10513(19) 0.8455(3) -0.04520(16) 0.0165(9) Uani 1 1 d . . .
N20 N 0.07830(19) 0.8188(3) 0.02886(16) 0.0183(9) Uani 1 1 d . . .
N21 N 0.0057(2) 0.6903(3) 0.02692(17) 0.0199(9) Uani 1 1 d . . .
C13 C -0.0032(2) 0.6712(4) -0.0240(2) 0.0168(10) Uani 1 1 d . . .
C14 C -0.0471(2) 0.5875(4) -0.1008(2) 0.0224(12) Uani 1 1 d . . .
C15 C 0.0244(2) 0.6982(4) -0.10158(19) 0.0171(10) Uani 1 1 d . . .
C16 C 0.0962(2) 0.8151(4) -0.0951(2) 0.0186(11) Uani 1 1 d . . .
C17 C 0.0719(2) 0.7970(4) -0.02130(19) 0.0152(10) Uani 1 1 d . . .
C18 C 0.0458(2) 0.7626(4) 0.0496(2) 0.0200(11) Uani 1 1 d . . .
Cl10 Cl 0.33255(11) 1.02879(17) 0.22974(7) 0.0704(7) Uani 1 1 d . . .
Cl11 Cl 0.5000 0.54885(15) 0.2500 0.0309(5) Uani 1 2 d S . .
N22 N 0.5000 0.8687(5) 0.2500 0.0301(16) Uani 1 2 d S . .
N23 N 0.4479(3) 1.0204(4) 0.2446(2) 0.0505(17) Uani 1 1 d . . .
N24 N 0.3951(3) 0.8666(4) 0.24201(19) 0.0377(13) Uani 1 1 d . . .
N25 N 0.4480(2) 0.7186(4) 0.24962(18) 0.0268(11) Uani 1 1 d . . .
C19 C 0.5000 0.9717(7) 0.2500 0.042(3) Uani 1 2 d S . .
C20 C 0.4001(4) 0.9635(5) 0.2405(2) 0.0452(19) Uani 1 1 d . . .
C21 C 0.4471(3) 0.8169(5) 0.2472(2) 0.0285(13) Uani 1 1 d . . .
C22 C 0.5000 0.6756(6) 0.2500 0.0266(18) Uani 1 2 d S . .
O1S O 0.5000 0.3367(4) 0.2500 0.0357(15) Uani 1 2 d S . .
C1S C 0.4001(3) 0.3429(7) 0.2556(3) 0.058(2) Uani 1 1 d . . .
H1SA H 0.3663 0.3021 0.2580 0.087 Uiso 1 1 calc R . .
H1SB H 0.3848 0.3836 0.2231 0.087 Uiso 1 1 calc R . .
H1SC H 0.4159 0.3862 0.2871 0.087 Uiso 1 1 calc R . .
C2S C 0.4512(4) 0.2763(5) 0.2535(3) 0.0455(18) Uani 1 1 d . . .
H2SA H 0.4666 0.2344 0.2861 0.055 Uiso 1 1 calc R . .
H2SB H 0.4354 0.2319 0.2219 0.055 Uiso 1 1 calc R . .
O2S O 0.3498(2) 0.2637(4) -0.15204(19) 0.0543(14) Uani 1 1 d . . .
C3S C 0.3157(3) 0.2707(7) -0.1999(3) 0.056(2) Uani 1 1 d . . .
C4S C 0.2726(4) 0.1900(9) -0.2284(3) 0.084(4) Uani 1 1 d . . .
H4SA H 0.2768 0.1340 -0.2039 0.127 Uiso 1 1 calc R . .
H4SB H 0.2825 0.1678 -0.2591 0.127 Uiso 1 1 calc R . .
H4SC H 0.2301 0.2149 -0.2410 0.127 Uiso 1 1 calc R . .
C5S C 0.3146(3) 0.3625(7) -0.2323(3) 0.063(3) Uani 1 1 d . . .
H5SA H 0.3445 0.4109 -0.2099 0.094 Uiso 1 1 calc R . .
H5SB H 0.2731 0.3917 -0.2448 0.094 Uiso 1 1 calc R . .
H5SC H 0.3255 0.3449 -0.2632 0.094 Uiso 1 1 calc R . .
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'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 '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
C1 N1 C5 120.2(4) . . ?
C1 N1 C3 120.4(4) . . ?
C5 N1 C3 119.4(4) . . ?
C2 N2 C1 115.2(4) . . ?
C3 N3 C2 115.2(4) . . ?
C4 N4 C3 115.2(4) . . ?
C5 N5 C4 115.1(4) . . ?
C5 N6 C6 114.7(4) . . ?
C6 N7 C1 115.6(4) . . ?
N2 C1 N7 120.7(5) . . ?
N2 C1 N1 120.0(5) . . ?
N7 C1 N1 119.3(4) . . ?
N2 C2 N3 130.2(5) . . ?
N2 C2 Cl1 114.7(4) . . ?
N3 C2 Cl1 115.2(4) . . ?
N4 C3 N3 120.8(5) . . ?
N4 C3 N1 120.2(5) . . ?
N3 C3 N1 119.0(4) . . ?
N4 C4 N5 130.1(5) . . ?
N4 C4 Cl2 115.3(4) . . ?
N5 C4 Cl2 114.6(4) . . ?
N5 C5 N6 120.3(5) . . ?
N5 C5 N1 119.7(4) . . ?
N6 C5 N1 119.9(4) . . ?
N7 C6 N6 130.1(5) . . ?
N7 C6 Cl3 114.7(4) . . ?
N6 C6 Cl3 115.2(4) . . ?
C9 N8 C7 121.1(4) . . ?
C9 N8 C11 119.6(4) . . ?
C7 N8 C11 119.3(4) . . ?
C8 N9 C7 115.9(4) . . ?
C8 N10 C9 114.4(4) . . ?
C10 N11 C9 114.9(4) . . ?
C10 N12 C11 114.9(5) . . ?
C12 N13 C11 114.8(4) . . ?
C12 N14 C7 115.0(4) . . ?
N14 C7 N9 120.9(5) . . ?
N14 C7 N8 120.5(5) . . ?
N9 C7 N8 118.6(4) . . ?
N9 C8 N10 130.4(5) . . ?
N9 C8 Cl4 114.8(4) . . ?
N10 C8 Cl4 114.8(4) . . ?
N11 C9 N10 120.0(4) . . ?
N11 C9 N8 120.3(5) . . ?
N10 C9 N8 119.7(4) . . ?
N11 C10 N12 130.2(5) . . ?
N11 C10 Cl5 115.3(4) . . ?
N12 C10 Cl5 114.5(4) . . ?
N13 C11 N12 120.4(5) . . ?
N13 C11 N8 119.8(4) . . ?
N12 C11 N8 119.8(4) . . ?
N14 C12 N13 130.2(5) . . ?
N14 C12 Cl6 114.4(4) . . ?
N13 C12 Cl6 115.4(4) . . ?
C17 N15 C15 120.5(4) . . ?
C17 N15 C13 119.5(4) . . ?
C15 N15 C13 119.9(4) . . ?
C14 N16 C13 114.9(4) . . ?
C15 N17 C14 114.6(4) . . ?
C16 N18 C15 115.9(4) . . ?
C16 N19 C17 115.0(4) . . ?
C18 N20 C17 115.3(4) . . ?
C13 N21 C18 115.4(4) . . ?
N21 C13 N16 120.7(5) . . ?
N21 C13 N15 119.9(5) . . ?
N16 C13 N15 119.5(4) . . ?
N16 C14 N17 131.0(5) . . ?
N16 C14 Cl7 114.8(4) . . ?
N17 C14 Cl7 114.2(4) . . ?
N17 C15 N18 120.6(4) . . ?
N17 C15 N15 120.1(4) . . ?
N18 C15 N15 119.3(4) . . ?
N18 C16 N19 129.7(5) . . ?
N18 C16 Cl8 115.4(4) . . ?
N19 C16 Cl8 114.9(4) . . ?
N20 C17 N19 120.4(4) . . ?
N20 C17 N15 120.1(4) . . ?
N19 C17 N15 119.6(4) . . ?
N20 C18 N21 129.6(5) . . ?
N20 C18 Cl9 115.2(4) . . ?
N21 C18 Cl9 115.1(4) . . ?
C19 N22 C21 120.0(4) . . ?
C19 N22 C21 120.0(4) . 2_655 ?
C21 N22 C21 119.9(7) . 2_655 ?
C20 N23 C19 115.2(6) . . ?
C20 N24 C21 114.3(6) . . ?
C21 N25 C22 115.5(6) . . ?
N23 C19 N23 121.3(9) . 2_655 ?
N23 C19 N22 119.4(4) . . ?
N23 C19 N22 119.4(4) 2_655 . ?
N24 C20 N23 131.0(7) . . ?
N24 C20 Cl10 115.1(6) . . ?
N23 C20 Cl10 113.9(5) . . ?
N25 C21 N24 120.0(6) . . ?
N25 C21 N22 120.0(6) . . ?
N24 C21 N22 120.0(6) . . ?
N25 C22 N25 128.8(7) . 2_655 ?
N25 C22 Cl11 115.6(4) . . ?
N25 C22 Cl11 115.6(4) 2_655 . ?
C2S O1S C2S 110.6(8) . 2_655 ?
O1S C2S C1S 108.8(6) . . ?
O2S C3S C4S 122.1(9) . . ?
O2S C3S C5S 121.9(8) . . ?
C4S C3S C5S 115.9(7) . . ?
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
Cl1 C2 1.714(5) . ?
Cl2 C4 1.719(5) . ?
Cl3 C6 1.713(5) . ?
N1 C1 1.397(6) . ?
N1 C5 1.399(6) . ?
N1 C3 1.399(6) . ?
N2 C2 1.319(7) . ?
N2 C1 1.330(7) . ?
N3 C3 1.339(7) . ?
N3 C2 1.342(7) . ?
N4 C4 1.317(7) . ?
N4 C3 1.330(7) . ?
N5 C5 1.333(6) . ?
N5 C4 1.336(7) . ?
N6 C5 1.334(6) . ?
N6 C6 1.335(7) . ?
N7 C6 1.324(7) . ?
N7 C1 1.335(6) . ?
Cl4 C8 1.716(5) . ?
Cl5 C10 1.715(5) . ?
Cl6 C12 1.721(5) . ?
N8 C9 1.388(6) . ?
N8 C7 1.393(6) . ?
N8 C11 1.403(6) . ?
N9 C8 1.315(6) . ?
N9 C7 1.338(6) . ?
N10 C8 1.336(6) . ?
N10 C9 1.342(6) . ?
N11 C10 1.326(7) . ?
N11 C9 1.334(6) . ?
N12 C10 1.329(7) . ?
N12 C11 1.338(6) . ?
N13 C12 1.335(7) . ?
N13 C11 1.335(6) . ?
N14 C12 1.322(6) . ?
N14 C7 1.327(6) . ?
Cl7 C14 1.723(5) . ?
Cl8 C16 1.711(5) . ?
Cl9 C18 1.709(5) . ?
N15 C17 1.396(6) . ?
N15 C15 1.396(6) . ?
N15 C13 1.399(6) . ?
N16 C14 1.316(7) . ?
N16 C13 1.340(7) . ?
N17 C15 1.328(6) . ?
N17 C14 1.332(7) . ?
N18 C16 1.324(7) . ?
N18 C15 1.335(6) . ?
N19 C16 1.339(6) . ?
N19 C17 1.340(6) . ?
N20 C18 1.325(7) . ?
N20 C17 1.331(6) . ?
N21 C13 1.329(6) . ?
N21 C18 1.330(7) . ?
Cl10 C20 1.729(7) . ?
Cl11 C22 1.706(8) . ?
N22 C19 1.385(11) . ?
N22 C21 1.392(7) . ?
N22 C21 1.392(7) 2_655 ?
N23 C20 1.321(10) . ?
N23 C19 1.338(7) . ?
N24 C20 1.311(9) . ?
N24 C21 1.344(8) . ?
N25 C21 1.323(8) . ?
N25 C22 1.337(6) . ?
C19 N23 1.338(7) 2_655 ?
C22 N25 1.337(6) 2_655 ?
O1S C2S 1.427(7) . ?
O1S C2S 1.427(7) 2_655 ?
C1S C2S 1.506(11) . ?
O2S C3S 1.240(8) . ?
C3S C4S 1.486(12) . ?
C3S C5S 1.505(12) . ?
