#------------------------------------------------------------------------------
#$Date: 2015-04-02 14:22:18 +0300 (Thu, 02 Apr 2015) $
#$Revision: 134621 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/00/4300088.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_4300088
loop_
_publ_author_name
'Rodolphe Clérac'
'F. Albert Cotton'
'Lee M. Daniels'
'Kim R. Dunbar'
'Carlos A. Murillo'
'Isabel Pascual'
_publ_section_title
;
Linear Trichromium Complexes with Direct Cr to Cr Contacts. 1. Compounds
with Cr3(dipyridylamide)42+ Cores
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              748
_journal_page_last               751
_journal_paper_doi               10.1021/ic990793u
_journal_volume                  39
_journal_year                    2000
_chemical_compound_source        synthesis
_chemical_formula_sum            'C42 H36 Cl5 Cr3 F6 N12 P'
_chemical_formula_weight         1187.05
_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   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 109.80(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.126(3)
_cell_length_b                   16.962(1)
_cell_length_c                   15.515(1)
_cell_measurement_reflns_used    160
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      14.6
_cell_measurement_theta_min      9.1
_cell_volume                     4735.7(9)
_computing_cell_refinement       MADNES
_computing_data_collection       MADNES
_computing_data_reduction        PROCOR
_computing_molecular_graphics    'SHELXTL (Siemens, 1996)'
_computing_publication_material  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measurement_device       'Nonius FAST'
_diffrn_measurement_method       'Ellipsoid mask-fitting'
_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  0.0490
_diffrn_reflns_av_sigmaI/netI    0.0325
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10455
_diffrn_reflns_theta_max         22.52
_diffrn_reflns_theta_min         2.40
_diffrn_standards_number         'None (Area detector)'
_exptl_absorpt_coefficient_mu    1.063
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green-black
_exptl_crystal_density_diffrn    1.665
_exptl_crystal_density_meas      ?
_exptl_crystal_description       regular
_exptl_crystal_F_000             2392
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.801
_refine_diff_density_min         -0.551
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.143
_refine_ls_goodness_of_fit_obs   1.163
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         2967
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.146
_refine_ls_restrained_S_obs      1.163
_refine_ls_R_factor_all          0.0507
_refine_ls_R_factor_obs          0.0475
_refine_ls_shift/esd_max         0.004
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0510P)²+28.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1277
_refine_ls_wR_factor_obs         0.1242
_reflns_number_observed          2760
_reflns_number_total             2968
_reflns_observed_criterion       >2sigma(I)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'None' changed to 'none'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0510P)^2^+28.0000P] where P=(Fo^2^+2Fc^2^)/3'
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^(Fo^2^)+(0.0510P)^2^+28.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        4735.6(9)
_cod_database_code               4300088
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Cr1 Cr 0.0000 0.09665(6) 0.2500 0.0245(3) Uani 1 d S .
Cr2 Cr 0.0000 0.21502(5) 0.2500 0.0207(3) Uani 1 d S .
Cr3 Cr 0.0000 0.36910(6) 0.2500 0.0229(3) Uani 1 d S .
Cl1 Cl 0.0000 0.51772(9) 0.2500 0.0380(4) Uani 1 d S .
P1 P 0.0000 -0.14646(13) 0.2500 0.0510(6) Uani 1 d S .
F1 F 0.0000 -0.0529(2) 0.2500 0.0401(9) Uani 1 d S .
F2 F 0.0252(6) -0.1508(3) 0.1653(5) 0.106(4) Uani 0.81(2) d P 1
F3 F 0.0833(3) -0.1491(3) 0.3151(6) 0.101(4) Uani 0.81(2) d P 1
F2' F 0.0709(17) -0.1427(17) 0.2290(28) 0.099(11) Uiso 0.19(2) d P 2
F3' F 0.0427(17) -0.1419(13) 0.3532(16) 0.075(9) Uiso 0.19(2) d P 2
F4 F 0.0000 -0.2426(3) 0.2500 0.090(2) Uani 1 d S .
N1 N 0.0582(2) 0.0952(2) 0.1590(2) 0.0230(8) Uani 1 d . .
N2 N 0.0853(2) 0.2246(2) 0.2018(2) 0.0223(8) Uani 1 d . .
N3 N 0.1088(2) 0.3560(2) 0.2437(2) 0.0241(8) Uani 1 d . .
N4 N 0.1025(2) 0.0955(2) 0.3533(2) 0.0208(8) Uani 1 d . .
N5 N 0.0726(2) 0.2216(2) 0.3801(2) 0.0227(8) Uani 1 d . .
N6 N 0.0478(2) 0.3537(2) 0.3968(2) 0.0241(8) Uani 1 d . .
C1 C 0.0636(3) 0.0312(3) 0.1102(3) 0.0274(11) Uani 1 d . .
H1 H 0.0407(22) -0.0099(26) 0.1175(26) 0.010(10) Uiso 1 d . .
C2 C 0.1027(3) 0.0293(3) 0.0517(3) 0.0330(12) Uani 1 d . .
H2 H 0.1075(28) -0.0132(32) 0.0231(36) 0.042(15) Uiso 1 d . .
C3 C 0.1374(3) 0.0981(3) 0.0397(4) 0.0336(12) Uani 1 d . .
H3 H 0.1605(25) 0.0983(25) 0.0047(32) 0.020(13) Uiso 1 d . .
C4 C 0.1335(3) 0.1644(3) 0.0879(3) 0.0320(11) Uani 1 d . .
H4 H 0.1541(24) 0.2100(27) 0.0782(30) 0.023(12) Uiso 1 d . .
C5 C 0.0947(2) 0.1623(2) 0.1500(3) 0.0224(10) Uani 1 d . .
C6 C 0.1357(2) 0.2854(2) 0.2260(3) 0.0232(10) Uani 1 d . .
C7 C 0.2121(2) 0.2775(3) 0.2395(3) 0.0307(11) Uani 1 d . .
H7 H 0.2318(25) 0.2257(27) 0.2354(30) 0.025(12) Uiso 1 d . .
C8 C 0.2581(3) 0.3415(3) 0.2620(4) 0.0406(13) Uani 1 d . .
H8 H 0.3050(31) 0.3365(28) 0.2741(34) 0.036(14) Uiso 1 d . .
C9 C 0.2295(3) 0.4137(3) 0.2746(4) 0.0395(13) Uani 1 d . .
H9 H 0.2583(31) 0.4584(33) 0.2898(37) 0.050(15) Uiso 1 d . .
C10 C 0.1559(3) 0.4180(3) 0.2662(3) 0.0330(11) Uani 1 d . .
H10 H 0.1337(32) 0.4653(35) 0.2767(40) 0.057(17) Uiso 1 d . .
C11 C 0.1525(2) 0.0366(3) 0.3641(3) 0.0265(10) Uani 1 d . .
H11 H 0.1365(26) -0.0048(30) 0.3244(33) 0.033(13) Uiso 1 d . .
C12 C 0.2224(3) 0.0389(3) 0.4274(3) 0.0320(11) Uani 1 d . .
H12 H 0.2507(24) -0.0003(27) 0.4337(28) 0.018(11) Uiso 1 d . .
C13 C 0.2418(3) 0.1034(3) 0.4850(4) 0.0346(12) Uani 1 d . .
H13 H 0.2838(29) 0.1027(26) 0.5224(34) 0.027(13) Uiso 1 d . .
C14 C 0.1930(2) 0.1639(3) 0.4765(3) 0.0295(11) Uani 1 d . .
H14 H 0.2075(26) 0.2092(28) 0.5141(33) 0.030(12) Uiso 1 d . .
C15 C 0.1223(2) 0.1611(2) 0.4070(3) 0.0222(10) Uani 1 d . .
C16 C 0.0717(2) 0.2830(2) 0.4372(3) 0.0234(10) Uani 1 d . .
C17 C 0.0904(3) 0.2750(3) 0.5335(3) 0.0314(11) Uani 1 d . .
H17 H 0.0982(21) 0.2299(25) 0.5570(28) 0.009(10) Uiso 1 d . .
C18 C 0.0910(3) 0.3394(3) 0.5862(4) 0.0376(12) Uani 1 d . .
H18 H 0.1024(28) 0.3318(29) 0.6486(40) 0.042(14) Uiso 1 d . .
C19 C 0.0728(3) 0.4121(3) 0.5453(3) 0.0373(13) Uani 1 d . .
H19 H 0.0712(28) 0.4555(32) 0.5738(37) 0.043(15) Uiso 1 d . .
C20 C 0.0496(2) 0.4165(3) 0.4516(3) 0.0297(11) Uani 1 d . .
H20 H 0.0357(23) 0.4644(27) 0.4184(30) 0.024(11) Uiso 1 d . .
C21 C -0.3997(3) 0.1652(4) 0.4078(4) 0.0535(15) Uani 1 d . .
Cl2 Cl -0.37324(9) 0.12406(9) 0.51894(11) 0.0612(5) Uani 1 d . .
Cl3A Cl -0.3265(15) 0.2124(14) 0.3896(19) 0.135(10) Uani 0.25 d P 1
Cl3B Cl -0.3250(6) 0.1410(5) 0.3632(8) 0.080(3) Uani 0.50 d P 2
Cl3C Cl -0.3235(10) 0.1788(11) 0.3718(15) 0.073(7) Uani 0.25 d P 3
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'
F F 0.0171 0.0103 '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'
Cr Cr 0.3209 0.6236 '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
Cr2 Cr1 N4 90.56(9) . 6_556 ?
Cr2 Cr1 N4 90.55(9) . . ?
N4 Cr1 N4 178.9(2) 6_556 . ?
Cr2 Cr1 N1 90.68(10) . . ?
N4 Cr1 N1 93.39(13) 6_556 . ?
N4 Cr1 N1 86.60(13) . . ?
Cr2 Cr1 N1 90.68(10) . 6_556 ?
N4 Cr1 N1 86.60(13) 6_556 6_556 ?
N4 Cr1 N1 93.39(13) . 6_556 ?
N1 Cr1 N1 178.6(2) . 6_556 ?
Cr2 Cr1 F1 180.0 . . ?
N4 Cr1 F1 89.44(9) 6_556 . ?
N4 Cr1 F1 89.45(9) . . ?
N1 Cr1 F1 89.32(10) . . ?
N1 Cr1 F1 89.32(10) 6_556 . ?
Cr2 Cr1 Cr3 0.0 . . ?
N4 Cr1 Cr3 90.56(9) 6_556 . ?
N4 Cr1 Cr3 90.55(9) . . ?
N1 Cr1 Cr3 90.68(10) . . ?
N1 Cr1 Cr3 90.68(10) 6_556 . ?
F1 Cr1 Cr3 180.0 . . ?
Cr1 Cr2 N2 94.62(10) . 6_556 ?
Cr1 Cr2 N2 94.62(10) . . ?
N2 Cr2 N2 170.8(2) 6_556 . ?
Cr1 Cr2 N5 93.17(10) . 6_556 ?
N2 Cr2 N5 89.87(14) 6_556 6_556 ?
N2 Cr2 N5 89.62(14) . 6_556 ?
Cr1 Cr2 N5 93.18(10) . . ?
N2 Cr2 N5 89.62(14) 6_556 . ?
N2 Cr2 N5 89.87(14) . . ?
N5 Cr2 N5 173.6(2) 6_556 . ?
Cr1 Cr2 Cr3 180.0 . . ?
N2 Cr2 Cr3 85.38(10) 6_556 . ?
N2 Cr2 Cr3 85.38(10) . . ?
N5 Cr2 Cr3 86.83(10) 6_556 . ?
N5 Cr2 Cr3 86.82(10) . . ?
N3 Cr3 N3 168.0(2) 6_556 . ?
N3 Cr3 N6 90.59(13) 6_556 . ?
N3 Cr3 N6 87.97(13) . . ?
N3 Cr3 N6 87.97(13) 6_556 6_556 ?
N3 Cr3 N6 90.58(13) . 6_556 ?
N6 Cr3 N6 166.1(2) . 6_556 ?
N3 Cr3 Cl1 96.00(9) 6_556 . ?
N3 Cr3 Cl1 96.00(9) . . ?
N6 Cr3 Cl1 96.93(9) . . ?
N6 Cr3 Cl1 96.93(9) 6_556 . ?
N3 Cr3 Cr2 84.00(9) 6_556 . ?
N3 Cr3 Cr2 84.00(9) . . ?
N6 Cr3 Cr2 83.07(9) . . ?
N6 Cr3 Cr2 83.07(9) 6_556 . ?
Cl1 Cr3 Cr2 180.0 . . ?
N3 Cr3 Cr1 84.00(9) 6_556 . ?
N3 Cr3 Cr1 84.00(9) . . ?
N6 Cr3 Cr1 83.07(9) . . ?
N6 Cr3 Cr1 83.07(9) 6_556 . ?
Cl1 Cr3 Cr1 180.0 . . ?
Cr2 Cr3 Cr1 0.0 . . ?
F2' P1 F2' 175.1(22) 6_556 . ?
F2' P1 F3' 91.3(16) 6_556 6_556 ?
F2' P1 F3' 88.4(16) . 6_556 ?
F2' P1 F3' 88.4(16) 6_556 . ?
F2' P1 F3' 91.3(16) . . ?
F3' P1 F3' 174.2(17) 6_556 . ?
F2 P1 F2 174.5(4) 6_556 . ?
F2 P1 F3 89.6(4) 6_556 . ?
F2 P1 F3 90.3(4) . . ?
F2 P1 F3 90.3(4) 6_556 6_556 ?
F2 P1 F3 89.6(4) . 6_556 ?
F3 P1 F3 176.7(4) . 6_556 ?
F2' P1 F1 87.5(11) 6_556 . ?
F2' P1 F1 87.5(11) . . ?
F3' P1 F1 87.1(9) 6_556 . ?
F3' P1 F1 87.1(9) . . ?
F2 P1 F1 92.7(2) 6_556 . ?
F2 P1 F1 92.7(2) . . ?
F3 P1 F1 91.6(2) . . ?
F3 P1 F1 91.6(2) 6_556 . ?
F2' P1 F4 92.5(11) 6_556 . ?
F2' P1 F4 92.5(11) . . ?
F3' P1 F4 92.9(9) 6_556 . ?
F3' P1 F4 92.9(9) . . ?
F2 P1 F4 87.3(2) 6_556 . ?
F2 P1 F4 87.3(2) . . ?
F3 P1 F4 88.4(2) . . ?
F3 P1 F4 88.4(2) 6_556 . ?
F1 P1 F4 180.0 . . ?
P1 F1 Cr1 180.0 . . ?
C1 N1 C5 118.4(4) . . ?
C1 N1 Cr1 123.6(3) . . ?
C5 N1 Cr1 118.0(3) . . ?
C6 N2 C5 121.2(4) . . ?
C6 N2 Cr2 122.7(3) . . ?
C5 N2 Cr2 115.8(3) . . ?
C10 N3 C6 118.0(4) . . ?
C10 N3 Cr3 118.9(3) . . ?
C6 N3 Cr3 122.8(3) . . ?
C11 N4 C15 119.2(4) . . ?
C11 N4 Cr1 123.2(3) . . ?
C15 N4 Cr1 117.3(3) . . ?
C15 N5 C16 122.3(3) . . ?
C15 N5 Cr2 115.7(3) . . ?
C16 N5 Cr2 122.0(3) . . ?
C20 N6 C16 118.1(4) . . ?
C20 N6 Cr3 118.5(3) . . ?
C16 N6 Cr3 123.2(3) . . ?
N1 C1 C2 124.0(5) . . ?
C1 C2 C3 117.8(5) . . ?
C4 C3 C2 120.3(5) . . ?
C3 C4 C5 119.6(5) . . ?
N1 C5 N2 114.1(4) . . ?
N1 C5 C4 119.9(4) . . ?
N2 C5 C4 125.8(4) . . ?
N3 C6 N2 115.7(4) . . ?
N3 C6 C7 119.7(4) . . ?
N2 C6 C7 124.5(4) . . ?
C8 C7 C6 120.5(5) . . ?
C7 C8 C9 119.2(5) . . ?
C10 C9 C8 118.5(5) . . ?
N3 C10 C9 123.8(5) . . ?
N4 C11 C12 123.2(4) . . ?
C11 C12 C13 118.1(5) . . ?
C14 C13 C12 120.6(5) . . ?
C13 C14 C15 119.6(5) . . ?
N5 C15 N4 113.9(3) . . ?
N5 C15 C14 126.5(4) . . ?
N4 C15 C14 119.2(4) . . ?
N6 C16 N5 116.6(4) . . ?
N6 C16 C17 119.7(4) . . ?
N5 C16 C17 123.6(4) . . ?
C18 C17 C16 120.2(5) . . ?
C17 C18 C19 119.4(5) . . ?
C20 C19 C18 118.6(5) . . ?
N6 C20 C19 123.5(4) . . ?
Cl3A C21 Cl2 111.3(10) . . ?
Cl3C C21 Cl2 111.7(7) . . ?
Cl2 C21 Cl3B 106.1(5) . . ?
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
Cr1 Cr2 2.0077(14) . ?
Cr1 N4 2.069(3) 6_556 ?
Cr1 N4 2.069(3) . ?
Cr1 N1 2.074(4) . ?
Cr1 N1 2.074(4) 6_556 ?
Cr1 F1 2.536(4) . ?
Cr1 Cr3 4.6213(14) . ?
Cr2 N2 2.019(3) 6_556 ?
Cr2 N2 2.019(3) . ?
Cr2 N5 2.029(3) 6_556 ?
Cr2 N5 2.029(3) . ?
Cr2 Cr3 2.6136(13) . ?
Cr3 N3 2.127(4) 6_556 ?
Cr3 N3 2.128(4) . ?
Cr3 N6 2.163(4) . ?
Cr3 N6 2.163(4) 6_556 ?
Cr3 Cl1 2.521(2) . ?
P1 F2' 1.50(3) 6_556 ?
P1 F2' 1.50(3) . ?
P1 F3' 1.53(2) 6_556 ?
P1 F3' 1.53(2) . ?
P1 F2 1.548(5) 6_556 ?
P1 F2 1.548(5) . ?
P1 F3 1.571(5) . ?
P1 F3 1.571(5) 6_556 ?
P1 F1 1.588(5) . ?
P1 F4 1.630(6) . ?
N1 C1 1.348(6) . ?
N1 C5 1.365(6) . ?
N2 C6 1.374(5) . ?
N2 C5 1.376(5) . ?
N3 C10 1.351(6) . ?
N3 C6 1.368(6) . ?
N4 C11 1.354(6) . ?
N4 C15 1.366(5) . ?
N5 C15 1.365(5) . ?
N5 C16 1.371(5) . ?
N6 C20 1.356(6) . ?
N6 C16 1.358(5) . ?
C1 C2 1.359(7) . ?
C2 C3 1.386(7) . ?
C3 C4 1.365(7) . ?
C4 C5 1.404(7) . ?
C6 C7 1.409(6) . ?
C7 C8 1.366(7) . ?
C8 C9 1.381(8) . ?
C9 C10 1.370(7) . ?
C11 C12 1.364(7) . ?
C12 C13 1.382(7) . ?
C13 C14 1.364(7) . ?
C14 C15 1.416(6) . ?
C16 C17 1.420(7) . ?
C17 C18 1.363(7) . ?
C18 C19 1.377(8) . ?
C19 C20 1.370(7) . ?
C21 Cl3A 1.72(3) . ?
C21 Cl3C 1.74(2) . ?
C21 Cl2 1.768(6) . ?
C21 Cl3B 1.832(14) . ?
