#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:24:00 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179244 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/64/4316478.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_4316478
loop_
_publ_author_name
'Maria José Calhorda'
'Carmen Ceamanos'
'Olga Crespo'
'M. Concepción Gimeno'
'Antonio Laguna'
'Carmen Larraz'
'Pedro D. Vaz'
'M. Dolores Villacampa'
_publ_section_title
;
 Heteropolynuclear Gold Complexes with Metallophilic Interactions:
 Modulation of the Luminescent Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8255
_journal_page_last               8269
_journal_paper_doi               10.1021/ic100413x
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C36 H30 Au2 B Cl8 Cu F4 N2 P2'
_chemical_formula_weight         1380.44
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 101.6840(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.1758(9)
_cell_length_b                   15.0406(10)
_cell_length_c                   22.4936(15)
_cell_measurement_reflns_used    5716
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.1
_cell_measurement_theta_min      2.4
_cell_volume                     4365.2(5)
_computing_cell_refinement       'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_data_collection       'SMART v. 5.611 (Bruker AXS, 2000)'
_computing_data_reduction        'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_molecular_graphics    'XP, SHELXTL v. 6.10 (Bruker, 2000)'
_computing_publication_material  'XCIF, SHELXTL v. 6.10 (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.26
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX CCD system'
_diffrn_measurement_method       'ω rotations with narrow frames'
_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  0.0422
_diffrn_reflns_av_sigmaI/netI    0.0505
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            25547
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    7.799
_exptl_absorpt_correction_T_max  0.652
_exptl_absorpt_correction_T_min  0.368
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS; Area-Detector Absorption Correction. Bruker-AXS
within SAINT+ package, v. 6.02 (1999).
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.100
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2616
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         3.263
_refine_diff_density_min         -1.420
_refine_diff_density_rms         0.183
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         8596
_refine_ls_number_restraints     27
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0614
_refine_ls_R_factor_gt           0.0461
_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)+(0.0389P)²+33.0707P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0965
_refine_ls_wR_factor_ref         0.1028
_reflns_number_gt                6970
_reflns_number_total             8596
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic100413x_si_003.cif
_cod_data_source_block           lol97as
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4316478
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Au1 Au 0.09254(3) 0.74982(2) 0.338442(14) 0.02609(9) Uani 1 1 d . . .
Au2 Au 0.25476(3) 0.65139(2) 0.282934(13) 0.02397(9) Uani 1 1 d . . .
Cu1 Cu 0.20517(9) 0.59535(7) 0.40415(5) 0.0343(3) Uani 1 1 d . . .
Cl1 Cl -0.01692(16) 0.71269(14) 0.24891(9) 0.0306(5) Uani 1 1 d . . .
Cl2 Cl 0.32008(17) 0.79227(13) 0.27824(10) 0.0327(5) Uani 1 1 d . . .
P1 P 0.19092(19) 0.79950(15) 0.42429(10) 0.0296(5) Uani 1 1 d . . .
P2 P 0.19803(17) 0.51114(14) 0.27697(9) 0.0241(4) Uani 1 1 d . . .
C11 C 0.1403(9) 0.7705(6) 0.4923(4) 0.039(2) Uani 1 1 d . . .
C12 C 0.0375(8) 0.7452(6) 0.4858(5) 0.039(2) Uani 1 1 d . . .
H12 H -0.0033 0.7394 0.4471 0.047 Uiso 1 1 calc R . .
C13 C -0.0055(9) 0.7286(6) 0.5359(5) 0.045(3) Uani 1 1 d . . .
H13 H -0.0745 0.7116 0.5316 0.054 Uiso 1 1 calc R . .
C14 C 0.0564(10) 0.7379(6) 0.5913(5) 0.053(3) Uani 1 1 d . . .
H14 H 0.0265 0.7300 0.6250 0.063 Uiso 1 1 calc R . .
C15 C 0.1586(11) 0.7580(6) 0.6014(4) 0.052(3) Uani 1 1 d . . .
H15 H 0.1983 0.7609 0.6405 0.062 Uiso 1 1 calc R . .
C16 C 0.2034(9) 0.7747(6) 0.5493(5) 0.048(3) Uani 1 1 d . . .
H16 H 0.2735 0.7881 0.5539 0.057 Uiso 1 1 calc R . .
C21 C 0.2062(7) 0.9203(6) 0.4239(4) 0.0289(19) Uani 1 1 d . . .
C22 C 0.2229(7) 0.9709(6) 0.4761(4) 0.035(2) Uani 1 1 d . . .
H22 H 0.2301 0.9437 0.5139 0.043 Uiso 1 1 calc R . .
C23 C 0.2288(8) 1.0632(6) 0.4719(4) 0.041(2) Uani 1 1 d . . .
H23 H 0.2410 1.0974 0.5071 0.049 Uiso 1 1 calc R . .
C24 C 0.2166(8) 1.1042(7) 0.4158(5) 0.047(3) Uani 1 1 d . . .
H24 H 0.2180 1.1659 0.4132 0.057 Uiso 1 1 calc R . .
C25 C 0.2023(8) 1.0531(6) 0.3634(4) 0.041(2) Uani 1 1 d . . .
H25 H 0.1954 1.0802 0.3257 0.049 Uiso 1 1 calc R . .
C26 C 0.1985(7) 0.9622(6) 0.3678(4) 0.031(2) Uani 1 1 d . . .
H26 H 0.1906 0.9279 0.3327 0.038 Uiso 1 1 calc R . .
N1 N 0.3245(6) 0.6621(5) 0.4380(3) 0.0363(18) Uani 1 1 d . . .
C31 C 0.3206(7) 0.7530(6) 0.4408(4) 0.033(2) Uani 1 1 d . . .
C32 C 0.4082(9) 0.8037(7) 0.4567(4) 0.048(3) Uani 1 1 d . . .
H32 H 0.4040 0.8654 0.4563 0.057 Uiso 1 1 calc R . .
C33 C 0.5049(9) 0.7607(8) 0.4737(5) 0.059(3) Uani 1 1 d . . .
H33 H 0.5655 0.7935 0.4854 0.071 Uiso 1 1 calc R . .
C34 C 0.5079(9) 0.6697(8) 0.4727(5) 0.055(3) Uani 1 1 d . . .
H34 H 0.5705 0.6398 0.4843 0.066 Uiso 1 1 calc R . .
C35 C 0.4164(8) 0.6226(7) 0.4543(4) 0.047(3) Uani 1 1 d . . .
H35 H 0.4194 0.5608 0.4532 0.057 Uiso 1 1 calc R . .
C41 C 0.1531(6) 0.4779(5) 0.1981(3) 0.0244(17) Uani 1 1 d . . .
C42 C 0.0880(7) 0.5363(6) 0.1607(4) 0.0285(19) Uani 1 1 d . . .
H42 H 0.0699 0.5899 0.1763 0.034 Uiso 1 1 calc R . .
C43 C 0.0500(7) 0.5156(6) 0.1007(4) 0.031(2) Uani 1 1 d . . .
H43 H 0.0068 0.5550 0.0756 0.037 Uiso 1 1 calc R . .
C44 C 0.0769(7) 0.4353(6) 0.0784(4) 0.032(2) Uani 1 1 d . . .
H44 H 0.0507 0.4203 0.0381 0.039 Uiso 1 1 calc R . .
C45 C 0.1424(8) 0.3768(6) 0.1154(4) 0.034(2) Uani 1 1 d . . .
H45 H 0.1604 0.3231 0.0997 0.041 Uiso 1 1 calc R . .
C46 C 0.1812(7) 0.3980(6) 0.1755(4) 0.0311(19) Uani 1 1 d . . .
H46 H 0.2255 0.3591 0.2005 0.037 Uiso 1 1 calc R . .
C51 C 0.2936(7) 0.4300(5) 0.3127(4) 0.0265(18) Uani 1 1 d . . .
C52 C 0.2664(7) 0.3422(5) 0.3192(4) 0.032(2) Uani 1 1 d . . .
H52 H 0.1977 0.3244 0.3075 0.038 Uiso 1 1 calc R . .
C53 C 0.3421(8) 0.2810(6) 0.3434(4) 0.036(2) Uani 1 1 d . . .
H53 H 0.3243 0.2217 0.3468 0.043 Uiso 1 1 calc R . .
C54 C 0.4441(8) 0.3076(6) 0.3623(4) 0.040(2) Uani 1 1 d . . .
H54 H 0.4949 0.2664 0.3785 0.049 Uiso 1 1 calc R . .
C55 C 0.4699(7) 0.3963(6) 0.3570(5) 0.042(2) Uani 1 1 d . . .
H55 H 0.5380 0.4151 0.3705 0.050 Uiso 1 1 calc R . .
C56 C 0.3947(7) 0.4568(6) 0.3316(4) 0.035(2) Uani 1 1 d . . .
H56 H 0.4125 0.5160 0.3272 0.042 Uiso 1 1 calc R . .
N2 N 0.0880(6) 0.5302(4) 0.3651(3) 0.0299(17) Uani 1 1 d . . .
C61 C 0.0833(7) 0.4928(5) 0.3096(4) 0.0268(18) Uani 1 1 d . . .
C62 C -0.0025(7) 0.4455(5) 0.2810(4) 0.0306(19) Uani 1 1 d . . .
H62 H -0.0036 0.4205 0.2431 0.037 Uiso 1 1 calc R . .
C63 C -0.0862(7) 0.4349(6) 0.3081(4) 0.034(2) Uani 1 1 d . . .
H63 H -0.1443 0.4034 0.2887 0.041 Uiso 1 1 calc R . .
C64 C -0.0824(8) 0.4717(6) 0.3640(4) 0.036(2) Uani 1 1 d . . .
H64 H -0.1380 0.4655 0.3834 0.043 Uiso 1 1 calc R . .
C65 C 0.0039(8) 0.5178(6) 0.3912(4) 0.035(2) Uani 1 1 d . . .
H65 H 0.0056 0.5419 0.4295 0.042 Uiso 1 1 calc R . .
B1 B 0.2428(6) 0.4506(7) 0.5152(3) 0.035(2) Uani 1 1 d DU . .
F1 F 0.2724(5) 0.4442(4) 0.4615(2) 0.0646(18) Uani 1 1 d D . .
F2 F 0.1695(7) 0.5199(6) 0.5095(3) 0.122(4) Uani 1 1 d D . .
F3 F 0.2166(6) 0.3809(6) 0.5381(3) 0.106(3) Uani 1 1 d D . .
F4 F 0.3275(5) 0.4905(4) 0.5571(3) 0.073(2) Uani 1 1 d D . .
C100 C 0.6685(7) 0.6105(6) 0.3201(4) 0.035(2) Uani 1 1 d . . .
H100 H 0.6823 0.6010 0.3642 0.042 Uiso 1 1 calc R . .
Cl3 Cl 0.77638(19) 0.66300(15) 0.30143(11) 0.0402(5) Uani 1 1 d . . .
Cl4 Cl 0.5558(2) 0.67532(18) 0.30008(13) 0.0518(7) Uani 1 1 d . . .
Cl5 Cl 0.6505(2) 0.50496(16) 0.28378(12) 0.0465(6) Uani 1 1 d . . .
C101 C 0.4726(10) 0.9836(10) 0.6448(6) 0.084(5) Uani 1 1 d . . .
H101 H 0.5323 0.9716 0.6776 0.101 Uiso 1 1 calc R . .
Cl6 Cl 0.5096(3) 0.9584(2) 0.57692(16) 0.0761(10) Uani 1 1 d . . .
Cl7 Cl 0.3719(3) 0.9160(2) 0.65691(18) 0.0877(12) Uani 1 1 d . . .
Cl8 Cl 0.4418(3) 1.0940(3) 0.6495(2) 0.1008(15) Uani 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'
B B 0.0013 0.0007 '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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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
P1 Au1 Cl1 174.10(8) . . y
P1 Au1 Cu1 71.80(6) . . y
Cl1 Au1 Cu1 113.98(6) . . y
P1 Au1 Au2 100.60(6) . . y
Cl1 Au1 Au2 83.76(5) . . y
Cu1 Au1 Au2 60.51(2) . . y
P2 Au2 Cl2 172.97(8) . . y
P2 Au2 Cu1 70.29(6) . . y
Cl2 Au2 Cu1 116.50(6) . . y
P2 Au2 Au1 103.19(6) . . y
Cl2 Au2 Au1 82.64(6) . . y
Cu1 Au2 Au1 58.39(2) . . y
N2 Cu1 N1 176.1(3) . . y
N2 Cu1 Au1 84.0(2) . . y
N1 Cu1 Au1 94.3(2) . . y
N2 Cu1 Au2 91.7(2) . . y
N1 Cu1 Au2 84.4(2) . . y
Au1 Cu1 Au2 61.09(2) . . y
C31 P1 C21 106.5(4) . . ?
C31 P1 C11 102.9(4) . . ?
C21 P1 C11 107.4(4) . . ?
C31 P1 Au1 114.0(3) . . ?
C21 P1 Au1 112.0(3) . . ?
C11 P1 Au1 113.3(4) . . ?
C51 P2 C41 107.8(4) . . ?
C51 P2 C61 106.0(4) . . ?
C41 P2 C61 102.5(4) . . ?
C51 P2 Au2 114.5(3) . . ?
C41 P2 Au2 110.9(3) . . ?
C61 P2 Au2 114.3(3) . . ?
C16 C11 C12 120.1(9) . . ?
C16 C11 P1 120.7(9) . . ?
C12 C11 P1 119.3(7) . . ?
C13 C12 C11 121.2(10) . . ?
C14 C13 C12 117.5(11) . . ?
C13 C14 C15 124.8(11) . . ?
C14 C15 C16 117.5(10) . . ?
C11 C16 C15 118.7(11) . . ?
C22 C21 C26 119.4(8) . . ?
C22 C21 P1 122.9(7) . . ?
C26 C21 P1 117.7(6) . . ?
C21 C22 C23 119.5(8) . . ?
C24 C23 C22 120.5(9) . . ?
C23 C24 C25 119.8(9) . . ?
C26 C25 C24 119.5(9) . . ?
C25 C26 C21 121.1(8) . . ?
C35 N1 C31 118.3(9) . . ?
C35 N1 Cu1 120.6(7) . . ?
C31 N1 Cu1 120.8(6) . . ?
C32 C31 N1 122.0(8) . . ?
C32 C31 P1 123.3(7) . . ?
N1 C31 P1 114.7(7) . . ?
C31 C32 C33 118.9(10) . . ?
C34 C33 C32 118.7(11) . . ?
C33 C34 C35 119.3(10) . . ?
N1 C35 C34 122.7(10) . . ?
C46 C41 C42 120.4(8) . . ?
C46 C41 P2 122.4(6) . . ?
C42 C41 P2 117.1(6) . . ?
C43 C42 C41 120.6(8) . . ?
C42 C43 C44 119.0(8) . . ?
C43 C44 C45 120.8(8) . . ?
C46 C45 C44 120.1(8) . . ?
C45 C46 C41 119.0(8) . . ?
C56 C51 C52 120.2(8) . . ?
C56 C51 P2 118.7(6) . . ?
C52 C51 P2 121.1(7) . . ?
C51 C52 C53 119.7(9) . . ?
C54 C53 C52 120.4(8) . . ?
C53 C54 C55 119.3(9) . . ?
C56 C55 C54 120.1(9) . . ?
C51 C56 C55 120.2(8) . . ?
C61 N2 C65 116.6(8) . . ?
C61 N2 Cu1 121.5(6) . . ?
C65 N2 Cu1 121.9(6) . . ?
N2 C61 C62 121.4(8) . . ?
N2 C61 P2 114.7(7) . . ?
C62 C61 P2 123.8(6) . . ?
C63 C62 C61 120.6(8) . . ?
C64 C63 C62 118.6(9) . . ?
C65 C64 C63 119.4(9) . . ?
C64 C65 N2 123.4(8) . . ?
F3 B1 F1 117.8(9) . . ?
F3 B1 F2 114.7(8) . . ?
F1 B1 F2 106.7(6) . . ?
F3 B1 F4 108.8(6) . . ?
F1 B1 F4 106.9(7) . . ?
F2 B1 F4 100.2(7) . . ?
Cl3 C100 Cl4 111.9(5) . . ?
Cl3 C100 Cl5 109.4(5) . . ?
Cl4 C100 Cl5 110.5(5) . . ?
Cl8 C101 Cl7 111.1(8) . . ?
Cl8 C101 Cl6 112.2(9) . . ?
Cl7 C101 Cl6 111.6(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
Au1 P1 2.226(2) . y
Au1 Cl1 2.296(2) . y
Au1 Cu1 2.9827(11) . y
Au1 Au2 3.0658(5) . y
Au2 P2 2.233(2) . y
Au2 Cl2 2.297(2) . y
Au2 Cu1 3.0485(11) . y
Cu1 N2 1.888(8) . y
Cu1 N1 1.892(8) . y
P1 C31 1.814(9) . ?
P1 C21 1.828(9) . ?
P1 C11 1.840(9) . ?
P2 C51 1.820(8) . ?
P2 C41 1.824(8) . ?
P2 C61 1.830(9) . ?
C11 C16 1.382(14) . ?
C11 C12 1.387(14) . ?
C12 C13 1.382(13) . ?
C13 C14 1.352(15) . ?
C14 C15 1.353(17) . ?
C15 C16 1.436(15) . ?
C21 C22 1.380(11) . ?
C21 C26 1.397(12) . ?
C22 C23 1.394(13) . ?
C23 C24 1.386(14) . ?
C24 C25 1.387(14) . ?
C25 C26 1.372(12) . ?
N1 C35 1.332(12) . ?
N1 C31 1.370(11) . ?
C31 C32 1.369(14) . ?
C32 C33 1.411(15) . ?
C33 C34 1.370(15) . ?
C34 C35 1.386(15) . ?
C41 C46 1.383(11) . ?
C41 C42 1.385(11) . ?
C42 C43 1.376(11) . ?
C43 C44 1.380(12) . ?
C44 C45 1.386(12) . ?
C45 C46 1.383(12) . ?
C51 C56 1.374(12) . ?
C51 C52 1.383(11) . ?
C52 C53 1.385(12) . ?
C53 C54 1.384(13) . ?
C54 C55 1.389(13) . ?
C55 C56 1.382(12) . ?
N2 C61 1.360(10) . ?
N2 C65 1.368(11) . ?
C61 C62 1.379(12) . ?
C62 C63 1.373(12) . ?
C63 C64 1.366(12) . ?
C64 C65 1.366(13) . ?
B1 F3 1.246(10) . ?
B1 F1 1.347(9) . ?
B1 F2 1.410(9) . ?
B1 F4 1.438(10) . ?
C100 Cl3 1.750(9) . ?
C100 Cl4 1.757(9) . ?
C100 Cl5 1.779(9) . ?
C101 Cl8 1.718(15) . ?
C101 Cl7 1.736(16) . ?
C101 Cl6 1.737(14) . ?
