#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:24:27 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179894 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/90/7019008.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_7019008
loop_
_publ_author_name
'Less, Robert J.'
'Guan, Bihan'
'Muresan, Nicoleta M.'
'McPartlin, Mary'
'Reisner, Erwin'
'Wilson, Thomas C.'
'Wright, Dominic S.'
_publ_section_title
;
 Group 11 complexes containing the [C5(CN)5]− ligand;
 ‘coordination-analogues’ of molecular organometallic
 systems
;
_journal_issue                   19
_journal_name_full               'Dalton Transactions'
_journal_page_first              5919
_journal_paper_doi               10.1039/c2dt30274h
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C92 H60 Ag2 N10 P4, C H Cl3'
_chemical_formula_sum            'C93 H61 Ag2 Cl3 N10 P4'
_chemical_formula_weight         1764.49
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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                97.866(1)
_cell_angle_beta                 100.456(1)
_cell_angle_gamma                112.374(1)
_cell_formula_units_Z            1
_cell_length_a                   10.9813(1)
_cell_length_b                   12.7250(2)
_cell_length_c                   16.8652(3)
_cell_measurement_reflns_used    23903
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      33.14
_cell_measurement_theta_min      1.00
_cell_volume                     2087.41(6)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius B.V. 1998)'
_computing_data_reduction
;
HKL Denzo and Scalepack (Otwinowski & Minor 1997)
;
_computing_publication_material  'SHELXL-97 (Sheldrick 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick 1997)'
_computing_structure_solution    'SIR-92 (Altomare et al. 1994)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'Thin slice ω and φ scans'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0478
_diffrn_reflns_av_sigmaI/netI    0.0750
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            39087
_diffrn_reflns_theta_full        33.19
_diffrn_reflns_theta_max         33.19
_diffrn_reflns_theta_min         3.56
_exptl_absorpt_coefficient_mu    0.695
_exptl_absorpt_correction_T_max  0.943
_exptl_absorpt_correction_T_min  0.857
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements
Sortav (Blessing 1995)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.404
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             894
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.739
_refine_diff_density_min         -1.133
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     501
_refine_ls_number_reflns         15808
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0939
_refine_ls_R_factor_gt           0.0541
_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)+(0.0712P)²+0.3282P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1299
_refine_ls_wR_factor_ref         0.1469
_reflns_number_gt                10572
_reflns_number_total             15808
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30274h.txt
_cod_data_source_block           dw1175
_cod_original_cell_volume        2087.41(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7019008
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
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.097680(19) 0.117596(16) 0.219703(12) 0.02699(6) Uani 1 1 d . . .
P1 P -0.11316(7) -0.02516(6) 0.24138(4) 0.02711(14) Uani 1 1 d . . .
P2 P 0.28842(6) 0.27579(5) 0.32121(4) 0.02370(13) Uani 1 1 d . . .
N1 N 0.0097(3) 0.1965(2) 0.11572(16) 0.0431(6) Uani 1 1 d . . .
N2 N -0.1628(3) 0.0100(2) -0.13748(18) 0.0429(6) Uani 1 1 d . . .
N3 N -0.3091(3) 0.2259(3) -0.28164(18) 0.0565(8) Uani 1 1 d . . .
N4 N -0.2610(3) 0.5353(3) -0.1097(2) 0.0529(7) Uani 1 1 d . . .
N5 N -0.0751(3) 0.5182(3) 0.14799(18) 0.0498(7) Uani 1 1 d . . .
C11 C -0.1080(3) 0.2684(2) 0.00398(16) 0.0282(5) Uani 1 1 d . . .
C12 C -0.1574(3) 0.2093(2) -0.07987(16) 0.0285(5) Uani 1 1 d . . .
C13 C -0.2114(3) 0.2744(2) -0.12368(17) 0.0303(5) Uani 1 1 d . . .
C14 C -0.1972(3) 0.3728(2) -0.06724(18) 0.0305(5) Uani 1 1 d . . .
C15 C -0.1326(3) 0.3697(2) 0.01184(17) 0.0296(5) Uani 1 1 d . . .
C21 C -0.0427(3) 0.2308(2) 0.06772(18) 0.0328(6) Uani 1 1 d . . .
C22 C -0.1590(3) 0.0997(2) -0.11202(17) 0.0321(5) Uani 1 1 d . . .
C23 C -0.2668(3) 0.2466(3) -0.21131(19) 0.0369(6) Uani 1 1 d . . .
C24 C -0.2329(3) 0.4638(3) -0.0895(2) 0.0368(6) Uani 1 1 d . . .
C25 C -0.1009(3) 0.4522(2) 0.08726(19) 0.0345(6) Uani 1 1 d . . .
C31 C -0.2243(3) -0.1405(2) 0.15122(19) 0.0334(6) Uani 1 1 d . . .
C32 C -0.3229(3) -0.2451(3) 0.1572(2) 0.0443(7) Uani 1 1 d . . .
H32 H -0.3357 -0.2574 0.2100 0.053 Uiso 1 1 calc R . .
C33 C -0.4028(4) -0.3315(3) 0.0867(3) 0.0561(10) Uani 1 1 d . . .
H33 H -0.4715 -0.4018 0.0913 0.067 Uiso 1 1 calc R . .
C34 C -0.3835(4) -0.3163(3) 0.0105(3) 0.0637(11) Uani 1 1 d . . .
H34 H -0.4377 -0.3765 -0.0374 0.076 Uiso 1 1 calc R . .
C35 C -0.2852(4) -0.2133(4) 0.0030(2) 0.0621(11) Uani 1 1 d . . .
H35 H -0.2729 -0.2024 -0.0501 0.075 Uiso 1 1 calc R . .
C36 C -0.2045(3) -0.1260(3) 0.0731(2) 0.0431(7) Uani 1 1 d . . .
H36 H -0.1357 -0.0561 0.0680 0.052 Uiso 1 1 calc R . .
C41 C -0.0820(3) -0.1045(2) 0.31937(18) 0.0300(5) Uani 1 1 d . . .
C42 C -0.1192(3) -0.0965(2) 0.39379(18) 0.0347(6) Uani 1 1 d . . .
H42 H -0.1708 -0.0531 0.4040 0.042 Uiso 1 1 calc R . .
C43 C -0.0816(3) -0.1513(3) 0.4532(2) 0.0412(7) Uani 1 1 d . . .
H43 H -0.1076 -0.1453 0.5038 0.049 Uiso 1 1 calc R . .
C44 C -0.0061(3) -0.2148(3) 0.4390(2) 0.0426(7) Uani 1 1 d . . .
H44 H 0.0199 -0.2522 0.4798 0.051 Uiso 1 1 calc R . .
C45 C 0.0310(4) -0.2233(3) 0.3655(2) 0.0477(8) Uani 1 1 d . . .
H45 H 0.0830 -0.2664 0.3557 0.057 Uiso 1 1 calc R . .
C46 C -0.0067(3) -0.1696(3) 0.3062(2) 0.0403(7) Uani 1 1 d . . .
H46 H 0.0189 -0.1767 0.2556 0.048 Uiso 1 1 calc R . .
C51 C -0.2141(3) 0.0462(2) 0.27939(18) 0.0318(5) Uani 1 1 d . . .
C52 C -0.1485(3) 0.1649(3) 0.3129(2) 0.0453(8) Uani 1 1 d . . .
H52 H -0.0553 0.2056 0.3141 0.054 Uiso 1 1 calc R . .
C53 C -0.2176(4) 0.2254(3) 0.3450(3) 0.0601(10) Uani 1 1 d . . .
H53 H -0.1721 0.3073 0.3667 0.072 Uiso 1 1 calc R . .
C54 C -0.3516(4) 0.1668(3) 0.3453(2) 0.0510(8) Uani 1 1 d . . .
H54 H -0.3978 0.2075 0.3691 0.061 Uiso 1 1 calc R . .
C55 C -0.4190(4) 0.0483(3) 0.3109(3) 0.0515(9) Uani 1 1 d . . .
H55 H -0.5123 0.0080 0.3096 0.062 Uiso 1 1 calc R . .
C56 C -0.3503(3) -0.0124(3) 0.2778(2) 0.0436(7) Uani 1 1 d . . .
H56 H -0.3969 -0.0938 0.2542 0.052 Uiso 1 1 calc R . .
C61 C 0.4395(3) 0.3693(2) 0.29307(16) 0.0285(5) Uani 1 1 d . . .
C62 C 0.4885(3) 0.3195(3) 0.2353(2) 0.0420(7) Uani 1 1 d . . .
H62 H 0.4399 0.2392 0.2088 0.050 Uiso 1 1 calc R . .
C63 C 0.6068(4) 0.3853(3) 0.2156(3) 0.0563(10) Uani 1 1 d . . .
H63 H 0.6400 0.3498 0.1765 0.068 Uiso 1 1 calc R . .
C64 C 0.6770(4) 0.5024(3) 0.2527(3) 0.0560(9) Uani 1 1 d . . .
H64 H 0.7583 0.5473 0.2388 0.067 Uiso 1 1 calc R . .
C65 C 0.6300(3) 0.5551(3) 0.3102(2) 0.0478(8) Uani 1 1 d . . .
H65 H 0.6789 0.6356 0.3360 0.057 Uiso 1 1 calc R . .
C66 C 0.5101(3) 0.4882(3) 0.3295(2) 0.0396(7) Uani 1 1 d . . .
H66 H 0.4760 0.5240 0.3679 0.048 Uiso 1 1 calc R . .
C71 C 0.3586(3) 0.2244(2) 0.40637(15) 0.0249(5) Uani 1 1 d . . .
C72 C 0.4708(3) 0.2981(2) 0.47097(17) 0.0314(5) Uani 1 1 d . . .
H72 H 0.5132 0.3789 0.4719 0.038 Uiso 1 1 calc R . .
C73 C 0.5211(3) 0.2545(3) 0.53400(18) 0.0367(6) Uani 1 1 d . . .
H73 H 0.5967 0.3057 0.5783 0.044 Uiso 1 1 calc R . .
C74 C 0.4610(3) 0.1362(3) 0.53237(19) 0.0402(7) Uani 1 1 d . . .
H74 H 0.4961 0.1063 0.5753 0.048 Uiso 1 1 calc R . .
C75 C 0.3506(3) 0.0621(3) 0.4684(2) 0.0412(7) Uani 1 1 d . . .
H75 H 0.3095 -0.0188 0.4674 0.049 Uiso 1 1 calc R . .
C76 C 0.2990(3) 0.1053(2) 0.40543(18) 0.0319(5) Uani 1 1 d . . .
H76 H 0.2228 0.0538 0.3615 0.038 Uiso 1 1 calc R . .
C81 C 0.2274(3) 0.3779(2) 0.36751(16) 0.0260(5) Uani 1 1 d . . .
C82 C 0.1665(3) 0.4287(2) 0.31385(19) 0.0365(6) Uani 1 1 d . . .
H82 H 0.1634 0.4125 0.2566 0.044 Uiso 1 1 calc R . .
C83 C 0.1111(3) 0.5018(3) 0.3430(2) 0.0413(7) Uani 1 1 d . . .
H83 H 0.0689 0.5351 0.3059 0.050 Uiso 1 1 calc R . .
C84 C 0.1169(3) 0.5271(3) 0.4270(2) 0.0412(7) Uani 1 1 d . . .
H84 H 0.0798 0.5786 0.4472 0.049 Uiso 1 1 calc R . .
C85 C 0.1761(3) 0.4779(3) 0.48063(19) 0.0375(6) Uani 1 1 d . . .
H85 H 0.1793 0.4949 0.5378 0.045 Uiso 1 1 calc R . .
C86 C 0.2315(3) 0.4028(2) 0.45140(17) 0.0300(5) Uani 1 1 d . . .
H86 H 0.2722 0.3688 0.4887 0.036 Uiso 1 1 calc R . .
C01 C -0.4394(14) -0.0020(11) 0.0052(8) 0.1406(8) Uiso 0.50 1 d PD A -1
H01 H -0.3520 -0.0089 0.0039 0.169 Uiso 0.50 1 calc PR A -1
Cl1 Cl -0.5075(5) 0.0058(4) -0.0899(3) 0.1406(8) Uiso 0.50 1 d PD A -1
Cl2 Cl -0.5392(5) -0.1212(4) 0.0362(3) 0.1406(8) Uiso 0.50 1 d PD A -1
Cl3 Cl -0.3993(5) 0.1236(4) 0.0841(3) 0.1406(8) Uiso 0.50 1 d PD A -1
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 '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
N1 Ag1 N2 99.91(10) . 2
N1 Ag1 P2 108.70(7) . .
N2 Ag1 P2 113.66(7) 2 .
N1 Ag1 P1 101.56(7) . .
N2 Ag1 P1 100.22(7) 2 .
P2 Ag1 P1 128.73(2) . .
C31 P1 C51 107.53(13) . .
C31 P1 C41 103.47(13) . .
C51 P1 C41 104.78(12) . .
C31 P1 Ag1 115.56(9) . .
C51 P1 Ag1 111.39(9) . .
C41 P1 Ag1 113.25(9) . .
C81 P2 C71 105.95(11) . .
C81 P2 C61 103.70(12) . .
C71 P2 C61 103.20(12) . .
C81 P2 Ag1 108.65(9) . .
C71 P2 Ag1 112.00(8) . .
C61 P2 Ag1 122.04(9) . .
C21 N1 Ag1 174.2(3) . .
C22 N2 Ag1 153.0(2) . 2
C12 C11 C15 108.1(2) . .
C12 C11 C21 124.6(2) . .
C15 C11 C21 127.3(2) . .
C13 C12 C11 107.8(2) . .
C13 C12 C22 126.9(3) . .
C11 C12 C22 125.2(2) . .
C14 C13 C12 108.3(2) . .
C14 C13 C23 126.3(3) . .
C12 C13 C23 125.4(3) . .
C13 C14 C15 108.1(2) . .
C13 C14 C24 124.6(3) . .
C15 C14 C24 127.1(3) . .
C14 C15 C11 107.8(2) . .
C14 C15 C25 126.4(2) . .
C11 C15 C25 125.8(3) . .
N1 C21 C11 176.5(3) . .
N2 C22 C12 178.5(3) . .
N3 C23 C13 178.8(4) . .
N4 C24 C14 177.8(4) . .
N5 C25 C15 179.7(4) . .
C32 C31 C36 118.7(3) . .
C32 C31 P1 122.7(2) . .
C36 C31 P1 118.6(2) . .
C33 C32 C31 120.4(3) . .
C33 C32 H32 119.8 . .
C31 C32 H32 119.8 . .
C34 C33 C32 120.5(3) . .
C34 C33 H33 119.7 . .
C32 C33 H33 119.7 . .
C33 C34 C35 120.1(4) . .
C33 C34 H34 119.9 . .
C35 C34 H34 119.9 . .
C34 C35 C36 120.0(4) . .
C34 C35 H35 120.0 . .
C36 C35 H35 120.0 . .
C35 C36 C31 120.3(3) . .
C35 C36 H36 119.9 . .
C31 C36 H36 119.9 . .
C42 C41 C46 118.3(3) . .
C42 C41 P1 123.8(2) . .
C46 C41 P1 117.8(2) . .
C43 C42 C41 120.5(3) . .
C43 C42 H42 119.7 . .
C41 C42 H42 119.7 . .
C42 C43 C44 120.2(3) . .
C42 C43 H43 119.9 . .
C44 C43 H43 119.9 . .
C45 C44 C43 119.6(3) . .
C45 C44 H44 120.2 . .
C43 C44 H44 120.2 . .
C46 C45 C44 120.4(3) . .
C46 C45 H45 119.8 . .
C44 C45 H45 119.8 . .
C45 C46 C41 121.1(3) . .
C45 C46 H46 119.5 . .
C41 C46 H46 119.5 . .
C52 C51 C56 119.2(3) . .
C52 C51 P1 117.1(2) . .
C56 C51 P1 123.6(2) . .
C51 C52 C53 120.7(3) . .
C51 C52 H52 119.7 . .
C53 C52 H52 119.7 . .
C54 C53 C52 120.1(3) . .
C54 C53 H53 120.0 . .
C52 C53 H53 120.0 . .
C53 C54 C55 119.7(3) . .
C53 C54 H54 120.1 . .
C55 C54 H54 120.1 . .
C54 C55 C56 120.2(3) . .
C54 C55 H55 119.9 . .
C56 C55 H55 119.9 . .
C51 C56 C55 120.0(3) . .
C51 C56 H56 120.0 . .
C55 C56 H56 120.0 . .
C62 C61 C66 118.7(3) . .
C62 C61 P2 118.7(2) . .
C66 C61 P2 122.5(2) . .
C63 C62 C61 120.8(3) . .
C63 C62 H62 119.6 . .
C61 C62 H62 119.6 . .
C64 C63 C62 120.1(3) . .
C64 C63 H63 120.0 . .
C62 C63 H63 120.0 . .
C63 C64 C65 120.5(3) . .
C63 C64 H64 119.7 . .
C65 C64 H64 119.7 . .
C64 C65 C66 119.1(3) . .
C64 C65 H65 120.5 . .
C66 C65 H65 120.5 . .
C65 C66 C61 120.7(3) . .
C65 C66 H66 119.6 . .
C61 C66 H66 119.6 . .
C72 C71 C76 118.8(2) . .
C72 C71 P2 122.74(19) . .
C76 C71 P2 118.4(2) . .
C73 C72 C71 120.5(3) . .
C73 C72 H72 119.7 . .
C71 C72 H72 119.7 . .
C72 C73 C74 120.1(3) . .
C72 C73 H73 120.0 . .
C74 C73 H73 120.0 . .
C75 C74 C73 119.9(3) . .
C75 C74 H74 120.0 . .
C73 C74 H74 120.0 . .
C74 C75 C76 120.3(3) . .
C74 C75 H75 119.9 . .
C76 C75 H75 119.9 . .
C75 C76 C71 120.3(3) . .
C75 C76 H76 119.8 . .
C71 C76 H76 119.8 . .
C86 C81 C82 118.9(2) . .
C86 C81 P2 124.1(2) . .
C82 C81 P2 116.9(2) . .
C83 C82 C81 120.7(3) . .
C83 C82 H82 119.7 . .
C81 C82 H82 119.7 . .
C82 C83 C84 120.0(3) . .
C82 C83 H83 120.0 . .
C84 C83 H83 120.0 . .
C85 C84 C83 120.1(3) . .
C85 C84 H84 119.9 . .
C83 C84 H84 119.9 . .
C84 C85 C86 120.2(3) . .
C84 C85 H85 119.9 . .
C86 C85 H85 119.9 . .
C81 C86 C85 120.1(3) . .
C81 C86 H86 120.0 . .
C85 C86 H86 120.0 . .
Cl1 C01 Cl2 113.5(8) . .
Cl1 C01 Cl3 114.2(8) . .
Cl2 C01 Cl3 107.3(7) . .
Cl1 C01 H01 107.1 . .
Cl2 C01 H01 107.1 . .
Cl3 C01 H01 107.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N1 2.371(3) .
Ag1 N2 2.387(2) 2
Ag1 P2 2.4322(7) .
Ag1 P1 2.4661(7) .
P1 C31 1.819(3) .
P1 C51 1.825(3) .
P1 C41 1.825(3) .
P2 C81 1.823(2) .
P2 C71 1.823(3) .
P2 C61 1.825(3) .
N1 C21 1.138(4) .
N2 C22 1.146(4) .
N2 Ag1 2.387(2) 2
N3 C23 1.146(4) .
N4 C24 1.140(4) .
N5 C25 1.146(4) .
C11 C12 1.407(4) .
C11 C15 1.408(4) .
C11 C21 1.422(4) .
C12 C13 1.403(4) .
C12 C22 1.417(4) .
C13 C14 1.403(4) .
C13 C23 1.430(4) .
C14 C15 1.405(4) .
C14 C24 1.431(4) .
C15 C25 1.427(4) .
C31 C32 1.391(4) .
C31 C36 1.399(4) .
C32 C33 1.386(5) .
C32 H32 0.9500 .
C33 C34 1.367(6) .
C33 H33 0.9500 .
C34 C35 1.384(5) .
C34 H34 0.9500 .
C35 C36 1.389(5) .
C35 H35 0.9500 .
C36 H36 0.9500 .
C41 C42 1.392(4) .
C41 C46 1.398(4) .
C42 C43 1.386(4) .
C42 H42 0.9500 .
C43 C44 1.389(4) .
C43 H43 0.9500 .
C44 C45 1.377(5) .
C44 H44 0.9500 .
C45 C46 1.374(4) .
C45 H45 0.9500 .
C46 H46 0.9500 .
C51 C52 1.381(4) .
C51 C56 1.388(4) .
C52 C53 1.394(4) .
C52 H52 0.9500 .
C53 C54 1.375(5) .
C53 H53 0.9500 .
C54 C55 1.383(5) .
C54 H54 0.9500 .
C55 C56 1.399(4) .
C55 H55 0.9500 .
C56 H56 0.9500 .
C61 C62 1.387(4) .
C61 C66 1.395(4) .
C62 C63 1.380(4) .
C62 H62 0.9500 .
C63 C64 1.379(6) .
C63 H63 0.9500 .
C64 C65 1.387(5) .
C64 H64 0.9500 .
C65 C66 1.394(4) .
C65 H65 0.9500 .
C66 H66 0.9500 .
C71 C72 1.392(4) .
C71 C76 1.400(3) .
C72 C73 1.387(4) .
C72 H72 0.9500 .
C73 C74 1.389(4) .
C73 H73 0.9500 .
C74 C75 1.379(5) .
C74 H74 0.9500 .
C75 C76 1.389(4) .
C75 H75 0.9500 .
C76 H76 0.9500 .
C81 C86 1.395(4) .
C81 C82 1.397(4) .
C82 C83 1.376(4) .
C82 H82 0.9500 .
C83 C84 1.393(5) .
C83 H83 0.9500 .
C84 C85 1.373(4) .
C84 H84 0.9500 .
C85 C86 1.396(4) .
C85 H85 0.9500 .
C86 H86 0.9500 .
C01 Cl1 1.676(13) .
C01 Cl2 1.713(13) .
C01 Cl3 1.785(13) .
C01 H01 1.0000 .
