#------------------------------------------------------------------------------
#$Date: 2016-11-08 22:07:43 +0200 (Tue, 08 Nov 2016) $
#$Revision: 188239 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/06/7040697.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_7040697
loop_
_publ_author_name
'Liu, Rui'
'Zhu, Kongtao'
'Zhong, Xianghong'
'Li, Jiancheng'
'Liu, Zhenyu'
'Chen, Shibing'
'Zhu, Hongping'
_publ_section_title
;
 Chromium complexes bearing amidinato-phosphino ligand: synthesis,
 characterization, and catalytic properties of ethylene
 tri-/tetramerization and polymerization.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17020
_journal_page_last               17029
_journal_paper_doi               10.1039/c6dt03216h
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C49 H56 Cl Cr N2 O0 P'
_chemical_formula_weight         791.38
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-09-10 deposited with the CCDC.
2016-09-22 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 122.928(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   33.421(2)
_cell_length_b                   13.0286(8)
_cell_length_c                   23.9827(15)
_cell_measurement_reflns_used    3000
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.2990
_cell_measurement_theta_min      3.4230
_cell_volume                     8765.2(11)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0520
_diffrn_reflns_av_sigmaI/netI    0.0807
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            18928
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.26
_exptl_absorpt_coefficient_mu    0.393
_exptl_absorpt_correction_T_max  0.9255
_exptl_absorpt_correction_T_min  0.8586
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   empirical
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.199
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3360
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.379
_refine_diff_density_min         -0.342
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         8600
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.1080
_refine_ls_R_factor_gt           0.0703
_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)+(0.0562P)²+17.4407P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1494
_refine_ls_wR_factor_ref         0.1638
_reflns_number_gt                5969
_reflns_number_total             8600
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt03216h1.cif
_cod_data_source_block           lr-150909
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

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

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7040694--7040697.cif.
;
_cod_original_cell_volume        8765.2(10)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7040697
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
P1 P 0.06085(3) 0.61952(8) 0.37352(5) 0.0315(2) Uani 1 1 d .
Cl1 Cl -0.02827(3) 0.41656(8) 0.29106(4) 0.0318(2) Uani 1 1 d .
Cr1 Cr 0.054312(18) 0.42442(5) 0.32305(2) 0.02596(16) Uani 1 1 d .
N2 N 0.12241(9) 0.3671(2) 0.37020(13) 0.0263(7) Uani 1 1 d .
N1 N 0.09009(10) 0.4135(2) 0.42422(13) 0.0289(7) Uani 1 1 d .
C1 C 0.13104(12) 0.3854(3) 0.43053(16) 0.0276(8) Uani 1 1 d .
C2 C 0.17977(13) 0.3771(3) 0.49711(17) 0.0365(9) Uani 1 1 d .
C3 C 0.18254(18) 0.2760(4) 0.5300(2) 0.0720(17) Uani 1 1 d .
H3A H 0.1556 0.2704 0.5353 0.108 Uiso 1 1 calc R
H3B H 0.2125 0.2727 0.5736 0.108 Uiso 1 1 calc R
H3C H 0.1814 0.2194 0.5022 0.108 Uiso 1 1 calc R
C4 C 0.22077(15) 0.3831(6) 0.4863(2) 0.095(2) Uani 1 1 d .
H4A H 0.2512 0.3844 0.5294 0.142 Uiso 1 1 calc R
H4B H 0.2176 0.4457 0.4615 0.142 Uiso 1 1 calc R
H4C H 0.2198 0.3231 0.4610 0.142 Uiso 1 1 calc R
C5 C 0.18793(15) 0.4660(4) 0.5435(2) 0.0607(14) Uani 1 1 d .
H5A H 0.1665 0.4590 0.5593 0.091 Uiso 1 1 calc R
H5B H 0.1814 0.5311 0.5195 0.091 Uiso 1 1 calc R
H5C H 0.2211 0.4652 0.5815 0.091 Uiso 1 1 calc R
C6 C 0.14746(11) 0.3028(3) 0.35122(16) 0.0274(8) Uani 1 1 d .
C7 C 0.14255(12) 0.1953(3) 0.35225(16) 0.0308(8) Uani 1 1 d .
C8 C 0.16534(14) 0.1334(3) 0.32975(18) 0.0425(10) Uani 1 1 d .
H8A H 0.1631 0.0608 0.3308 0.051 Uiso 1 1 calc R
C9 C 0.19098(14) 0.1769(4) 0.30604(19) 0.0460(11) Uani 1 1 d .
H9A H 0.2063 0.1341 0.2910 0.055 Uiso 1 1 calc R
C10 C 0.19445(14) 0.2812(4) 0.30410(19) 0.0421(10) Uani 1 1 d .
H10A H 0.2120 0.3099 0.2873 0.051 Uiso 1 1 calc R
C11 C 0.17300(12) 0.3459(3) 0.32608(17) 0.0345(9) Uani 1 1 d .
C12 C 0.08141(12) 0.4702(3) 0.46670(16) 0.0305(8) Uani 1 1 d .
C13 C 0.08078(14) 0.4261(3) 0.51876(18) 0.0414(10) Uani 1 1 d .
H13A H 0.0879 0.3552 0.5282 0.050 Uiso 1 1 calc R
C14 C 0.06998(16) 0.4838(4) 0.5568(2) 0.0506(12) Uani 1 1 d .
H14A H 0.0702 0.4525 0.5927 0.061 Uiso 1 1 calc R
C15 C 0.05890(16) 0.5861(4) 0.5436(2) 0.0548(12) Uani 1 1 d .
H15A H 0.0526 0.6262 0.5710 0.066 Uiso 1 1 calc R
C16 C 0.05709(15) 0.6297(3) 0.4899(2) 0.0470(11) Uani 1 1 d .
H16A H 0.0483 0.6998 0.4795 0.056 Uiso 1 1 calc R
C17 C 0.06796(12) 0.5729(3) 0.45053(17) 0.0324(8) Uani 1 1 d .
C18 C 0.01690(13) 0.7219(3) 0.34912(18) 0.0352(9) Uani 1 1 d .
C19 C -0.02769(15) 0.6954(3) 0.3351(2) 0.0548(12) Uani 1 1 d .
H19A H -0.0345 0.6255 0.3379 0.066 Uiso 1 1 calc R
C20 C -0.06273(16) 0.7690(4) 0.3171(3) 0.0612(14) Uani 1 1 d .
H20A H -0.0930 0.7495 0.3086 0.073 Uiso 1 1 calc R
C21 C -0.05375(17) 0.8690(4) 0.3117(2) 0.0597(13) Uani 1 1 d .
H21A H -0.0777 0.9196 0.2991 0.072 Uiso 1 1 calc R
C22 C -0.01051(18) 0.8956(4) 0.3246(3) 0.0725(16) Uani 1 1 d .
H22A H -0.0042 0.9655 0.3208 0.087 Uiso 1 1 calc R
C23 C 0.02475(16) 0.8232(4) 0.3432(2) 0.0574(13) Uani 1 1 d .
H23A H 0.0549 0.8440 0.3519 0.069 Uiso 1 1 calc R
C24 C 0.11566(13) 0.6906(3) 0.39883(19) 0.0353(9) Uani 1 1 d .
C25 C 0.14374(14) 0.7390(3) 0.4596(2) 0.0462(11) Uani 1 1 d .
H25A H 0.1357 0.7344 0.4920 0.055 Uiso 1 1 calc R
C26 C 0.18392(15) 0.7946(4) 0.4735(2) 0.0572(13) Uani 1 1 d .
H26A H 0.2035 0.8264 0.5156 0.069 Uiso 1 1 calc R
C27 C 0.19506(16) 0.8034(4) 0.4271(3) 0.0620(14) Uani 1 1 d .
H27A H 0.2218 0.8432 0.4363 0.074 Uiso 1 1 calc R
C28 C 0.16782(17) 0.7552(4) 0.3669(3) 0.0643(14) Uani 1 1 d .
H28A H 0.1760 0.7606 0.3347 0.077 Uiso 1 1 calc R
C29 C 0.12830(16) 0.6985(4) 0.3530(2) 0.0515(12) Uani 1 1 d .
H29A H 0.1097 0.6646 0.3114 0.062 Uiso 1 1 calc R
C30 C 0.0929(3) 0.9345(5) 0.5373(4) 0.116(3) Uani 1 1 d .
H30A H 0.0813 0.9111 0.4921 0.174 Uiso 1 1 calc R
H30B H 0.1262 0.9131 0.5673 0.174 Uiso 1 1 calc R
H30C H 0.0909 1.0095 0.5377 0.174 Uiso 1 1 calc R
C31 C 0.0639(3) 0.8896(4) 0.5593(3) 0.0811(19) Uani 1 1 d .
C32 C 0.0159(3) 0.8756(5) 0.5148(3) 0.086(2) Uani 1 1 d .
H32A H 0.0012 0.8951 0.4696 0.103 Uiso 1 1 calc R
C33 C -0.0107(3) 0.8320(5) 0.5376(5) 0.117(3) Uani 1 1 d .
H33A H -0.0442 0.8250 0.5073 0.141 Uiso 1 1 calc R
C34 C 0.0080(4) 0.8003(5) 0.5989(5) 0.108(3) Uani 1 1 d .
H34A H -0.0110 0.7682 0.6123 0.130 Uiso 1 1 calc R
C35 C 0.0567(4) 0.8152(5) 0.6436(4) 0.098(2) Uani 1 1 d .
H35A H 0.0706 0.7949 0.6885 0.117 Uiso 1 1 calc R
C36 C 0.0847(3) 0.8572(4) 0.6254(3) 0.0841(19) Uani 1 1 d .
H36A H 0.1180 0.8649 0.6566 0.101 Uiso 1 1 calc R
C37 C 0.2967(2) 0.7814(6) 0.3556(3) 0.113(3) Uani 1 1 d .
H37A H 0.2965 0.8120 0.3928 0.169 Uiso 1 1 calc R
H37B H 0.3224 0.8120 0.3529 0.169 Uiso 1 1 calc R
H37C H 0.3019 0.7072 0.3626 0.169 Uiso 1 1 calc R
C38 C 0.25075(19) 0.8008(5) 0.2936(3) 0.0665(14) Uani 1 1 d .
C39 C 0.2262(2) 0.7196(5) 0.2491(3) 0.0656(14) Uani 1 1 d .
H39A H 0.2387 0.6519 0.2595 0.079 Uiso 1 1 calc R
C40 C 0.1842(2) 0.7395(6) 0.1907(3) 0.0829(19) Uani 1 1 d .
H40A H 0.1676 0.6850 0.1604 0.099 Uiso 1 1 calc R
C41 C 0.1651(2) 0.8381(7) 0.1746(3) 0.094(2) Uani 1 1 d .
H41A H 0.1359 0.8509 0.1337 0.113 Uiso 1 1 calc R
C42 C 0.1883(3) 0.9141(6) 0.2174(4) 0.098(2) Uani 1 1 d .
H42A H 0.1752 0.9813 0.2070 0.118 Uiso 1 1 calc R
C43 C 0.2313(2) 0.8968(5) 0.2767(3) 0.0776(17) Uani 1 1 d .
H43A H 0.2474 0.9525 0.3062 0.093 Uiso 1 1 calc R
C111 C 0.17760(14) 0.4612(3) 0.3219(2) 0.0433(10) Uani 1 1 d .
H11A H 0.1641 0.4951 0.3456 0.052 Uiso 1 1 calc R
C112 C 0.14846(14) 0.4977(4) 0.2493(2) 0.0541(12) Uani 1 1 d .
H11B H 0.1151 0.4771 0.2286 0.081 Uiso 1 1 calc R
H11C H 0.1613 0.4666 0.2250 0.081 Uiso 1 1 calc R
H11D H 0.1504 0.5726 0.2479 0.081 Uiso 1 1 calc R
C113 C 0.22965(16) 0.4963(4) 0.3552(2) 0.0634(14) Uani 1 1 d .
H11E H 0.2483 0.4709 0.4010 0.095 Uiso 1 1 calc R
H11F H 0.2309 0.5715 0.3553 0.095 Uiso 1 1 calc R
H11G H 0.2429 0.4690 0.3304 0.095 Uiso 1 1 calc R
C701 C 0.11038(13) 0.1478(3) 0.37160(19) 0.0375(9) Uani 1 1 d .
H70A H 0.1086 0.1967 0.4024 0.045 Uiso 1 1 calc R
C702 C 0.06013(14) 0.1366(4) 0.3098(2) 0.0512(12) Uani 1 1 d .
H70B H 0.0492 0.2031 0.2874 0.077 Uiso 1 1 calc R
H70C H 0.0385 0.1128 0.3229 0.077 Uiso 1 1 calc R
H70D H 0.0605 0.0866 0.2796 0.077 Uiso 1 1 calc R
C703 C 0.12829(17) 0.0449(3) 0.4076(2) 0.0578(13) Uani 1 1 d .
H70E H 0.1613 0.0524 0.4454 0.087 Uiso 1 1 calc R
H70F H 0.1269 -0.0067 0.3769 0.087 Uiso 1 1 calc R
H70G H 0.1082 0.0232 0.4237 0.087 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'
P P 0.1023 0.0942 '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'
Cr Cr 0.3209 0.6236 '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
C18 P1 C17 101.87(18) . .
C18 P1 C24 102.80(18) . .
C17 P1 C24 105.93(17) . .
C18 P1 Cr1 132.06(12) . .
C17 P1 Cr1 94.14(13) . .
C24 P1 Cr1 115.75(13) . .
Cr1 Cl1 Cr1 90.22(3) 2 .
N1 Cr1 N2 64.10(11) . .
N1 Cr1 Cl1 166.74(9) . 2
N2 Cr1 Cl1 102.74(8) . 2
N1 Cr1 Cl1 101.69(8) . .
N2 Cr1 Cl1 152.42(9) . .
Cl1 Cr1 Cl1 89.58(3) 2 .
N1 Cr1 C1 32.33(11) . .
N2 Cr1 C1 32.07(11) . .
Cl1 Cr1 C1 134.68(9) 2 .
Cl1 Cr1 C1 131.80(9) . .
N1 Cr1 P1 71.91(9) . .
N2 Cr1 P1 106.98(8) . .
Cl1 Cr1 P1 115.73(4) 2 .
Cl1 Cr1 P1 89.02(3) . .
C1 Cr1 P1 86.75(9) . .
C1 N2 C6 129.3(3) . .
C1 N2 Cr1 93.1(2) . .
C6 N2 Cr1 135.0(2) . .
C1 N1 C12 131.2(3) . .
C1 N1 Cr1 93.2(2) . .
C12 N1 Cr1 127.1(2) . .
N2 C1 N1 108.7(3) . .
N2 C1 C2 126.4(3) . .
N1 C1 C2 124.9(3) . .
N2 C1 Cr1 54.83(16) . .
N1 C1 Cr1 54.49(16) . .
C2 C1 Cr1 172.2(3) . .
C3 C2 C5 110.2(4) . .
C3 C2 C4 109.1(4) . .
C5 C2 C4 105.3(4) . .
C3 C2 C1 109.4(3) . .
C5 C2 C1 111.8(3) . .
C4 C2 C1 111.1(3) . .
C11 C6 C7 120.6(3) . .
C11 C6 N2 120.2(3) . .
C7 C6 N2 119.0(3) . .
C8 C7 C6 118.1(4) . .
C8 C7 C701 120.4(3) . .
C6 C7 C701 121.3(3) . .
C9 C8 C7 120.7(4) . .
C10 C9 C8 120.3(4) . .
C9 C10 C11 121.4(4) . .
C10 C11 C6 118.9(4) . .
C10 C11 C111 119.0(4) . .
C6 C11 C111 122.1(3) . .
C13 C12 C17 119.2(4) . .
C13 C12 N1 122.9(4) . .
C17 C12 N1 117.6(3) . .
C14 C13 C12 120.7(4) . .
C13 C14 C15 120.9(4) . .
C14 C15 C16 119.1(4) . .
C15 C16 C17 121.2(4) . .
C16 C17 C12 118.9(4) . .
C16 C17 P1 124.5(3) . .
C12 C17 P1 116.3(3) . .
C23 C18 C19 117.3(4) . .
C23 C18 P1 124.8(3) . .
C19 C18 P1 118.0(3) . .
C18 C19 C20 121.3(4) . .
C21 C20 C19 119.9(4) . .
C22 C21 C20 119.3(5) . .
C21 C22 C23 121.2(5) . .
C18 C23 C22 121.0(4) . .
C29 C24 C25 118.7(4) . .
C29 C24 P1 117.2(3) . .
C25 C24 P1 124.1(3) . .
C24 C25 C26 120.0(4) . .
C27 C26 C25 120.4(4) . .
C26 C27 C28 120.2(5) . .
C27 C28 C29 119.9(5) . .
C24 C29 C28 120.8(4) . .
C32 C31 C36 119.3(7) . .
C32 C31 C30 119.9(7) . .
C36 C31 C30 120.7(8) . .
C31 C32 C33 118.3(7) . .
C34 C33 C32 123.3(9) . .
C33 C34 C35 117.7(8) . .
C36 C35 C34 122.3(7) . .
C35 C36 C31 118.9(7) . .
C43 C38 C39 118.5(5) . .
C43 C38 C37 121.7(6) . .
C39 C38 C37 119.9(6) . .
C40 C39 C38 119.1(6) . .
C39 C40 C41 121.4(6) . .
C42 C41 C40 119.0(7) . .
C41 C42 C43 121.1(7) . .
C38 C43 C42 120.9(6) . .
C11 C111 C113 112.7(4) . .
C11 C111 C112 110.9(4) . .
C113 C111 C112 109.7(3) . .
C7 C701 C702 109.4(3) . .
C7 C701 C703 114.0(3) . .
C702 C701 C703 110.5(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 C18 1.829(4) .
P1 C17 1.833(4) .
P1 C24 1.836(4) .
P1 Cr1 2.7724(12) .
Cl1 Cr1 2.3807(10) 2
Cl1 Cr1 2.4321(10) .
Cr1 N1 2.045(3) .
Cr1 N2 2.054(3) .
Cr1 Cl1 2.3807(10) 2
Cr1 C1 2.509(3) .
N2 C1 1.334(4) .
N2 C6 1.423(4) .
N1 C1 1.344(4) .
N1 C12 1.411(4) .
C1 C2 1.545(5) .
C2 C3 1.511(6) .
C2 C5 1.526(6) .
C2 C4 1.529(6) .
C6 C11 1.402(5) .
C6 C7 1.412(5) .
C7 C8 1.403(5) .
C7 C701 1.515(5) .
C8 C9 1.382(6) .
C9 C10 1.367(6) .
C10 C11 1.383(5) .
C11 C111 1.519(6) .
C12 C13 1.385(5) .
C12 C17 1.397(5) .
C13 C14 1.373(6) .
C14 C15 1.374(7) .
C15 C16 1.378(6) .
C16 C17 1.395(5) .
C18 C23 1.368(6) .
C18 C19 1.381(5) .
C19 C20 1.389(6) .
C20 C21 1.358(7) .
C21 C22 1.349(7) .
C22 C23 1.381(6) .
C24 C29 1.379(6) .
C24 C25 1.385(5) .
C25 C26 1.398(6) .
C26 C27 1.357(7) .
C27 C28 1.371(7) .
C28 C29 1.387(6) .
C30 C31 1.455(9) .
C31 C32 1.372(9) .
C31 C36 1.405(8) .
C32 C33 1.396(10) .
C33 C34 1.312(10) .
C34 C35 1.392(10) .
C35 C36 1.346(9) .
C37 C38 1.467(8) .
C38 C43 1.366(8) .
C38 C39 1.406(7) .
C39 C40 1.364(8) .
C40 C41 1.392(9) .
C41 C42 1.330(9) .
C42 C43 1.385(8) .
C111 C113 1.537(6) .
C111 C112 1.537(5) .
C701 C702 1.527(5) .
C701 C703 1.530(6) .
