#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/42/7114268.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_7114268
loop_
_publ_author_name
'Lentz, Margaret R.'
'Fanwick, Phillip E.'
'Rothwell, Ian P.'
_publ_section_title
;
 Formation of novel diaza-metallacycles by insertion of tungsten(ii)
 aryloxides into aromatic diazine ringsElectronic supplementary
 information (ESI) available: synthesis of compounds 1???4. See
 http://www.rsc.org/suppdata/cc/b2/b207805h/
;
_journal_issue                   21
_journal_name_full               'Chemical Communications'
_journal_page_first              2482
_journal_paper_doi               10.1039/b207805h
_journal_year                    2002
_chemical_formula_sum            'C71 H57 N2 O2 P W'
_chemical_formula_weight         1185.08
_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_type_scat_source
'International Tables for Crystallography (Vol C)'
_audit_creation_date             26-02-01
_audit_creation_method           from_MolEN_and_SHELXL
_audit_update_record             ' ?'
_cell_angle_alpha                70.6136(7)
_cell_angle_beta                 73.1055(6)
_cell_angle_gamma                71.1026(11)
_cell_formula_units_Z            2
_cell_length_a                   11.32550(10)
_cell_length_b                   16.3547(3)
_cell_length_c                   18.3239(3)
_cell_measurement_reflns_used    32746
_cell_measurement_temperature    150
_cell_measurement_theta_max      27
_cell_measurement_theta_min      5
_cell_volume                     2964.61(8)
_computing_cell_refinement       DENZO/SCALEPACK_(Otwinowski,_1996)
_computing_data_collection       Collect_(Nonius,_1998)
_computing_data_reduction        DENZO/SCALEPACK_(Otwinowski,_1996)
_computing_molecular_graphics
;
ORTEP (Johnson, 1976)
PLUTON (Spek, 1991)
;
_computing_publication_material  CIF_VAX_MolEN_(Fair,_1990)
_computing_structure_refinement  SHELX97_(Sheldrick,_1997)
_computing_structure_solution    PATTY_(DIRDIF92,_Beurskins,_1992)
_diffrn_ambient_temperature      150
_diffrn_measurement_device_type  Nonius_KappaCCD
_diffrn_radiation_type           MO-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.044
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            32746
_diffrn_reflns_theta_max         27.88
_diffrn_reflns_theta_min         5.00
_exptl_absorpt_coefficient_mu    2.060
_exptl_absorpt_correction_T_max  0.6623
_exptl_absorpt_correction_T_min  0.4759
_exptl_absorpt_correction_type   refined_empirical_(Otwinowski_&_Minor,_1996
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.33
_exptl_crystal_description       plate
_exptl_crystal_F_000             1204
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.03
_refine_diff_density_min         -1.82
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.967
_refine_ls_hydrogen_treatment    H_atoms_riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     697
_refine_ls_number_reflns         13868
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.038
_refine_ls_shift/su_max          0.008
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'1/[σ²(Fo²)+(0.0475P)²+0.0000P] where P=(Fo²+2Fc²)/3  '
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.085
_reflns_number_gt                12283
_reflns_number_total             13873
_reflns_threshold_expression     >2.0σ(I)
_cod_data_source_file            b207805h.txt
_cod_data_source_block           WPHTHA
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc ' changed to 'calc'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        2964.61(10)
_cod_original_sg_symbol_H-M      'p -1'
_cod_original_formula_sum        'C71 H57 N2 O2 P1 W1'
_cod_database_code               7114268
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_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_calc_flag
W 0.131625(12) 0.188000(10) 0.119467(8) 0.02201(5) Uani ?
P(3) 0.26816(8) 0.02618(6) 0.13588(6) 0.0287(3) Uani ?
O(1) -0.0016(2) 0.30215(16) 0.11795(14) 0.0263(8) Uani ?
O(2) 0.0502(2) 0.13315(18) 0.22686(14) 0.0319(9) Uani ?
N(1) 0.1316(2) 0.18607(19) 0.02198(17) 0.0257(10) Uani ?
N(10) 0.2822(3) 0.2136(2) 0.09885(17) 0.0261(10) Uani ?
C(2) 0.1968(3) 0.2004(2) -0.0520(2) 0.0304(13) Uani ?
C(3) 0.3167(3) 0.2214(2) -0.0826(2) 0.0295(12) Uani ?
C(4) 0.3580(4) 0.2343(3) -0.1664(2) 0.0440(16) Uani ?
C(5) 0.4672(4) 0.2593(3) -0.2085(3) 0.0492(16) Uani ?
C(6) 0.5448(4) 0.2727(3) -0.1685(3) 0.0449(16) Uani ?
C(7) 0.5132(3) 0.2602(3) -0.0895(2) 0.0360(13) Uani ?
C(8) 0.3979(3) 0.2348(2) -0.0410(2) 0.0277(12) Uani ?
C(9) 0.3786(3) 0.2324(2) 0.0392(2) 0.0274(12) Uani ?
C(11) -0.0535(3) 0.3690(2) 0.1540(2) 0.0238(11) Uani ?
C(12) 0.0141(3) 0.4303(2) 0.1474(2) 0.0254(11) Uani ?
C(13) -0.0440(3) 0.4988(2) 0.1855(2) 0.0300(12) Uani ?
C(14) -0.1672(3) 0.5043(3) 0.2311(2) 0.0333(13) Uani ?
C(15) -0.2384(3) 0.4463(3) 0.2353(2) 0.0296(12) Uani ?
C(16) -0.1818(3) 0.3787(2) 0.1959(2) 0.0253(12) Uani ?
C(21) -0.0377(3) 0.1127(2) 0.2916(2) 0.0272(12) Uani ?
C(22) -0.0448(3) 0.1435(3) 0.3561(2) 0.0283(12) Uani ?
C(23) -0.1428(3) 0.1300(3) 0.4225(2) 0.0337(15) Uani ?
C(24) -0.2236(3) 0.0795(3) 0.4261(2) 0.0382(15) Uani ?
C(25) -0.2133(3) 0.0443(3) 0.3649(2) 0.0337(13) Uani ?
C(26) -0.1188(3) 0.0610(3) 0.2956(2) 0.0282(12) Uani ?
C(31) 0.2433(4) -0.0357(3) 0.0787(3) 0.052(2) Uani ?
C(32) 0.2472(4) -0.0449(3) 0.2354(3) 0.0459(17) Uani ?
C(33) 0.4392(3) 0.0141(3) 0.1078(3) 0.0441(15) Uani ?
C(121) 0.1443(3) 0.4265(2) 0.0963(2) 0.0262(12) Uani ?
C(122) 0.2462(3) 0.4241(2) 0.1262(2) 0.0309(12) Uani ?
C(123) 0.3628(3) 0.4326(3) 0.0766(3) 0.0350(15) Uani ?
C(124) 0.3788(3) 0.4427(3) -0.0027(3) 0.0360(15) Uani ?
C(125) 0.2813(3) 0.4420(3) -0.0337(2) 0.0345(13) Uani ?
C(126) 0.1646(3) 0.4340(2) 0.0161(2) 0.0283(12) Uani ?
C(131) 0.0188(3) 0.5707(3) 0.1758(3) 0.0342(15) Uani ?
C(132) 0.0607(3) 0.6236(3) 0.1023(3) 0.0410(15) Uani ?
C(133) 0.1173(4) 0.6906(3) 0.0931(3) 0.0513(18) Uani ?
C(134) 0.1328(4) 0.7056(3) 0.1587(4) 0.059(2) Uani ?
C(135) 0.0906(5) 0.6561(3) 0.2327(4) 0.062(2) Uani ?
C(136) 0.0318(4) 0.5884(3) 0.2422(3) 0.0491(18) Uani ?
C(151) -0.3744(3) 0.4638(3) 0.2775(2) 0.0340(13) Uani ?
C(152) -0.4728(3) 0.4790(3) 0.2384(3) 0.0376(13) Uani ?
C(153) -0.5995(4) 0.4973(3) 0.2770(3) 0.0535(18) Uani ?
C(154) -0.6301(4) 0.5005(5) 0.3555(4) 0.079(3) Uani ?
C(155) -0.5360(5) 0.4861(6) 0.3935(4) 0.094(4) Uani ?
C(156) -0.4078(4) 0.4677(4) 0.3548(3) 0.062(2) Uani ?
C(161) -0.2591(3) 0.3218(2) 0.1930(2) 0.0269(12) Uani ?
C(162) -0.3233(3) 0.2729(3) 0.2619(2) 0.0308(12) Uani ?
C(163) -0.4077(3) 0.2298(3) 0.2587(3) 0.0366(13) Uani ?
C(164) -0.4286(3) 0.2338(3) 0.1867(3) 0.0402(15) Uani ?
C(165) -0.3625(3) 0.2795(3) 0.1185(2) 0.0348(13) Uani ?
C(166) -0.2779(3) 0.3234(2) 0.1205(2) 0.0285(12) Uani ?
C(221) 0.0517(3) 0.1903(3) 0.3512(2) 0.0289(12) Uani ?
C(222) 0.1776(3) 0.1402(3) 0.3533(2) 0.0358(13) Uani ?
C(223) 0.2706(4) 0.1812(3) 0.3483(3) 0.0425(15) Uani ?
C(224) 0.2406(4) 0.2713(3) 0.3417(3) 0.0464(18) Uani ?
C(225) 0.1171(4) 0.3215(3) 0.3396(3) 0.0445(18) Uani ?
C(226) 0.0227(4) 0.2814(3) 0.3446(2) 0.0373(13) Uani ?
C(231) -0.1645(4) 0.1711(3) 0.4878(2) 0.0406(16) Uani ?
C(232) -0.2768(4) 0.2371(4) 0.5023(3) 0.051(2) Uani ?
C(233) -0.2995(6) 0.2797(4) 0.5617(3) 0.068(3) Uani ?
C(234) -0.2106(7) 0.2570(5) 0.6066(3) 0.079(3) Uani ?
C(235) -0.0997(7) 0.1920(5) 0.5937(3) 0.081(3) Uani ?
C(236) -0.0757(5) 0.1487(4) 0.5348(3) 0.061(2) Uani ?
C(251) -0.3038(4) -0.0105(3) 0.3756(2) 0.0411(16) Uani ?
C(252) -0.3255(6) -0.0748(4) 0.4457(3) 0.071(3) Uani ?
C(253) -0.4122(7) -0.1249(5) 0.4591(3) 0.103(4) Uani ?
C(254) -0.4763(6) -0.1110(5) 0.4011(4) 0.082(3) Uani ?
C(255) -0.4546(4) -0.0481(4) 0.3307(3) 0.058(2) Uani ?
C(256) -0.3699(4) 0.0020(3) 0.3176(3) 0.0433(18) Uani ?
C(261) -0.1068(3) 0.0279(3) 0.2265(2) 0.0286(12) Uani ?
C(262) -0.0905(4) -0.0630(3) 0.2345(3) 0.0373(13) Uani ?
C(263) -0.0882(4) -0.0926(3) 0.1716(3) 0.0401(16) Uani ?
C(264) -0.1016(4) -0.0326(3) 0.0995(3) 0.0401(16) Uani ?
C(265) -0.1167(4) 0.0576(3) 0.0900(2) 0.0371(13) Uani ?
C(266) -0.1187(3) 0.0875(3) 0.1528(2) 0.0313(13) Uani ?
H(2) 0.1588 0.1960 -0.0888 0.0360 Uiso calc
H(4) 0.3076 0.2251 -0.1935 0.0530 Uiso calc
H(5) 0.4899 0.2674 -0.2630 0.0590 Uiso calc
H(6) 0.6190 0.2904 -0.1969 0.0540 Uiso calc
H(7) 0.5681 0.2683 -0.0649 0.0430 Uiso calc
H(9) 0.4423 0.2457 0.0524 0.0330 Uiso calc
H(14) -0.2030 0.5474 0.2593 0.0400 Uiso calc
H(24) -0.2866 0.0691 0.4712 0.0460 Uiso calc
H(122) 0.2357 0.4166 0.1800 0.0370 Uiso calc
H(123) 0.4297 0.4314 0.0970 0.0420 Uiso calc
H(124) 0.4561 0.4502 -0.0362 0.0430 Uiso calc
H(125) 0.2938 0.4468 -0.0873 0.0410 Uiso calc
H(126) 0.0989 0.4336 -0.0045 0.0340 Uiso calc
H(132) 0.0506 0.6137 0.0576 0.0490 Uiso calc
H(133) 0.1445 0.7252 0.0429 0.0620 Uiso calc
H(134) 0.1724 0.7498 0.1527 0.0700 Uiso calc
H(135) 0.1007 0.6672 0.2769 0.0740 Uiso calc
H(136) 0.0018 0.5554 0.2926 0.0590 Uiso calc
H(152) -0.4525 0.4766 0.1860 0.0450 Uiso calc
H(153) -0.6637 0.5073 0.2506 0.0640 Uiso calc
H(154) -0.7149 0.5126 0.3817 0.0950 Uiso calc
H(155) -0.5567 0.4884 0.4459 0.1130 Uiso calc
H(156) -0.3445 0.4581 0.3817 0.0740 Uiso calc
H(162) -0.3092 0.2691 0.3106 0.0370 Uiso calc
H(163) -0.4507 0.1979 0.3053 0.0440 Uiso calc
H(164) -0.4868 0.2059 0.1846 0.0490 Uiso calc
H(165) -0.3746 0.2811 0.0699 0.0420 Uiso calc
H(166) -0.2337 0.3539 0.0736 0.0340 Uiso calc
H(222) 0.1991 0.0790 0.3580 0.0430 Uiso calc
H(223) 0.3540 0.1473 0.3495 0.0510 Uiso calc
H(224) 0.3032 0.2983 0.3387 0.0560 Uiso calc
H(225) 0.0966 0.3827 0.3347 0.0530 Uiso calc
H(226) -0.0604 0.3159 0.3434 0.0450 Uiso calc
H(232) -0.3376 0.2530 0.4718 0.0610 Uiso calc
H(233) -0.3749 0.3233 0.5705 0.0820 Uiso calc
H(234) -0.2251 0.2854 0.6459 0.0950 Uiso calc
H(235) -0.0398 0.1767 0.6247 0.0970 Uiso calc
H(236) -0.0003 0.1048 0.5269 0.0730 Uiso calc
H(252) -0.2815 -0.0849 0.4848 0.0850 Uiso calc
H(253) -0.4265 -0.1675 0.5069 0.1240 Uiso calc
H(254) -0.5342 -0.1442 0.4096 0.0990 Uiso calc
H(255) -0.4976 -0.0391 0.2914 0.0690 Uiso calc
H(256) -0.3566 0.0446 0.2697 0.0520 Uiso calc
H(262) -0.0811 -0.1041 0.2830 0.0450 Uiso calc
H(263) -0.0776 -0.1533 0.1781 0.0480 Uiso calc
H(264) -0.1006 -0.0525 0.0573 0.0480 Uiso calc
H(265) -0.1255 0.0982 0.0412 0.0440 Uiso calc
H(266) -0.1281 0.1481 0.1457 0.0370 Uiso calc
H(31A) 0.2983 -0.0951 0.0884 0.0790 Uiso calc
H(31B) 0.2622 -0.0059 0.0235 0.0790 Uiso calc
H(31C) 0.1560 -0.0391 0.0938 0.0790 Uiso calc
H(32A) 0.1612 -0.0510 0.2526 0.0690 Uiso calc
H(32B) 0.2639 -0.0186 0.2699 0.0690 Uiso calc
H(32C) 0.3052 -0.1028 0.2367 0.0690 Uiso calc
H(33A) 0.4827 -0.0482 0.1159 0.0660 Uiso calc
H(33B) 0.4639 0.0396 0.1396 0.0660 Uiso calc
H(33C) 0.4614 0.0447 0.0530 0.0660 Uiso calc
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
N(10) W N(1) 98.67(12)
N(10) W O(2) 121.81(12)
N(1) W O(2) 134.97(11)
N(10) W O(1) 107.04(11)
N(1) W O(1) 95.11(11)
O(2) W O(1) 91.25(10)
N(10) W P(3) 83.55(9)
N(1) W P(3) 86.34(9)
O(2) W P(3) 80.07(8)
O(1) W P(3) 168.90(7)
C(32) P(3) C(31) 103.7(2)
C(32) P(3) C(33) 103.1(2)
C(31) P(3) C(33) 102.9(2)
C(32) P(3) W 115.06(15)
C(31) P(3) W 115.39(15)
C(33) P(3) W 115.08(15)
C(11) O(1) W 143.0(2)
C(21) O(2) W 162.0(2)
C(2) N(1) W 142.9(2)
C(9) N(10) W 141.4(3)
N(1) C(2) C(3) 128.6(3)
C(2) C(3) C(4) 113.6(3)
C(2) C(3) C(8) 128.8(3)
C(4) C(3) C(8) 117.5(3)
C(5) C(4) C(3) 123.4(4)
C(4) C(5) C(6) 119.0(4)
C(7) C(6) C(5) 120.8(4)
C(6) C(7) C(8) 123.3(4)
C(9) C(8) C(7) 113.8(3)
C(9) C(8) C(3) 130.1(3)
C(7) C(8) C(3) 115.9(3)
N(10) C(9) C(8) 129.3(3)
O(1) C(11) C(12) 121.6(3)
O(1) C(11) C(16) 117.9(3)
C(12) C(11) C(16) 120.4(3)
C(13) C(12) C(11) 119.5(3)
C(13) C(12) C(121) 119.6(3)
C(11) C(12) C(121) 120.8(3)
C(14) C(13) C(12) 119.6(3)
C(14) C(13) C(131) 118.0(3)
C(12) C(13) C(131) 122.3(3)
C(13) C(14) C(15) 121.6(3)
C(16) C(15) C(14) 119.0(3)
C(16) C(15) C(151) 123.0(3)
C(14) C(15) C(151) 117.9(3)
C(15) C(16) C(11) 119.6(3)
C(15) C(16) C(161) 120.0(3)
C(11) C(16) C(161) 120.2(3)
O(2) C(21) C(22) 117.3(3)
O(2) C(21) C(26) 121.3(3)
C(22) C(21) C(26) 121.4(3)
C(23) C(22) C(21) 118.9(3)
C(23) C(22) C(221) 122.2(3)
C(21) C(22) C(221) 118.9(3)
C(24) C(23) C(22) 119.3(4)
C(24) C(23) C(231) 119.6(3)
C(22) C(23) C(231) 121.0(3)
C(25) C(24) C(23) 122.3(3)
C(24) C(25) C(26) 119.0(3)
C(24) C(25) C(251) 117.9(3)
C(26) C(25) C(251) 123.1(3)
C(21) C(26) C(25) 118.7(3)
C(21) C(26) C(261) 119.9(3)
C(25) C(26) C(261) 121.3(3)
C(126) C(121) C(122) 118.1(3)
C(126) C(121) C(12) 120.8(3)
C(122) C(121) C(12) 120.8(3)
C(123) C(122) C(121) 121.0(4)
C(124) C(123) C(122) 119.6(3)
C(123) C(124) C(125) 120.9(3)
C(124) C(125) C(126) 119.3(4)
C(121) C(126) C(125) 121.1(3)
C(132) C(131) C(136) 117.9(4)
C(132) C(131) C(13) 121.8(4)
C(136) C(131) C(13) 120.2(4)
C(133) C(132) C(131) 122.1(4)
C(134) C(133) C(132) 119.4(5)
C(135) C(134) C(133) 120.6(4)
C(134) C(135) C(136) 120.0(5)
C(131) C(136) C(135) 119.9(5)
C(156) C(151) C(152) 118.1(4)
C(156) C(151) C(15) 121.2(4)
C(152) C(151) C(15) 120.7(3)
C(153) C(152) C(151) 120.8(4)
C(152) C(153) C(154) 119.7(4)
C(155) C(154) C(153) 119.9(4)
C(154) C(155) C(156) 120.7(5)
C(151) C(156) C(155) 120.9(5)
C(162) C(161) C(166) 118.5(3)
C(162) C(161) C(16) 121.2(3)
C(166) C(161) C(16) 120.0(3)
C(163) C(162) C(161) 120.6(4)
C(162) C(163) C(164) 120.5(4)
C(165) C(164) C(163) 119.1(4)
C(164) C(165) C(166) 121.2(4)
C(165) C(166) C(161) 120.0(3)
C(226) C(221) C(222) 118.2(3)
C(226) C(221) C(22) 123.2(3)
C(222) C(221) C(22) 118.6(3)
C(223) C(222) C(221) 120.5(4)
C(224) C(223) C(222) 120.6(4)
C(223) C(224) C(225) 119.6(4)
C(224) C(225) C(226) 120.5(4)
C(221) C(226) C(225) 120.6(4)
C(236) C(231) C(232) 117.8(4)
C(236) C(231) C(23) 122.8(4)
C(232) C(231) C(23) 119.4(4)
C(231) C(232) C(233) 121.4(5)
C(234) C(233) C(232) 119.7(6)
C(233) C(234) C(235) 120.0(5)
C(234) C(235) C(236) 121.0(5)
C(231) C(236) C(235) 120.1(6)
C(252) C(251) C(256) 117.9(4)
C(252) C(251) C(25) 119.5(4)
C(256) C(251) C(25) 122.6(4)
C(251) C(252) C(253) 121.2(5)
C(254) C(253) C(252) 119.6(5)
C(255) C(254) C(253) 119.9(5)
C(254) C(255) C(256) 120.6(5)
C(255) C(256) C(251) 120.7(4)
C(266) C(261) C(262) 118.0(3)
C(266) C(261) C(26) 120.7(3)
C(262) C(261) C(26) 121.3(3)
C(263) C(262) C(261) 121.1(4)
C(264) C(263) C(262) 120.1(4)
C(263) C(264) C(265) 119.9(4)
C(266) C(265) C(264) 120.2(4)
C(265) C(266) C(261) 120.8(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
W N(10) 1.791(3)
W N(1) 1.797(3)
W O(2) 1.959(2)
W O(1) 1.982(2)
W P(3) 2.5646(10)
P(3) C(32) 1.803(4)
P(3) C(31) 1.807(4)
P(3) C(33) 1.816(4)
O(1) C(11) 1.347(4)
O(2) C(21) 1.333(4)
N(1) C(2) 1.326(5)
N(10) C(9) 1.335(4)
C(2) C(3) 1.417(5)
C(3) C(4) 1.434(5)
C(3) C(8) 1.456(5)
C(4) C(5) 1.363(6)
C(5) C(6) 1.400(6)
C(6) C(7) 1.347(6)
C(7) C(8) 1.449(5)
C(8) C(9) 1.411(5)
C(11) C(12) 1.404(5)
C(11) C(16) 1.418(4)
C(12) C(13) 1.397(5)
C(12) C(121) 1.494(4)
C(13) C(14) 1.394(5)
C(13) C(131) 1.499(5)
C(14) C(15) 1.402(5)
C(15) C(16) 1.398(5)
C(15) C(151) 1.491(5)
C(16) C(161) 1.490(5)
C(21) C(22) 1.403(5)
C(21) C(26) 1.410(5)
C(22) C(23) 1.399(5)
C(22) C(221) 1.493(5)
C(23) C(24) 1.395(5)
C(23) C(231) 1.483(5)
C(24) C(25) 1.383(5)
C(25) C(26) 1.415(5)
C(25) C(251) 1.501(5)
C(26) C(261) 1.491(5)
C(121) C(126) 1.388(5)
C(121) C(122) 1.398(5)
C(122) C(123) 1.388(5)
C(123) C(124) 1.370(6)
C(124) C(125) 1.386(5)
C(125) C(126) 1.389(5)
C(131) C(132) 1.382(6)
C(131) C(136) 1.396(6)
C(132) C(133) 1.382(5)
C(133) C(134) 1.372(8)
C(134) C(135) 1.366(8)
C(135) C(136) 1.409(6)
C(151) C(156) 1.372(6)
C(151) C(152) 1.409(5)
C(152) C(153) 1.386(5)
C(153) C(154) 1.393(7)
C(154) C(155) 1.355(8)
C(155) C(156) 1.400(6)
C(161) C(162) 1.392(5)
C(161) C(166) 1.397(5)
C(162) C(163) 1.381(5)
C(163) C(164) 1.386(6)
C(164) C(165) 1.371(6)
C(165) C(166) 1.384(5)
C(221) C(226) 1.388(6)
C(221) C(222) 1.401(5)
C(222) C(223) 1.389(5)
C(223) C(224) 1.372(6)
C(224) C(225) 1.378(6)
C(225) C(226) 1.393(5)
C(231) C(236) 1.392(6)
C(231) C(232) 1.400(6)
C(232) C(233) 1.400(6)
C(233) C(234) 1.366(8)
C(234) C(235) 1.375(9)
C(235) C(236) 1.399(8)
C(251) C(252) 1.381(6)
C(251) C(256) 1.396(6)
C(252) C(253) 1.394(7)
C(253) C(254) 1.374(8)
C(254) C(255) 1.372(8)
C(255) C(256) 1.376(6)
C(261) C(266) 1.392(5)
C(261) C(262) 1.399(5)
C(262) C(263) 1.382(6)
C(263) C(264) 1.375(6)
C(264) C(265) 1.385(6)
C(265) C(266) 1.385(5)
