data_2006596
_journal_name_full  'Acta Crystallographica'
_journal_year  1997
_journal_volume  C53
_journal_page_first  1405
_journal_page_last  1407
_publ_section_title
;
trans-[Bis-2,6-(2-benzimidazolyl-\kN^2^)pyridine-\kN]nitrobis
(triphenylphosphine-P)ruthenium(II) Perchlorate Ethanol Solvate
;
loop_
_publ_author_name
  'Lim, Jong Wan'
  'Yeo, Hwan Jin'
  'Jeong, Jong Hwa'
_chemical_formula_sum  '[Ru (C57 H49 N6 O3 P2)], Cl O4'
_chemical_formula_iupac  '[Ru (N O2)(C19 H13 N5)(C18 H15 P)2]Cl O4, C2 H6 O1'
_chemical_formula_weight  1128.48
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  11.991(2)
_cell_length_b  13.951(4)
_cell_length_c  14.923(4)
_cell_angle_alpha  96.02(2)
_cell_angle_beta  94.49(2)
_cell_angle_gamma  98.42(2)
_cell_volume  2445.0(10)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.533
_diffrn_ambient_temperature  293(2)
_refine_ls_R_factor_obs  .0661
_refine_ls_wR_factor_obs  .1590
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
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  Ru  .15950(5)  .25795(4)  .30085(4)  .0273(2) Uani d . 1 . Ru
  P1  .0507(2)  .27811(14)  .16349(13)  .0336(5) Uani d . 1 . P
  P2  .2731(2)  .23848(13)  .43812(13)  .0320(5) Uani d . 1 . P
  N1  .1395(5)  .1056(4)  .2557(4)  .0341(14) Uani d . 1 . N
  N2  .2944(5)  .2468(4)  .2306(4)  .0345(14) Uani d . 1 . N
  N3  .2410(5)  .4045(4)  .3138(4)  .0329(14) Uani d . 1 . N
  N4  .2201(5)  -.0096(4)  .1825(4)  .0289(13) Uani d . 1 . N
  H4  .2675(5)  -.0359(4)  .1515(4)  .035 Uiso calc R 1 . H
  N5  .3900(5)  .5019(4)  .2756(4)  .0271(13) Uani d . 1 . N
  H5  .4531(5)  .5200(4)  .2540(4)  .032 Uiso calc R 1 . H
  N6  .0199(5)  .2738(4)  .3696(4)  .0332(14) Uani d . 1 . N
  O1  -.0316(5)  .3424(4)  .3595(4)  .051(2) Uani d . 1 . O
  O2  -.0163(5)  .2137(4)  .4206(4)  .0512(15) Uani d . 1 . O
  C1  .0717(7)  .0145(5)  .2588(5)  .036(2) Uani d . 1 . C
  C2  -.0284(7)  -.0131(6)  .2989(5)  .044(2) Uani d . 1 . C
  H2  -.0674(7)  .0326(6)  .3273(5)  .052 Uiso calc R 1 . H
  C3  -.0656(8)  -.1124(6)  .2936(6)  .056(2) Uani d . 1 . C
  H3  -.1321(8)  -.1342(6)  .3184(6)  .067 Uiso calc R 1 . H
  C4  -.0073(10)  -.1799(6)  .2527(7)  .067(3) Uani d . 1 . C
  H4  -.0348(10)  -.2457(6)  .2530(7)  .080 Uiso calc R 1 . H
  C5  .0893(9)  -.1550(6)  .2116(7)  .058(3) Uani d . 1 . C
  H5  .1276(9)  -.2012(6)  .1832(7)  .069 Uiso calc R 1 . H
  C6  .1257(8)  -.0550(6)  .2157(6)  .047(2) Uani d . 1 . C
  C7  .2217(7)  .0843(5)  .2092(5)  .036(2) Uani d . 1 . C
  C8  .3115(7)  .1609(5)  .1899(5)  .036(2) Uani d . 1 . C
  C9  .4004(8)  .1517(6)  .1386(6)  .051(2) Uani d . 1 . C
  H9  .4093(8)  .0916(6)  .1093(6)  .062 Uiso calc R 1 . H
  C10  .4775(8)  .2365(7)  .1319(6)  .057(2) Uani d . 1 . C
  H10  .5379(8)  .2331(7)  .0969(6)  .069 Uiso calc R 1 . H
  C11  .4638(7)  .3225(6)  .1760(6)  .046(2) Uani d . 1 . C
  H11  .5162(7)  .3779(6)  .1732(6)  .056 Uiso calc R 1 . H
  C12  .3706(6)  .3287(5)  .2263(5)  .036(2) Uani d . 1 . C
  C13  .3352(6)  .4101(5)  .2733(5)  .037(2) Uani d . 1 . C
  C14  .3237(7)  .5603(5)  .3196(5)  .042(2) Uani d . 1 . C
  C15  .3409(9)  .6608(6)  .3346(7)  .056(2) Uani d . 1 . C
  H15  .4040(9)  .6988(6)  .3171(7)  .067 Uiso calc R 1 . H
  C16  .2586(10)  .7005(7)  .3771(7)  .069(3) Uani d . 1 . C
  H16  .2656(10)  .7680(7)  .3889(7)  .083 Uiso calc R 1 . H
  C17  .1637(9)  .6424(6)  .4035(7)  .061(3) Uani d . 1 . C
  H17  .1101(9)  .6725(6)  .4328(7)  .074 Uiso calc R 1 . H
  C18  .1480(7)  .5428(6)  .3874(6)  .045(2) Uani d . 1 . C
  H18  .0846(7)  .5046(6)  .4042(6)  .054 Uiso calc R 1 . H
  C19  .2305(7)  .5017(5)  .3449(5)  .039(2) Uani d . 1 . C
  C1R  -.0934(7)  .2097(6)  .1381(5)  .039(2) Uani d . 1 . C
  C2R  -.1461(7)  .2036(6)  .0502(6)  .048(2) Uani d . 1 . C
  H2R  -.1093(7)  .2362(6)  .0070(6)  .058 Uiso calc R 1 . H
  C3R  -.2505(8)  .1505(7)  .0275(7)  .061(3) Uani d . 1 . C
  H3R  -.2858(8)  .1492(7)  -.0304(7)  .073 Uiso calc R 1 . H
  C4R  -.3052(8)  .0981(7)  .0895(7)  .057(2) Uani d . 1 . C
  H4R  -.3757(8)  .0601(7)  .0729(7)  .069 Uiso calc R 1 . H
  C5R  -.2546(8)  .1028(6)  .1750(7)  .053(2) Uani d . 1 . C
  H5R  -.2909(8)  .0679(6)  .2170(7)  .063 Uiso calc R 1 . H
  C6R  -.1484(7)  .1598(6)  .2004(6)  .042(2) Uani d . 1 . C
  H6R  -.1152(7)  .1638(6)  .2594(6)  .050 Uiso calc R 1 . H
  C7R  .1159(7)  .2318(5)  .0639(5)  .035(2) Uani d . 1 . C
  C8R  .0953(7)  .1307(6)  .0380(6)  .046(2) Uani d . 1 . C
  H8R  .0455(7)  .0906(6)  .0679(6)  .056 Uiso calc R 1 . H
  C9R  .1492(9)  .0908(7)  -.0321(6)  .057(2) Uani d . 1 . C
  H9R  .1348(9)  .0237(7)  -.0488(6)  .069 Uiso calc R 1 . H
  C10R  .2227(8)  .1470(8)  -.0773(6)  .061(3) Uani d . 1 . C
  H10R  .2585(8)  .1186(8)  -.1239(6)  .074 Uiso calc R 1 . H
  C11R  .2433(9)  .2449(7)  -.0537(6)  .062(3) Uani d . 1 . C
  H11R  .2930(9)  .2841(7)  -.0845(6)  .074 Uiso calc R 1 . H
  C12R  .1899(7)  .2871(6)  .0167(5)  .044(2) Uani d . 1 . C
  H12R  .2049(7)  .3543(6)  .0322(5)  .053 Uiso calc R 1 . H
  C13R  .0319(8)  .4021(5)  .1441(5)  .040(2) Uani d . 1 . C
  C14R  .1269(9)  .4740(6)  .1405(5)  .048(2) Uani d . 1 . C
  H14R  .1994(9)  .4583(6)  .1493(5)  .058 Uiso calc R 1 . H
  C15R  .1131(10)  .5689(7)  .1240(6)  .060(3) Uani d . 1 . C
  H15R  .1762(10)  .6161(7)  .1229(6)  .073 Uiso calc R 1 . H
  C16R  .0075(10)  .5916(6)  .1095(6)  .059(3) Uani d . 1 . C
  H16R  -.0021(10)  .6536(6)  .0959(6)  .071 Uiso calc R 1 . H
  C17R  -.0846(10)  .5232(7)  .1150(6)  .062(3) Uani d . 1 . C
  H17R  -.1566(10)  .5398(7)  .1059(6)  .075 Uiso calc R 1 . H
  C18R  -.0738(8)  .4300(6)  .1336(6)  .046(2) Uani d . 1 . C
  H18R  -.1382(8)  .3856(6)  .1391(6)  .055 Uiso calc R 1 . H
  C19R  .2593(7)  .3145(5)  .5436(5)  .037(2) Uani d . 1 . C
  C20R  .3246(9)  .3070(7)  .6208(6)  .058(2) Uani d . 1 . C
  H20R  .3736(9)  .2610(7)  .6200(6)  .069 Uiso calc R 1 . H
  C21R  .3195(10)  .3661(8)  .6997(6)  .069(3) Uani d . 1 . C
  H21R  .3650(10)  .3603(8)  .7517(6)  .083 Uiso calc R 1 . H
  C22R  .2470(9)  .4334(8)  .7013(7)  .069(3) Uani d . 1 . C
  H22R  .2446(9)  .4746(8)  .7541(7)  .083 Uiso calc R 1 . H
  C23R  .1783(8)  .4403(7)  .6255(7)  .058(3) Uani d . 1 . C
  H23R  .1275(8)  .4847(7)  .6274(7)  .070 Uiso calc R 1 . H
  C24R  .1841(7)  .3818(6)  .5466(6)  .045(2) Uani d . 1 . C
  H24R  .1377(7)  .3870(6)  .4950(6)  .054 Uiso calc R 1 . H
  C25R  .4244(6)  .2695(5)  .4218(5)  .035(2) Uani d . 1 . C
  C26R  .4766(7)  .2027(6)  .3748(5)  .042(2) Uani d . 1 . C
  H26R  .4380(7)  .1402(6)  .3556(5)  .050 Uiso calc R 1 . H
  C27R  .5880(8)  .2285(7)  .3557(6)  .052(2) Uani d . 1 . C
  H27R  .6240(8)  .1828(7)  .3241(6)  .063 Uiso calc R 1 . H
  C28R  .6456(7)  .3214(7)  .3834(7)  .059(3) Uani d . 1 . C
  H28R  .7206(7)  .3379(7)  .3715(7)  .071 Uiso calc R 1 . H
  C29R  .5924(8)  .3883(7)  .4279(7)  .059(3) Uani d . 1 . C
  H29R  .6306(8)  .4513(7)  .4457(7)  .070 Uiso calc R 1 . H
  C30R  .4808(7)  .3635(6)  .4472(6)  .046(2) Uani d . 1 . C
  H30R  .4442(7)  .4100(6)  .4770(6)  .055 Uiso calc R 1 . H
  C31R  .2666(7)  .1166(5)  .4751(5)  .037(2) Uani d . 1 . C
  C32R  .1613(7)  .0576(5)  .4659(5)  .038(2) Uani d . 1 . C
  H32R  .0977(7)  .0802(5)  .4415(5)  .045 Uiso calc R 1 . H
  C33R  .1517(8)  -.0340(6)  .4930(5)  .044(2) Uani d . 1 . C
  H33R  .0819(8)  -.0745(6)  .4838(5)  .053 Uiso calc R 1 . H
  C34R  .2420(8)  -.0667(6)  .5329(6)  .048(2) Uani d . 1 . C
  H34R  .2337(8)  -.1291(6)  .5508(6)  .057 Uiso calc R 1 . H
  C35R  .3464(8)  -.0077(6)  .5470(6)  .055(2) Uani d . 1 . C
  H35R  .4081(8)  -.0287(6)  .5765(6)  .067 Uiso calc R 1 . H
  C36R  .3573(7)  .0832(6)  .5165(6)  .049(2) Uani d . 1 . C
  H36R  .4278(7)  .1226(6)  .5242(6)  .059 Uiso calc R 1 . H
  Cl  -.4765(4)  .1179(4)  -.2025(4)  .0829(13) Uiso d PD  .70 1 Cl
  O3  -.3655(10)  .1777(9)  -.1930(9)  .097(4) Uiso d PD  .70 1 O
  O4  -.4943(14)  .1086(13)  -.1023(10)  .141(7) Uiso d PD  .70 1 O
  O5  -.5641(12)  .1659(11)  -.2371(10)  .117(5) Uiso d PD  .70 1 O
  O6  -.4821(15)  .0239(12)  -.2462(12)  .172(7) Uiso d PD  .70 1 O
  Cl'  .4701(10)  .8416(9)  .1750(8)  .083(3) Uiso d PD  .30 2 Cl
  O3'  .361(3)  .776(2)  .139(2)  .166(17) Uiso d PD  .30 2 O
  O4'  .4857(19)  .9305(16)  .1285(15)  .060(6) Uiso d PD  .30 2 O
  O5'  .560(3)  .789(2)  .194(2)  .147(15) Uiso d PD  .30 2 O
  O6'  .435(3)  .889(2)  .2722(18)  .128(12) Uiso d PD  .30 2 O
  O1S  .418(4)  .609(3)  .054(3)  .46(2) Uiso d . 1 . O
  C1S  .467(3)  .536(3)  .023(3)  .241(14) Uiso d . 1 . C
  C2S  .391(2)  .489(2)  -.063(2)  .212(11) Uiso d . 1 . C
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Ru  .0300(3)  .0205(3)  .0318(3)  .0041(2)  .0035(2)  .0037(2)
  P1  .0382(12)  .0296(10)  .0339(11)  .0081(9)  .0040(9)  .0037(8)
  P2  .0346(11)  .0252(9)  .0361(11)  .0037(8)  .0034(9)  .0047(8)
  N1  .044(4)  .024(3)  .035(3)  .005(3)  .005(3)  .006(3)
  N2  .033(4)  .035(3)  .037(3)  .004(3)  .008(3)  .009(3)
  N3  .037(4)  .023(3)  .039(3)  .006(3)  .003(3)  .005(3)
  N4  .039(3)  .015(3)  .035(3)  .010(2)  .017(3)  -.005(2)
  N5  .021(3)  .018(3)  .041(3)  -.009(2)  .007(3)  .010(2)
  N6  .031(3)  .028(3)  .038(4)  .004(3)  .002(3)  -.008(3)
  O1  .041(3)  .042(3)  .076(4)  .022(3)  .013(3)  .008(3)
  O2  .052(4)  .045(3)  .060(4)  .003(3)  .024(3)  .016(3)
  C1  .045(5)  .026(4)  .038(4)  .008(3)  .003(4)  .002(3)
  C2  .049(5)  .035(4)  .045(5)  .004(4)  .006(4)  -.005(4)
  C3  .063(6)  .042(5)  .055(5)  -.015(5)  .006(5)  .005(4)
  C4  .089(8)  .026(4)  .081(7)  -.002(5)  .016(6)  .003(5)
  C5  .071(7)  .027(4)  .072(6)  .006(4)  .009(5)  -.010(4)
  C6  .062(6)  .027(4)  .049(5)  .003(4)  -.003(4)  -.005(4)
  C7  .043(4)  .028(4)  .039(4)  .019(3)  .004(4)  -.001(3)
  C8  .042(5)  .027(4)  .043(4)  .012(3)  .010(4)  .004(3)
  C9  .061(6)  .043(5)  .055(5)  .017(4)  .023(5)  .003(4)
  C10  .047(5)  .074(7)  .058(6)  .019(5)  .026(5)  .016(5)
  C11  .041(5)  .041(5)  .061(5)  .004(4)  .021(4)  .015(4)
  C12  .034(4)  .033(4)  .044(5)  .008(3)  .006(4)  .012(3)
  C13  .028(4)  .035(4)  .049(5)  .005(3)  .005(4)  .012(3)
  C14  .050(5)  .031(4)  .043(5)  .007(4)  -.004(4)  .007(3)
  C15  .065(6)  .028(4)  .069(6)  -.011(4)  -.001(5)  .008(4)
  C16  .086(8)  .033(5)  .085(8)  .008(5)  .003(6)  .000(5)
  C17  .066(7)  .043(5)  .075(7)  .023(5)  .005(5)  -.008(5)
  C18  .043(5)  .030(4)  .063(6)  .007(4)  .006(4)  .004(4)
  C19  .051(5)  .023(4)  .039(4)  .000(3)  -.005(4)  .004(3)
  C1R  .035(4)  .038(4)  .044(5)  .010(4)  .000(4)  -.001(4)
  C2R  .043(5)  .055(5)  .042(5)  .004(4)  -.005(4)  -.002(4)
  C3R  .055(6)  .066(6)  .058(6)  .021(5)  -.009(5)  -.018(5)
  C4R  .035(5)  .054(6)  .078(7)  .009(4)  .002(5)  -.015(5)
  C5R  .046(5)  .040(5)  .072(6)  .008(4)  .023(5)  -.006(4)
  C6R  .038(5)  .041(5)  .045(5)  .012(4)  .003(4)  -.002(4)
  C7R  .039(4)  .036(4)  .028(4)  .004(3)  .000(3)  .002(3)
  C8R  .043(5)  .036(4)  .057(5)  .007(4)  .004(4)  -.004(4)
  C9R  .064(6)  .048(5)  .058(6)  .011(5)  .013(5)  -.011(4)
  C10R  .059(6)  .077(7)  .045(5)  .011(5)  .012(5)  -.015(5)
  C11R  .069(7)  .067(6)  .054(6)  .011(5)  .023(5)  .008(5)
  C12R  .057(5)  .033(4)  .045(5)  .012(4)  .009(4)  .008(4)
  C13R  .064(6)  .029(4)  .029(4)  .013(4)  .000(4)  .004(3)
  C14R  .072(6)  .036(4)  .035(4)  .009(4)  -.002(4)  .000(4)
  C15R  .086(8)  .039(5)  .058(6)  .013(5)  -.002(5)  .014(4)
  C16R  .102(9)  .035(5)  .046(5)  .029(5)  .006(5)  .009(4)
  C17R  .088(8)  .054(6)  .058(6)  .041(6)  .025(6)  .017(5)
  C18R  .054(5)  .043(5)  .049(5)  .025(4)  .013(4)  .010(4)
  C19R  .037(4)  .037(4)  .033(4)  -.007(3)  .000(4)  .001(3)
  C20R  .065(6)  .066(6)  .043(5)  .016(5)  .003(5)  .003(4)
  C21R  .081(8)  .090(8)  .035(5)  .021(6)  -.008(5)  -.002(5)
  C22R  .065(7)  .085(8)  .051(6)  -.001(6)  .019(5)  -.019(5)
  C23R  .045(5)  .055(6)  .071(7)  .005(4)  .012(5)  -.014(5)
  C24R  .036(5)  .043(5)  .053(5)  .011(4)  -.001(4)  -.009(4)
  C25R  .032(4)  .041(4)  .033(4)  .006(3)  .002(3)  .010(3)
  C26R  .040(5)  .039(4)  .047(5)  .012(4)  .000(4)  .007(4)
  C27R  .048(5)  .066(6)  .050(5)  .023(5)  .011(4)  .016(4)
  C28R  .027(5)  .070(7)  .082(7)  .002(4)  .011(5)  .016(5)
  C29R  .051(6)  .048(5)  .070(6)  -.011(5)  .006(5)  -.002(5)
  C30R  .039(5)  .037(4)  .058(5)  -.002(4)  .007(4)  -.001(4)
  C31R  .042(5)  .030(4)  .041(4)  .006(3)  .001(4)  .011(3)
  C32R  .041(5)  .033(4)  .039(4)  .002(3)  .006(4)  .005(3)
  C33R  .052(5)  .037(4)  .044(5)  .003(4)  .007(4)  .011(4)
  C34R  .058(6)  .029(4)  .061(6)  .010(4)  .011(5)  .021(4)
  C35R  .052(6)  .055(5)  .067(6)  .019(5)  -.004(5)  .035(5)
  C36R  .043(5)  .038(4)  .067(6)  .004(4)  -.004(4)  .016(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Ru N2 . 2.011(6) yes
  Ru N6 . 2.057(6) yes
  Ru N3 . 2.116(6) yes
  Ru N1 . 2.134(6) yes
  Ru P1 . 2.407(2) yes
  Ru P2 . 2.432(2) yes
  P1 C13R . 1.826(7) yes
  P1 C7R . 1.834(8) yes
  P1 C1R . 1.839(8) yes
  P2 C31R . 1.834(7) yes
  P2 C19R . 1.836(8) yes
  P2 C25R . 1.845(8) yes
  N1 C7 . 1.299(9) yes
  N1 C1 . 1.412(9) yes
  N2 C8 . 1.337(9) yes
  N2 C12 . 1.365(9) yes
  N3 C13 . 1.318(9) yes
  N3 C19 . 1.413(9) yes
  N4 C7 . 1.326(8) yes
  N4 C6 . 1.368(10) yes
  N5 C13 . 1.347(9) yes
  N5 C14 . 1.374(10) yes
  N6 O1 . 1.229(8) yes
  N6 O2 . 1.245(8) yes
  C1 C6 . 1.375(11) ?
  C1 C2 . 1.405(11) ?
  C2 C3 . 1.385(11) ?
  C3 C4 . 1.372(13) ?
  C4 C5 . 1.371(14) ?
  C5 C6 . 1.392(11) ?
  C7 C8 . 1.470(11) ?
  C8 C9 . 1.372(11) ?
  C9 C10 . 1.408(12) ?
  C10 C11 . 1.344(12) ?
  C11 C12 . 1.402(11) ?
  C12 C13 . 1.407(11) ?
  C14 C15 . 1.378(11) ?
  C14 C19 . 1.387(11) ?
  C15 C16 . 1.367(14) ?
  C16 C17 . 1.405(14) ?
  C17 C18 . 1.367(11) ?
  C18 C19 . 1.378(11) ?
  C1R C6R . 1.370(11) ?
  C1R C2R . 1.400(11) ?
  C2R C3R . 1.356(12) ?
  C3R C4R . 1.384(14) ?
  C4R C5R . 1.360(13) ?
  C5R C6R . 1.401(11) ?
  C7R C12R . 1.375(11) ?
  C7R C8R . 1.403(10) ?
  C8R C9R . 1.381(12) ?
  C9R C10R . 1.360(13) ?
  C10R C11R . 1.356(13) ?
  C11R C12R . 1.395(12) ?
  C13R C18R . 1.383(12) ?
  C13R C14R . 1.412(12) ?
  C14R C15R . 1.403(12) ?
  C15R C16R . 1.357(14) ?
  C16R C17R . 1.363(14) ?
  C17R C18R . 1.380(11) ?
  C19R C20R . 1.365(12) ?
  C19R C24R . 1.392(11) ?
  C20R C21R . 1.376(13) ?
  C21R C22R . 1.370(15) ?
  C22R C23R . 1.366(14) ?
  C23R C24R . 1.373(12) ?
  C25R C26R . 1.362(11) ?
  C25R C30R . 1.384(11) ?
  C26R C27R . 1.391(12) ?
  C27R C28R . 1.382(13) ?
  C28R C29R . 1.353(13) ?
  C29R C30R . 1.392(12) ?
  C31R C36R . 1.374(11) ?
  C31R C32R . 1.391(11) ?
  C32R C33R . 1.373(10) ?
  C33R C34R . 1.355(12) ?
  C34R C35R . 1.382(12) ?
  C35R C36R . 1.385(11) ?
  Cl O6 . 1.392(15) ?
  Cl O5 . 1.419(13) ?
  Cl O3 . 1.452(12) ?
  Cl O4 . 1.542(15) ?
  Cl' O5' . 1.41(2) ?
  Cl' O4' . 1.48(2) ?
  Cl' O3' . 1.51(3) ?
  Cl' O6' . 1.64(3) ?
  O1S C1S . 1.30(4) ?
  C1S C1S 2_665 1.51(6) ?
  C1S C2S . 1.54(4) ?
  C1S C2S 2_665 1.86(4) ?
  C2S C1S 2_665 1.86(4) ?