data_2012130
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  897
_journal_page_last  899
_publ_section_title
;
Three mono-alkoxy-substituted nido-platinaboranes:
[(PPh~3~)~2~PtB~10~H~11~-8-(OCH~3~)].0.5CH~2~Cl~2~,
{(PPh~3~)~2~PtB~10~H~11~-8-[OCH(CH~3~)~2~]}.CH~2~Cl~2~,
{(PPh~3~)~2~PtB~10~H~10~-9-[OCH(CH~3~)~2~]}.CH~2~Cl~2~,
;
loop_
_publ_author_name
  'Nie, Yong'
  'Hu, Chun-Hua'
  'Li, Xue'
  'Yong, Wei'
  'Dou, Jian Min'
  'Sun, Jie'
  'Jin, Ruo-Shui'
  'Zheng, Pei-Ju'
_chemical_name_common
  '{(PPh~3~)~2~PtB~10~H~11~-8-[OCH(CH~3~)~2~]}(CH~2~Cl~2~)'
_chemical_formula_moiety  'C39 H48 B10 O P2 Pt , C H2 Cl2'
_chemical_formula_sum  'C40 H50 B10 Cl2 O P2 Pt'
_chemical_formula_iupac  '[Pt (C3 H18 B10 O) (C18 H15 P)2] , C H2 Cl2'
_chemical_formula_weight  982.83
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x-1/2, -y-1/2, z-1/2'
_cell_length_a  11.114(3)
_cell_length_b  21.634(8)
_cell_length_c  18.990(8)
_cell_angle_alpha  90
_cell_angle_beta  103.75(3)
_cell_angle_gamma  90
_cell_volume  4435(3)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.472
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Pt7  .94224(5)  .18408(3)  .80843(3)  .0411(2) Uani d . 1 . . Pt
  P1  .8422(4)  .25483(19)  .8715(2)  .0430(9) Uani d . 1 . . P
  P2 1.1265(4)  .2400(2)  .8119(2)  .0454(9) Uani d . 1 . . P
  C1S  .646(4)  .4630(12) 1.0861(17)  .174(17) Uani d . 1 . . C
  H1S1  .5485  .4492 1.0782  .209 Uiso calc R 1 . . H
  H1S2  .6975  .4416 1.1370  .209 Uiso calc R 1 . . H
  Cl1  .7014(14)  .4321(6) 1.0158(7)  .236(6) Uani d . 1 . . Cl
  Cl2  .6532(15)  .5307(6) 1.0957(10)  .279(8) Uani d . 1 . . Cl
  C11  .9236(14)  .3199(7)  .9208(8)  .051(4) Uani d . 1 . . C
  C12  .9385(15)  .3748(7)  .8838(10)  .057(4) Uani d . 1 . . C
  H12  .9060  .3762  .8340  .069 Uiso calc R 1 . . H
  C13  .997(2)  .4247(11)  .9161(14)  .097(8) Uani d . 1 . . C
  H13  .9957  .4616  .8910  .116 Uiso calc R 1 . . H
  C14 1.058(2)  .4198(11)  .9887(17)  .109(10) Uani d . 1 . . C
  H14 1.1069  .4529 1.0103  .130 Uiso calc R 1 . . H
  C15 1.0510(16)  .3653(11) 1.0324(11)  .079(6) Uani d . 1 . . C
  H15 1.0903  .3626 1.0814  .094 Uiso calc R 1 . . H
  C16  .9808(14)  .3184(8)  .9952(8)  .056(4) Uani d . 1 . . C
  H16  .9702  .2830 1.0209  .067 Uiso calc R 1 . . H
  C21  .7894(13)  .2092(9)  .9390(8)  .053(4) Uani d . 1 . . C
  C22  .8729(14)  .1699(8)  .9851(9)  .059(5) Uani d . 1 . . C
  H22  .9552  .1699  .9819  .071 Uiso calc R 1 . . H
  C23  .8391(17)  .1307(9) 1.0355(9)  .069(5) Uani d . 1 . . C
  H23  .8932  .1017 1.0620  .083 Uiso calc R 1 . . H
  C24  .7185(19)  .1382(8) 1.0434(9)  .061(5) Uani d . 1 . . C
  H24  .6941  .1144 1.0784  .074 Uiso calc R 1 . . H
  C25  .635(2)  .1772(11) 1.0041(15)  .106(10) Uani d . 1 . . C
  H25  .5564  .1813 1.0126  .127 Uiso calc R 1 . . H
  C26  .6714(18)  .2122(9)  .9486(11)  .069(5) Uani d . 1 . . C
  H26  .6136  .2375  .9185  .083 Uiso calc R 1 . . H
  C31  .7043(13)  .2914(7)  .8160(8)  .044(4) Uani d . 1 . . C
  C32  .6571(16)  .2767(9)  .7432(10)  .070(5) Uani d . 1 . . C
  H32  .6944  .2461  .7213  .084 Uiso calc R 1 . . H
  C33  .5536(17)  .3082(9)  .7035(10)  .077(6) Uani d . 1 . . C
  H33  .5258  .2997  .6543  .092 Uiso calc R 1 . . H
  C34  .4908(18)  .3518(9)  .7346(12)  .078(6) Uani d . 1 . . C
  H34  .4161  .3685  .7090  .093 Uiso calc R 1 . . H
  C35  .5410(18)  .3683(8)  .8015(11)  .071(5) Uani d . 1 . . C
  H35  .5045  .4010  .8207  .085 Uiso calc R 1 . . H
  C36  .6479(15)  .3400(8)  .8473(10)  .063(5) Uani d . 1 . . C
  H36  .6788  .3526  .8950  .075 Uiso calc R 1 . . H
  C41 1.2332(14)  .2579(8)  .8983(8)  .052(4) Uani d . 1 . . C
  C42 1.3487(14)  .2859(9)  .9028(8)  .063(5) Uani d . 1 . . C
  H42 1.3779  .2910  .8611  .075 Uiso calc R 1 . . H
  C43 1.4201(17)  .3062(9)  .9697(11)  .073(6) Uani d . 1 . . C
  H43 1.4906  .3301  .9725  .088 Uiso calc R 1 . . H
  C44 1.3814(19)  .2891(9) 1.0335(10)  .075(6) Uani d . 1 . . C
  H44 1.4253  .3036 1.0784  .090 Uiso calc R 1 . . H
  C45 1.2811(15)  .2518(11) 1.0296(9)  .077(6) Uani d . 1 . . C
  H45 1.2650  .2354 1.0717  .093 Uiso calc R 1 . . H
  C46 1.2030(15)  .2383(9)  .9626(9)  .066(5) Uani d . 1 . . C
  H46 1.1304  .2162  .9602  .080 Uiso calc R 1 . . H
  C51 1.2261(17)  .2088(9)  .7569(11)  .070(5) Uani d . 1 . . C
  C52 1.2156(17)  .2249(9)  .6870(9)  .064(5) Uani d . 1 . . C
  H52 1.1575  .2549  .6673  .077 Uiso calc R 1 . . H
  C53 1.285(3)  .1999(14)  .6430(12)  .119(10) Uani d . 1 . . C
  H53 1.2719  .2091  .5939  .143 Uiso calc R 1 . . H
  C54 1.380(3)  .1583(12)  .6804(16)  .106(8) Uani d . 1 . . C
  H54 1.4308  .1403  .6539  .127 Uiso calc R 1 . . H
  C55 1.3987(19)  .1439(11)  .7501(13)  .089(7) Uani d . 1 . . C
  H55 1.4605  .1159  .7708  .107 Uiso calc R 1 . . H
  C56 1.3251(16)  .1710(8)  .7922(10)  .065(5) Uani d . 1 . . C
  H56 1.3412  .1643  .8419  .078 Uiso calc R 1 . . H
  C61 1.0802(13)  .3109(8)  .7662(7)  .048(4) Uani d . 1 . . C
  C62 1.1417(18)  .3676(11)  .7779(12)  .089(7) Uani d . 1 . . C
  H62 1.2144  .3695  .8142  .107 Uiso calc R 1 . . H
  C63 1.104(2)  .4192(10)  .7410(12)  .094(7) Uani d . 1 . . C
  H63 1.1508  .4552  .7504  .113 Uiso calc R 1 . . H
  C64  .995(3)  .4183(12)  .6887(12)  .107(8) Uani d . 1 . . C
  H64  .9718  .4534  .6605  .128 Uiso calc R 1 . . H
  C65  .920(2)  .3694(13)  .6768(13)  .101(8) Uani d . 1 . . C
  H65  .8419  .3713  .6455  .121 Uiso calc R 1 . . H
  C66  .9646(18)  .3153(9)  .7133(11)  .076(6) Uani d . 1 . . C
  H66  .9165  .2798  .7027  .092 Uiso calc R 1 . . H
  B1  .867(2)  .0549(13)  .7068(16)  .093(9) Uani d . 1 . . B
  H1  .8565  .0364  .6517  .112 Uiso calc R 1 . . H
  B2  .8220(19)  .1309(10)  .7169(9)  .060(5) Uani d . 1 . . B
  H2  .7855  .1610  .6700  .072 Uiso calc R 1 . . H
  B3  .9944(18)  .1100(10)  .7439(12)  .069(6) Uani d . 1 . . B
  H3 1.0628  .1276  .7154  .082 Uiso calc R 1 . . H
  B4  .994(2)  .0284(11)  .7733(13)  .075(7) Uani d . 1 . . B
  H4 1.0580  -.0064  .7613  .090 Uiso calc R 1 . . H
  B5  .8409(17)  .0082(10)  .7744(13)  .068(6) Uani d . 1 . . B
  H5  .8130  -.0406  .7674  .081 Uiso calc R 1 . . H
  B6  .7301(18)  .0702(10)  .7331(9)  .062(6) Uani d . 1 . . B
  H6  .6370  .0624  .6984  .074 Uiso calc R 1 . . H
  B8 1.0450(19)  .0912(7)  .8356(11)  .056(5) Uani d . 1 . . B
  B9  .950(2)  .0303(12)  .8594(18)  .093(9) Uani d . 1 . . B
  H9  .9833  .0151  .9159  .112 Uiso calc R 1 . . H
  B10  .775(2)  .0541(11)  .8289(12)  .072(6) Uani d . 1 . . B
  H10  .7285  .0473  .8735  .087 Uiso calc R 1 . . H
  B11  .7545(17)  .1324(10)  .7944(10)  .060(6) Uani d . 1 . . B
  H11  .6965  .1612  .8210  .072 Uiso calc R 1 . . H
  H1U  .965(13)  .088(6)  .876(7)  .05(4) Uiso calc R 1 . . H
  H2U  .83(3)  .091(15)  .875(17)  .22(14) Uiso calc R 1 . . H
  O1 1.1626(10)  .0994(6)  .8792(7)  .075(4) Uani d . 1 . . O
  C1 1.222(2)  .0542(9)  .9286(13)  .092(7) Uani d . 1 . . C
  H1A 1.1781  .0093  .9120  .110 Uiso calc R 1 . . H
  C2 1.359(3)  .0482(14)  .933(2)  .182(16) Uani d . 1 . . C
  H2A 1.3808  .0688  .8845  .219 Uiso calc R 1 . . H
  H2B 1.3854  -.0009  .9365  .219 Uiso calc R 1 . . H
  H2C 1.4120  .0725  .9816  .219 Uiso calc R 1 . . H
  C3 1.203(3)  .0700(14) 1.0026(15)  .167(15) Uani d . 1 . . C
  H3A 1.2629  .1092 1.0253  .201 Uiso calc R 1 . . H
  H3B 1.2267  .0297 1.0385  .201 Uiso calc R 1 . . H
  H3C 1.1056  .0827  .9978  .201 Uiso calc R 1 . . H
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
  Pt7  .0344(3)  .0528(4)  .0365(3)  .0006(3)  .0093(2)  -.0030(3)
  P1  .036(2)  .053(2)  .040(2)  -.0005(17)  .0087(16)  -.0039(18)
  P2  .038(2)  .061(3)  .040(2)  -.0033(18)  .0133(17)  -.0033(18)
  C1S  .33(5)  .083(19)  .16(3)  .09(3)  .16(3)  .057(19)
  Cl1  .315(17)  .222(12)  .200(11)  -.009(12)  .119(11)  -.081(10)
  Cl2  .281(16)  .181(12)  .42(2)  -.024(11)  .178(16)  -.140(14)
  C11  .049(9)  .052(9)  .054(9)  .017(8)  .014(7)  -.019(8)
  C12  .063(11)  .034(9)  .084(12)  -.001(8)  .034(9)  .001(8)
  C13  .099(18)  .091(17)  .103(18)  -.047(14)  .030(14)  -.032(14)
  C14  .093(18)  .089(18)  .17(3)  -.039(14)  .085(19)  -.068(18)
  C15  .042(10)  .117(18)  .070(13)  .007(11)  -.001(9)  -.034(13)
  C16  .043(8)  .080(12)  .049(9)  -.022(9)  .022(7)  -.003(9)
  C21  .032(8)  .084(12)  .045(9)  -.003(8)  .011(7)  -.015(8)
  C22  .037(8)  .082(13)  .059(10)  .006(8)  .014(7)  .026(9)
  C23  .063(12)  .084(14)  .055(10)  -.022(10)  .000(9)  .010(10)
  C24  .078(13)  .054(11)  .050(10)  -.004(10)  .010(9)  .009(8)
  C25  .090(17)  .108(19)  .15(2)  -.053(15)  .093(18)  -.048(18)
  C26  .066(12)  .059(11)  .088(14)  .008(9)  .032(11)  .002(10)
  C31  .036(8)  .056(9)  .044(8)  .012(7)  .018(7)  -.006(7)
  C32  .053(11)  .083(14)  .068(12)  -.007(10)  .003(9)  -.011(10)
  C33  .071(13)  .087(15)  .060(12)  .026(11)  -.007(10)  .005(10)
  C34  .066(13)  .072(13)  .085(14)  .024(11)  -.001(11)  -.003(11)
  C35  .073(13)  .052(11)  .094(15)  .006(10)  .034(11)  .013(10)
  C36  .053(10)  .064(11)  .078(12)  .001(8)  .027(9)  .038(9)
  C41  .040(8)  .081(12)  .046(9)  -.001(8)  .027(7)  -.020(8)
  C42  .032(8)  .117(15)  .038(8)  -.010(9)  .006(7)  .004(9)
  C43  .053(10)  .091(15)  .076(13)  -.029(10)  .015(9)  -.022(11)
  C44  .078(14)  .076(13)  .056(11)  .020(11)  -.016(10)  -.025(10)
  C45  .039(10)  .14(2)  .045(10)  -.014(11)  -.004(8)  -.003(11)
  C46  .041(9)  .103(15)  .050(10)  .005(9)  .001(8)  -.028(10)
  C51  .055(11)  .073(12)  .088(14)  -.001(9)  .029(10)  .031(11)
  C52  .066(12)  .087(14)  .041(9)  .002(10)  .019(8)  .006(9)
  C53  .14(2)  .18(3)  .054(13)  .03(2)  .047(15)  .006(15)
  C54  .12(2)  .111(19)  .11(2)  -.004(16)  .074(18)  -.040(17)
  C55  .073(14)  .111(18)  .094(16)  .035(13)  .041(12)  -.016(14)
  C56  .056(11)  .070(13)  .070(11)  .000(9)  .017(9)  -.020(9)
  C61  .033(7)  .075(11)  .034(7)  .014(8)  .007(6)  .001(8)
  C62  .052(11)  .095(16)  .109(17)  .014(11)  -.003(11)  .048(14)
  C63  .106(18)  .069(14)  .090(16)  -.011(13)  -.009(13)  .015(12)
  C64  .13(2)  .091(18)  .087(17)  .010(17)  .001(16)  .034(14)
  C65  .081(16)  .13(2)  .086(16)  -.007(16)  .008(13)  .017(16)
  C66  .074(13)  .073(13)  .086(14)  .028(11)  .025(11)  .033(11)
  B1  .061(14)  .11(2)  .11(2)  .000(14)  .019(14)  -.049(18)
  B2  .062(12)  .086(15)  .032(9)  .013(11)  .010(8)  .000(9)
  B3  .047(11)  .068(13)  .098(16)  .016(10)  .031(11)  -.048(12)
  B4  .061(13)  .072(15)  .096(17)  -.008(12)  .024(12)  -.035(13)
  B5  .038(10)  .051(12)  .112(18)  -.012(9)  .015(11)  -.014(12)
  B6  .051(12)  .084(15)  .040(10)  -.005(11)  -.008(9)  -.031(10)
  B8  .067(13)  .012(7)  .074(13)  .004(8)  -.014(10)  .013(8)
  B9  .046(13)  .087(19)  .14(2)  -.007(12)  .011(14)  .038(18)
  B10  .070(15)  .072(15)  .072(14)  -.001(12)  .015(12)  -.007(12)
  B11  .045(10)  .080(15)  .058(11)  -.039(10)  .022(9)  -.017(10)
  O1  .044(7)  .076(9)  .105(10)  .021(6)  .020(7)  .034(8)
  C1  .097(17)  .048(12)  .111(18)  -.013(11)  -.013(14)  .017(12)
  C2  .11(2)  .14(3)  .27(4)  .09(2)  .00(3)  .08(3)
  C3  .24(4)  .15(3)  .10(2)  .08(3)  .02(2)  .09(2)
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
  Pt7 B3 . 2.178(16) ?
  Pt7 B2 . 2.24(2) ?
  Pt7 B8 . 2.308(16) ?
  Pt7 B11 . 2.326(16) ?
  Pt7 P2 . 2.366(4) ?
  Pt7 P1 . 2.376(4) ?
  P1 C11 . 1.810(16) ?
  P1 C31 . 1.821(15) ?
  P1 C21 . 1.821(17) ?
  P2 C61 . 1.776(17) ?
  P2 C41 . 1.823(16) ?
  P2 C51 . 1.822(19) ?
  C1S Cl2 . 1.48(3) ?
  C1S Cl1 . 1.73(3) ?
  C11 C16 . 1.40(2) ?
  C11 C12 . 1.41(2) ?
  C12 C13 . 1.33(2) ?
  C13 C14 . 1.39(3) ?
  C14 C15 . 1.46(3) ?
  C15 C16 . 1.37(2) ?
  C21 C26 . 1.37(2) ?
  C21 C22 . 1.40(2) ?
  C22 C23 . 1.40(2) ?
  C23 C24 . 1.39(3) ?
  C24 C25 . 1.34(3) ?
  C25 C26 . 1.43(3) ?
  C31 C32 . 1.39(2) ?
  C31 C36 . 1.42(2) ?
  C32 C33 . 1.39(2) ?
  C33 C34 . 1.38(3) ?
  C34 C35 . 1.31(3) ?
  C35 C36 . 1.43(2) ?
  C41 C42 . 1.40(2) ?
  C41 C46 . 1.41(2) ?
  C42 C43 . 1.40(2) ?
  C43 C44 . 1.43(3) ?
  C44 C45 . 1.37(3) ?
  C45 C46 . 1.39(2) ?
  C51 C52 . 1.35(2) ?
  C51 C56 . 1.41(2) ?
  C52 C53 . 1.37(3) ?
  C53 C54 . 1.44(4) ?
  C54 C55 . 1.33(3) ?
  C55 C56 . 1.40(2) ?
  C61 C62 . 1.40(3) ?
  C61 C66 . 1.43(2) ?
  C62 C63 . 1.33(3) ?
  C63 C64 . 1.37(3) ?
  C64 C65 . 1.33(3) ?
  C65 C66 . 1.39(3) ?
  B1 B5 . 1.71(4) ?
  B1 B6 . 1.74(3) ?
  B1 B2 . 1.74(3) ?
  B1 B4 . 1.75(4) ?
  B1 B3 . 1.86(3) ?
  B2 B6 . 1.74(3) ?
  B2 B11 . 1.80(3) ?
  B2 B3 . 1.92(3) ?
  B3 B8 . 1.75(3) ?
  B3 B4 . 1.85(3) ?
  B4 B5 . 1.76(3) ?
  B4 B8 . 1.80(3) ?
  B4 B9 . 1.81(4) ?
  B5 B10 . 1.72(3) ?
  B5 B9 . 1.84(4) ?
  B5 B6 . 1.86(3) ?
  B6 B11 . 1.76(3) ?
  B6 B10 . 1.80(3) ?
  B8 O1 . 1.38(2) ?
  B8 B9 . 1.81(3) ?
  B9 B10 . 1.96(3) ?
  B10 B11 . 1.81(3) ?
  O1 C1 . 1.41(2) ?
  C1 C2 . 1.51(3) ?
  C1 C3 . 1.51(3) ?