data_2011677
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  52
_journal_page_last  54
_publ_section_title
;
[\m-6,9-Cl-8-(OMe)-6,9-(\h^5^-(C~5~Me~5~)~2~-arachno-6,9,5-
Rh~2~SB~7~H~7~]
;
loop_
_publ_author_name
  'Bould, Jonathan'
  'Brownless, Annette'
  'Kilner, Colin'
  'Londesborough, Michael'
  "\<St\'ibr, Bohumil"
  'Kennedy, John D.'
  'Thornton-Pett, Mark'
_chemical_formula_moiety  'C21 H40 B7 Cl O Rh2 S'
_chemical_formula_sum  'C21 H40 B7 Cl O Rh2 S'
_chemical_formula_iupac  '[Rh2 (B7 H7 S)(C10 H15 )2 (CH3 O)Cl]'
_chemical_formula_weight  657.53
_symmetry_cell_setting  Tetragonal
_symmetry_space_group_name_H-M  'P -4'
_symmetry_space_group_name_Hall  'P -4'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  'y, -x, -z'
  '-x, -y, z'
  '-y, x, -z'
_cell_length_a  18.1926(2)
_cell_length_b  18.1926(2)
_cell_length_c  8.44420(10)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  2794.78(5)
_cell_formula_units_Z  4
_cell_measurement_temperature  150(2)
_exptl_crystal_density_diffrn  1.563
_diffrn_ambient_temperature  150(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
  Rh6  .988741(18)  .308783(19)  .33706(4)  .02450(11) Uani d . 1 . . Rh
  C61 1.1008(2)  .3155(3)  .2876(6)  .0337(10) Uani d . 1 . . C
  C62 1.0809(2)  .3755(3)  .3830(6)  .0328(10) Uani d . 1 . . C
  C63 1.0564(3)  .3474(3)  .5338(6)  .0328(10) Uani d . 1 . . C
  C64 1.0601(3)  .2717(3)  .5297(6)  .0354(11) Uani d . 1 . . C
  C65 1.0879(3)  .2505(3)  .3777(6)  .0349(11) Uani d . 1 . . C
  C66 1.1352(3)  .3185(4)  .1283(6)  .0440(13) Uani d . 1 . . C
  H66A 1.1173  .3619  .0714  .066 Uiso calc R 1 . . H
  H66B 1.1223  .2741  .0688  .066 Uiso calc R 1 . . H
  H66C 1.1888  .3214  .1395  .066 Uiso calc R 1 . . H
  C67 1.0909(3)  .4497(3)  .3438(8)  .0465(13) Uani d . 1 . . C
  H67A 1.1429  .4627  .3558  .070 Uiso calc R 1 . . H
  H67B 1.0612  .4804  .4144  .070 Uiso calc R 1 . . H
  H67C 1.0757  .4579  .2339  .070 Uiso calc R 1 . . H
  C68 1.0333(3)  .3908(3)  .6716(7)  .0454(13) Uani d . 1 . . C
  H68A  .9954  .3638  .7303  .068 Uiso calc R 1 . . H
  H68B 1.0133  .4380  .6359  .068 Uiso calc R 1 . . H
  H68C 1.0757  .3995  .7407  .068 Uiso calc R 1 . . H
  C69 1.0384(3)  .2214(3)  .6603(7)  .0451(13) Uani d . 1 . . C
  H69A 1.0812  .2114  .7275  .068 Uiso calc R 1 . . H
  H69B 1.0201  .1752  .6157  .068 Uiso calc R 1 . . H
  H69C  .9997  .2445  .7239  .068 Uiso calc R 1 . . H
  C70 1.1035(3)  .1778(3)  .3257(8)  .0482(13) Uani d . 1 . . C
  H70A 1.1004  .1756  .2100  .072 Uiso calc R 1 . . H
  H70B 1.0678  .1437  .3720  .072 Uiso calc R 1 . . H
  H70C 1.1532  .1639  .3595  .072 Uiso calc R 1 . . H
  Rh9  .785635(17)  .344798(18)  .28884(4)  .02386(11) Uani d . 1 . . Rh
  C91  .7176(3)  .4090(3)  .4566(7)  .0363(11) Uani d . 1 . . C
  C92  .6971(3)  .3361(3)  .4660(6)  .0359(11) Uani d . 1 . . C
  C93  .6731(3)  .3157(3)  .3151(7)  .0413(12) Uani d . 1 . . C
  C94  .6806(3)  .3760(3)  .2111(7)  .0427(12) Uani d . 1 . . C
  C95  .7052(3)  .4348(3)  .3021(8)  .0435(13) Uani d . 1 . . C
  C96  .7443(3)  .4500(4)  .5952(10)  .068(2) Uani d . 1 . . C
  H96A  .7023  .4675  .6573  .101 Uiso calc R 1 . . H
  H96B  .7736  .4921  .5598  .101 Uiso calc R 1 . . H
  H96C  .7748  .4178  .6610  .101 Uiso calc R 1 . . H
  C97  .7013(4)  .2899(4)  .6122(8)  .066(2) Uani d . 1 . . C
  H97A  .6901  .2387  .5855  .099 Uiso calc R 1 . . H
  H97B  .6655  .3079  .6900  .099 Uiso calc R 1 . . H
  H97C  .7509  .2930  .6570  .099 Uiso calc R 1 . . H
  C98  .6414(3)  .2468(4)  .2653(11)  .077(3) Uani d . 1 . . C
  H98A  .6578  .2075  .3363  .115 Uiso calc R 1 . . H
  H98B  .6571  .2358  .1569  .115 Uiso calc R 1 . . H
  H98C  .5877  .2504  .2689  .115 Uiso calc R 1 . . H
  C99  .6553(4)  .3819(7)  .0430(8)  .095(4) Uani d . 1 . . C
  H99A  .6949  .4025  -.0220  .143 Uiso calc R 1 . . H
  H99B  .6122  .4141  .0376  .143 Uiso calc R 1 . . H
  H99C  .6422  .3330  .0034  .143 Uiso calc R 1 . . H
  C100  .7135(4)  .5096(4)  .2467(13)  .086(3) Uani d . 1 . . C
  H10A  .7389  .5095  .1442  .129 Uiso calc R 1 . . H
  H10B  .7424  .5377  .3236  .129 Uiso calc R 1 . . H
  H10C  .6650  .5322  .2346  .129 Uiso calc R 1 . . H
  B1  .8735(4)  .2217(4)  .0659(7)  .0405(14) Uani d . 1 . . B
  H1  .8666  .1717  -.0101  .049 Uiso calc R 1 . . H
  B2  .9609(3)  .2638(4)  .0977(7)  .0373(12) Uani d . 1 . . B
  H2 1.0112  .2402  .0408  .045 Uiso calc R 1 . . H
  B3  .8963(3)  .3048(4)  -.0186(6)  .0379(13) Uani d . 1 . . B
  H3  .9042  .3089  -.1498  .045 Uiso calc R 1 . . H
  B4  .8104(3)  .2900(4)  .0689(7)  .0359(13) Uani d . 1 . . B
  H4  .7604  .2836  -.0072  .043 Uiso calc R 1 . . H
  S5  .91537(7)  .21050(6)  .27978(17)  .0352(3) Uani d . 1 . . S
  B7  .9507(3)  .3580(3)  .1056(6)  .0298(11) Uani d . 1 . . B
  H7  .9839  .3973  .0588  .036 Uiso d . 1 . . H
  H78  .9077  .3872  .1794  .036 Uiso d . 1 . . H
  B8  .8529(3)  .3768(3)  .0843(6)  .0279(10) Uani d . 1 . . B
  B10  .8186(3)  .2385(3)  .2407(7)  .0368(12) Uani d . 1 . . B
  H10  .7743  .1987  .2705  .044 Uiso d . 1 . . H
  Cl69  .88523(6)  .35823(6)  .46435(13)  .0277(2) Uani d . 1 . . Cl
  O81  .82880(19)  .4375(2)  .0078(4)  .0381(8) Uani d . 1 . . O
  C81  .8741(3)  .4740(3)  -.0995(7)  .0412(12) Uani d . 1 . . C
  H81A  .9116  .5018  -.0415  .062 Uiso calc R 1 . . H
  H81B  .8445  .5079  -.1634  .062 Uiso calc R 1 . . H
  H81C  .8980  .4381  -.1689  .062 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
  Rh6  .02247(17)  .02950(19)  .02152(16)  .00049(13)  .00129(12)  -.00361(13)
  C61  .025(2)  .049(3)  .027(2)  -.0015(19)  -.0004(19)  -.005(2)
  C62  .0153(19)  .046(3)  .038(3)  .0017(18)  -.0023(17)  -.005(2)
  C63  .024(2)  .049(3)  .025(2)  -.002(2)  -.0031(18)  -.007(2)
  C64  .025(2)  .055(3)  .027(2)  .007(2)  .0005(18)  .002(2)
  C65  .027(2)  .049(3)  .029(2)  .011(2)  -.0020(18)  -.005(2)
  C66  .028(2)  .072(4)  .031(3)  .004(2)  .010(2)  .004(2)
  C67  .037(3)  .042(3)  .060(3)  -.010(2)  .002(3)  -.004(3)
  C68  .030(2)  .069(4)  .037(3)  -.005(2)  .000(2)  -.024(3)
  C69  .037(3)  .062(3)  .036(3)  .010(2)  .002(2)  .015(3)
  C70  .046(3)  .045(3)  .053(3)  .020(2)  .005(3)  -.004(3)
  Rh9  .02126(17)  .02690(18)  .02341(16)  -.00525(12)  .00095(12)
  -.00162(13)
  C91  .022(2)  .038(3)  .048(3)  .0045(19)  .005(2)  -.014(2)
  C92  .030(2)  .042(3)  .035(2)  -.001(2)  .011(2)  .000(2)
  C93  .023(2)  .047(3)  .054(3)  -.008(2)  .005(2)  -.016(3)
  C94  .020(2)  .074(4)  .034(3)  .001(2)  .002(2)  .000(3)
  C95  .026(2)  .042(3)  .062(4)  .004(2)  .010(2)  .010(3)
  C96  .039(3)  .080(5)  .084(5)  .000(3)  -.004(3)  -.053(4)
  C97  .066(4)  .074(5)  .058(4)  .014(4)  .033(3)  .028(3)
  C98  .031(3)  .075(5)  .123(7)  -.025(3)  .024(4)  -.053(5)
  C99  .036(3)  .217(12)  .033(3)  .032(5)  -.008(3)  -.007(5)
  C100  .045(3)  .052(4)  .160(9)  .021(3)  .026(5)  .050(5)
  B1  .040(3)  .042(3)  .039(3)  -.001(3)  -.003(3)  -.018(3)
  B2  .033(3)  .054(4)  .025(2)  .000(2)  -.002(2)  -.011(2)
  B3  .029(3)  .065(4)  .020(2)  .004(3)  .002(2)  -.011(2)
  B4  .030(3)  .048(3)  .029(3)  -.005(2)  -.002(2)  -.019(2)
  S5  .0370(6)  .0256(5)  .0430(6)  -.0017(4)  -.0017(5)  -.0044(5)
  B7  .029(2)  .040(3)  .021(2)  -.002(2)  .0028(19)  .001(2)
  B8  .026(2)  .035(3)  .023(2)  -.001(2)  .0005(19)  .003(2)
  B10  .042(3)  .030(3)  .039(3)  -.006(2)  -.003(2)  -.008(2)
  Cl69  .0216(5)  .0358(6)  .0256(5)  -.0003(4)  .0007(4)  -.0063(4)
  O81  .0296(17)  .048(2)  .0371(19)  .0013(15)  .0040(14)  .0162(16)
  C81  .037(3)  .053(3)  .034(2)  -.010(2)  -.001(2)  .014(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
  Rh6 C61 . 2.085(4) ?
  Rh6 C62 . 2.105(5) ?
  Rh6 C65 . 2.120(5) ?
  Rh6 C63 . 2.184(5) ?
  Rh6 C64 . 2.188(5) ?
  Rh6 B2 . 2.238(5) y
  Rh6 B7 . 2.259(5) y
  Rh6 S5 . 2.2831(12) y
  Rh6 Cl69 . 2.3475(11) y
  C61 C62 . 1.405(7) ?
  C61 C65 . 1.425(8) ?
  C61 C66 . 1.485(7) ?
  C62 C67 . 1.402(7) ?
  C62 C63 . 1.443(7) ?
  C63 C64 . 1.380(7) ?
  C63 C68 . 1.467(7) ?
  C64 C65 . 1.433(7) ?
  C64 C69 . 1.486(7) ?
  C65 C70 . 1.423(7) ?
  C66 H66A .  .9800 ?
  C66 H66B .  .9800 ?
  C66 H66C .  .9800 ?
  C67 H67A .  .9800 ?
  C67 H67B .  .9800 ?
  C67 H67C .  .9800 ?
  C68 H68A .  .9800 ?
  C68 H68B .  .9800 ?
  C68 H68C .  .9800 ?
  C69 H69A .  .9800 ?
  C69 H69B .  .9800 ?
  C69 H69C .  .9800 ?
  C70 H70A .  .9800 ?
  C70 H70B .  .9800 ?
  C70 H70C .  .9800 ?
  Rh9 B10 . 2.066(6) y
  Rh9 C94 . 2.099(5) ?
  Rh9 C93 . 2.126(5) ?
  Rh9 B4 . 2.156(5) y
  Rh9 B8 . 2.195(5) y
  Rh9 C95 . 2.199(5) ?
  Rh9 C92 . 2.203(5) ?
  Rh9 C91 . 2.214(5) ?
  Rh9 Cl69 . 2.3536(11) y
  C91 C92 . 1.379(7) ?
  C91 C95 . 1.405(9) ?
  C91 C96 . 1.471(8) ?
  C92 C93 . 1.398(8) ?
  C92 C97 . 1.495(8) ?
  C93 C94 . 1.412(8) ?
  C93 C98 . 1.441(8) ?
  C94 C95 . 1.391(9) ?
  C94 C99 . 1.495(8) ?
  C95 C100 . 1.447(8) ?
  C96 H96A .  .9800 ?
  C96 H96B .  .9800 ?
  C96 H96C .  .9800 ?
  C97 H97A .  .9800 ?
  C97 H97B .  .9800 ?
  C97 H97C .  .9800 ?
  C98 H98A .  .9800 ?
  C98 H98B .  .9800 ?
  C98 H98C .  .9800 ?
  C99 H99A .  .9800 ?
  C99 H99B .  .9800 ?
  C99 H99C .  .9800 ?
  C100 H10A .  .9800 ?
  C100 H10B .  .9800 ?
  C100 H10C .  .9800 ?
  B1 B4 . 1.691(9) y
  B1 B3 . 1.723(10) y
  B1 B2 . 1.786(9) y
  B1 B10 . 1.808(9) y
  B1 S5 . 1.971(6) y
  B1 H1 . 1.12 ?
  B2 B3 . 1.702(8) y
  B2 B7 . 1.725(8) y
  B2 S5 . 1.998(7) y
  B2 H2 . 1.12 ?
  B3 B7 . 1.736(8) y
  B3 B4 . 1.750(8) y
  B3 B8 . 1.760(8) y
  B3 H3 . 1.12 ?
  B4 B10 . 1.733(9) y
  B4 B8 . 1.764(8) y
  B4 H4 . 1.12 ?
  S5 B10 . 1.863(6) y
  B7 B8 . 1.820(7) y
  B7 H7 . 1.02 ?
  B7 H78 . 1.13 ?
  B8 O81 . 1.351(6) y
  B8 H78 . 1.29 ?
  B10 H10 . 1.11 ?
  O81 C81 . 1.394(6) ?
  C81 H81A .  .98 ?
  C81 H81B .  .98 ?
  C81 H81C .  .98 ?