data_2010367
_journal_name_full  'Acta Crystallographica'
_journal_year  1995
_journal_volume  C51
_journal_page_first  14
_journal_page_last  18
_publ_section_title
;
A Tetranuclear Butterfly Cluster of Molybdenum,
[PPh~4~]~2~[Mo~4~I~11~]
;
loop_
_publ_author_name
  'Gordon, J.C.'
  'Poli, R.'
_chemical_formula_sum  'C48 H40 I11 Mo4 P2'
_chemical_formula_weight  2458.5
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_cell_length_a  10.474(6)
_cell_length_b  12.862(5)
_cell_length_c  23.882(8)
_cell_angle_alpha  94.72(3)
_cell_angle_beta  91.80(5)
_cell_angle_gamma  107.98(5)
_cell_volume  3044(5)
_cell_formula_units_Z  2
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  '2.68'
_exptl_crystal_density_meas  2.56
_refine_ls_R_factor_obs  0.060
_refine_ls_wR_factor_obs  0.078
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  I(1) .0085(2) -.01710(10)
  .71882(8)
  I(2) .63230(10)
  .35830(10)
  .75412(8)
  I(3) .1386(2) .4661(2) .59111(8)
  I(4) .1514(2) .41970(10)
  .93927(7)
  I(13) -.0786(2) .24590(10)
  .67591(8)
  I(14) -.0635(2) .20880(10)
  .82592(8)
  I(23) .4226(2) .5420(2) .70010(10)
  I(24) .4364(2) .51990(10)
  .84860(8)
  I(34) .0843(2) .51890(10)
  .77417(8)
  I(123) .28880(10)
  .22690(10)
  .65588(6)
  I(124) .30270(10)
  .19580(10)
  .82728(7)
  Mo(1) .1183(2) .21450(10)
  .74476(8)
  Mo(2) .3646(2) .36360(10)
  .75694(8)
  Mo(3) .1751(2) .39180(10)
  .69709(8)
  Mo(4) .1827(2) .37010(10)
  .82332(9)
  P(1) .7544(5) .1533(4) .0669(3)
  P(2) .3888(6) .1828(4) .4381(3)
  C(10) .698(2) .2290(10)
  .0177(9)
  C(11) .580(2) .251(2) .0230(10)
  C(12) .533(2) .305(2) -.0180(10)
  C(13) .611(3) .339(2) -.0620(10)
  C(14) .731(3) .318(2) -.0660(10)
  C(15) .772(2) .261(2) -.0280(10)
  C(20) .629(2) .112(2) .1160(10)
  C(21) .543(2) -.0010(10)
  .1170(10)
  C(22) .441(2) -.026(2) .1530(10)
  C(23) .422(2) .054(2) .1910(10)
  C(24) .499(2) .156(2) .1930(10)
  C(25) .608(2) .189(2) .1560(10)
  C(30) .904(2) .2380(10)
  .1050(10)
  C(31) .952(2) .199(2) .1520(10)
  C(32) 1.080(2) .254(2) .1780(10)
  C(33) 1.156(2) .343(2) .1600(10)
  C(34) 1.116(2) .388(2) .1140(10)
  C(35) .989(2) .333(2) .0880(10)
  C(40) .784(2) .0370(10)
  .0310(10)
  C(41) .738(2) .005(2) -.0220(10)
  C(42) .759(3) -.090(2) -.0500(10)
  C(43) .827(2) -.149(2) -.0220(10)
  C(44) .875(2) -.115(2) .0310(10)
  C(45) .853(2) -.023(2) .0580(10)
  C(50) .504(2) .269(2) .4910(10)
  C(51) .484(2) .359(2) .5200(10)
  C(52) .569(3) .410(2) .5660(10)
  C(53) .674(3) .376(2) .5810(10)
  C(54) .700(3) .292(3) .552(2)
  C(55) .614(3) .237(2) .5060(10)
  C(60) .477(2) .131(2) .3840(10)
  C(61) .438(2) .023(2) .3640(10)
  C(62) .508(3) -.016(2) .3250(10)
  C(63) .619(4) .051(3) .3060(10)
  C(64) .664(3) .166(3) .329(2)
  C(65) .589(3) .198(2) .3680(10)
  C(70) .277(2) .0710(10)
  .4719(9)
  C(71) .308(2) .051(2) .5210(10)
  C(72) .218(3) -.038(2) .5470(10)
  C(73) .106(3) -.108(2) .514(2)
  C(74) .080(2) -.085(2) .4660(10)
  C(75) .162(2) .006(2) .4420(10)
  C(80) .287(2) .256(2) .4030(10)
  C(81) .293(3) .277(2) .3520(10)
  C(82) .218(3) .330(2) .3270(10)
  C(83) .130(4) .362(2) .357(2)
  C(84) .114(3) .345(2) .412(2)
  C(85) .196(2) .288(2) .4370(10)
  H11 .5276 .2293 .0558
  H12 .4445 .3142 -.0164
  H13 .5804 .3786 -.0895
  H14 .7888 .3462 -.0969
  H15 .8539 .2425 -.0324
  H21 .5593 -.0579 .0908
  H22 .3822 -.1004 .1520
  H23 .3513 .0339 .2179
  H24 .4805 .2100 .2178
  H25 .6687 .2631 .1596
  H31 .8967 .1343 .1665
  H32 1.1100 .2249 .2107
  H33 1.2435 .3786 .1780
  H34 1.1735 .4544 .1015
  H35 .9593 .3641 .0559
  H41 .6879 .0463 -.0401
  H42 .7268 -.1112 -.0893
  H43 .8409 -.2128 -.0413
  H44 .9233 -.1551 .0494
  H45 .8879 .0002 .0974
  H51 .4099 .3839 .5085
  H52 .5538 .4703 .5877
  H53 .7369 .4137 .6125
  H54 .7753 .2697 .5631
  H55 .6336 .1789 .4837
  H61 .3562 -.0279 .3768
  H62 .4769 -.0933 .3119
  H63 .6676 .0237 .2777
  H64 .7466 .2152 .3164
  H65 .6208 .2768 .3835
  H71 .3938 .0953 .5397
  H72 .2387 -.0474 .5872
  H73 .0490 -.1750 .5287
  H74 -.0035 -.1300 .4471
  H75 .1397 .0224 .4045
  H81 .3570 .2529 .3297
  H82 .2270 .3428 .2862
  H83 .0762 .4027 .3409
  H84 .0471 .3690 .4336
  H85 .1890 .2705 .4757
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
  I(1) Mo(1) 2.848(3) yes
  I(2) Mo(2) 2.829(3) yes
  I(3) Mo(3) 2.833(3) yes
  I(4) Mo(4) 2.843(3) yes
  I(13) Mo(1) 2.744(3) yes
  I(13) Mo(3) 2.743(3) yes
  I(14) Mo(1) 2.749(3) yes
  I(14) Mo(4) 2.773(3) yes
  I(23) Mo(2) 2.681(3) yes
  I(23) Mo(3) 2.707(3) yes
  I(24) Mo(2) 2.764(3) yes
  I(24) Mo(4) 2.772(3) yes
  I(34) Mo(3) 2.745(3) yes
  I(34) Mo(4) 2.760(3) yes
  I(123) Mo(1) 2.800(3) yes
  I(123) Mo(2) 2.804(3) yes
  I(123) Mo(3) 2.859(2) yes
  I(124) Mo(1) 2.793(3) yes
  I(124) Mo(2) 2.775(2) yes
  I(124) Mo(4) 2.895(3) yes
  Mo(1) Mo(2) 2.688(3) yes
  Mo(1) Mo(3) 2.547(3) yes
  Mo(1) Mo(4) 2.540(3) yes
  Mo(2) Mo(3) 2.543(3) yes
  Mo(2) Mo(4) 2.533(3) yes
  Mo(3) Mo(4) 3.051(3) yes
  P(1) C(10) 1.78(2) yes
  P(1) C(20) 1.78(2) yes
  P(1) C(30) 1.78(2) yes
  P(1) C(40) 1.78(2) yes
  P(2) C(50) 1.78(2) yes
  P(2) C(60) 1.81(2) yes
  P(2) C(70) 1.82(2) yes
  P(2) C(80) 1.86(2) yes
  C(10) C(11) 1.36(3) no
  C(10) C(15) 1.37(3) no
  C(11) H11 0.979 no
  C(11) C(12) 1.40(3) no
  C(12) H12 0.978 no
  C(12) C(13) 1.37(3) no
  C(13) H13 0.968 no
  C(13) C(14) 1.37(3) no
  C(14) H14 0.986 no
  C(14) C(15) 1.36(3) no
  C(15) H15 0.961 no
  C(20) C(25) 1.39(3) no
  C(20) C(21) 1.45(3) no
  C(21) H21 0.981 no
  C(21) C(22) 1.37(3) no
  C(22) H22 0.965 no
  C(22) C(23) 1.39(3) no
  C(23) H23 0.974 no
  C(23) C(24) 1.30(3) no
  C(24) H24 0.952 no
  C(24) C(25) 1.44(3) no
  C(25) H25 0.968 no
  C(30) C(35) 1.38(3) no
  C(30) C(31) 1.41(3) no
  C(31) H31 0.958 no
  C(31) C(32) 1.40(3) no
  C(32) H32 0.979 no
  C(32) C(33) 1.29(3) no
  C(33) H33 0.958 no
  C(33) C(34) 1.39(3) no
  C(34) H34 0.964 no
  C(34) C(35) 1.39(3) no
  C(35) H35 0.969 no
  C(40) C(41) 1.33(3) no
  C(40) C(45) 1.39(3) no
  C(41) H41 0.966 no
  C(41) C(42) 1.43(3) no
  C(42) H42 0.976 no
  C(42) C(43) 1.39(4) no
  C(43) H43 0.954 no
  C(43) C(44) 1.34(3) no
  C(44) H44 0.955 no
  C(44) C(45) 1.38(3) no
  C(45) H45 0.980 no
  C(50) C(51) 1.37(3) no
  C(50) C(55) 1.38(3) no
  C(51) H51 0.965 no
  C(51) C(52) 1.36(3) no
  C(52) H52 0.962 no
  C(52) C(53) 1.36(4) no
  C(53) H53 0.973 no
  C(53) C(54) 1.34(4) no
  C(54) H54 0.960 no
  C(54) C(55) 1.39(4) no
  C(55) H55 0.963 no
  C(60) C(65) 1.32(3) no
  C(60) C(61) 1.36(3) no
  C(61) H61 0.977 no
  C(61) C(62) 1.36(4) no
  C(62) H62 0.968 no
  C(62) C(63) 1.33(4) no
  C(63) H63 0.972 no
  C(63) C(64) 1.45(4) no
  C(64) H64 0.972 no
  C(64) C(65) 1.36(4) no
  C(65) H65 0.997 no
  C(70) C(71) 1.28(3) no
  C(70) C(75) 1.38(3) no
  C(71) H71 0.973 no
  C(71) C(72) 1.44(3) no
  C(72) H72 1.008 no
  C(72) C(73) 1.40(4) no
  C(73) H73 0.990 no
  C(73) C(74) 1.24(4) no
  C(74) H74 0.963 no
  C(74) C(75) 1.40(3) no
  C(75) H75 0.980 no
  C(80) C(81) 1.27(3) no
  C(80) C(85) 1.40(3) no
  C(81) H81 0.974 no
  C(81) C(82) 1.36(4) no
  C(82) H82 0.993 no
  C(82) C(83) 1.34(5) no
  C(83) H83 0.973 no
  C(83) C(84) 1.36(5) no
  C(84) H84 0.987 no
  C(84) C(85) 1.43(4) no
  C(85) H85 0.966 no