#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000537.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_2000537
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1992
_journal_volume 48
_journal_page_first  1832
_journal_page_last  1834
loop_
_publ_author_name
 'Rheingold, A.L.'
 'White, C.B.'
 'Haggerty, B.S.'
 'Terry, M.R.'
 'Geoffroy, G.L.'
_chemical_formula_moiety  'C43 H37 Mn1 O1 P2,C1 H2 Cl2'
_chemical_formula_sum  'C44 H39 Cl2 Mn1 O1 P2'
_chemical_formula_weight  771.53
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  ?
_cell_length_a  9.875(3)
_cell_length_b  14.794(5)
_cell_length_c  14.917(5)
_cell_angle_alpha  71.99(2)
_cell_angle_beta  70.41(2)
_cell_angle_gamma  74.67(2)
_cell_volume  1920.8(9)
_cell_formula_units_Z  2
_exptl_crystal_density_diffrn  1.334
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  800
_exptl_absorpt_coefficient_mu  0.580
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71073
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 Mn .59018(6) .22329(4) .30431(4) .0313(2)
 P(1) .36200(10)
      .30380(10)
         .31550(10)
         .0320(10)
 P(2) .63590(10)
      .14630(10)
         .18640(10)
         .0370(10)
 O(1) .7219(3) .3847(2) .1638(2) .0620(10)
 C(1) .6647(4) .3205(3) .2174(3) .041(2)
 C(2) .5573(5) .2166(3) .4552(3) .046(2)
 C(3) .5393(5) .1278(3) .4475(3) .046(2)
 C(4) .6733(5) .0865(3) .3903(3) .046(2)
 C(5) .7723(4) .1488(3) .3626(3) .047(2)
 C(6) .7020(4) .2308(3) .4036(3) .045(2)
 C(7) .7748(5) .3084(4) .3982(4) .066(2)
 C(11) .1865(3) .1624(2) .3913(2) .050(2)
 C(12) .0962 .1031 .4658 .068(2)
 C(13) .0441 .1185 .5601 .073(2)
 C(14) .0822 .1932 .5799 .067(2)
 C(15) .1725 .2524 .5053 .052(2)
 C(16) .2247 .2371 .4110 .039(2)
 C(21) .1711(2) .4692(2) .3675(2) .053(2)
 C(22) .1350 .5592 .3894 .067(2)
 C(23) .2426 .5991 .3971 .071(3)
 C(24) .3893 .5491 .3827 .066(3)
 C(25) .4224 .4591 .3607 .050(2)
 C(26) .3148 .4192 .3531 .038(2)
 C(31) .3563 .4242 .1346(2) .043(2)
 C(32) .3007 .4739 .0547 .050(2)
 C(33) .1725 .4550 .0500 .057(2)
 C(34) .0998 .3864 .1251 .061(2)
 C(35) .1553 .3366 .2051 .052(2)
 C(36) .2835 .3555 .2098 .0360(10)
 C(41) .4676(3) .2227(2) .0542(2) .053(2)
 C(42) .4375 .2748 -.0345 .071(3)
 C(43) .5453 .3178 -.1117 .081(3)
 C(44) .6831 .3086 -.1002 .085(3)
 C(45) .7132 .2565 -.0115 .067(2)
 C(46) .6054 .2136 .0657 .044(2)
 C(51) .4662(3) .0025(2) .2997(2) .050(2)
 C(52) .4040 -.0773 .3150 .071(3)
 C(53) .4268 -.1181 .2372 .081(3)
 C(54) .5119 -.0791 .1441 .083(3)
 C(55) .5742 .0007 .1288 .065(2)
 C(56) .5513 .0415 .2066 .044(2)
 C(61) .9346(4) .1526(2) .1269(3) .074(3)
 C(62) 1.0834 .1137 .1084 .112(4)
 C(63) 1.1305 .0146 .1168 .132(5)
 C(64) 1.0287 -.0456 .1436 .115(4)
 C(65) .8799 -.0067 .1621 .078(3)
 C(66) .8328 .0924 .1537 .053(2)
 Cl(1) .7766(3) .5824(3) .3413(2) .192(2)
 Cl(2) .8834(4) .7049(3) .1513(3) .267(3)
 C(s) .8578(15) .5910(7) .2166(8) .240(10)