#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002060.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_2002060
_journal_name_full 'Acta Crystallographica, Section C'
_journal_year 1993
_journal_volume C49
_journal_page_first 85
_journal_page_last 87
loop_
_publ_author_name
'Blake, J.'
'Halcrow, M.A.'
'Schroder, M.'
_chemical_formula_moiety 'C25 H27 O1 P1 Rh1 S3,F6 P1'
_chemical_formula_sum 'C25 H27 F6 O1 P2 Rh1 S3'
_chemical_formula_weight 718.45
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'P nma'
_symmetry_space_group_name_Hall ?
_cell_length_a 12.4367(8)
_cell_length_b 12.7190(6)
_cell_length_c 18.0229(8)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume 2850.9
_cell_formula_units_Z 4
_exptl_crystal_density_diffrn 1.674
_exptl_crystal_density_meas ?
_exptl_crystal_F_000 1448
_exptl_absorpt_coefficient_mu 0.968
_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
Rh .10867(7) .2500 .13271(4) .0445(5)
S(1) .2894(3) .2500 .16778(17) .0637(16)
C(2) .3541(3) .3442(7) .1054(4) .054(2)
C(12) .3326(6) .3778(4) .1320(5) .064(2)
C(3) .2758(6) .4322(4) .0872(5) .068(2)
C(13) .3057(2)   .3853(8) .0500(4) .074(2)
S(4) .15987(18) .37829(17) .03763(13) .0654(12)
C(5) .2304(9) .30018(10) -.0323(5) .124(3)
C(15) .1678(10) .30013(10) -.04745(19) .046(2)
P -.0708(2)   .2500 .10245(16) .0411(14)
C(21) -.2535(4) .3784(3) .1130(3)   .070(2)
C(22) -.3128(4) .4624(3) .1414(3)   .095(2)
C(23) -.2651(4) .5326(3) .1909(3)   .108(2)
C(24) -.1582(4) .5188(3) .2121(3)   .106(2)
C(25) -.0989(4) .4349(3) .1837(3)   .073(2)
C(26) -.1465(4) .3646(3) .1342(3)   .048(2)
C(31) -.0935(5) .3436(3) -.0364(3) .053(2)
C(32) -.0953(5) .3428(3) -.1138(3) .068(2)
C(33) -.0966(5) .2500 -.1520(3) .072(2)
C(34) -.0923(5) .2500 .0025(3) .041(2)
C .0719(9) .2500 .2309(6) .065(2)
O .0521(7) .2500 .2921(4) .092(2)
P(1) .0478(3) .2500 -.3979(2)   .0773(18)
F(1) -.0533(19) .2500 -.4265(18) .373(3)
F(2) .1549(13) .2500 -.4343(14) .186(3)
F(3) -.0644(13) .2500 -.3638(11) .153(3)
F(4) .0916(18) .2500 -.3174(9) .171(3)
F(5) .0038(16) .1405(13) -.3933(14) .264(3)
F(6) .1302(14) .1607(13) -.4068(12) .219(3)
F(7) .0203(15) .18961(15) -.4668(8) .247(3)
F(8) .012(2)   .1809(19) -.3279(16) .162(3)
F(9) .0991(18) .1744(19) -.3531(14) .129(3)
H(2A) .3774 .3047 .0548 .0800
H(2B) .4245 .3766 .1319 .0800
H(12A) .4183 .3862 .1395 .0800
H(12B) .2915 .4397 .1617 .0800
H(3A) .3153 .4900 .0528 .0800
H(3B) .2491 .4689 .1381 .0800
H(13A) .3434 .3210 .0207 .0800
H(13B) .3351 .4590 .0282 .0800
H(5A) .3097 .2805 -.0122 .0800
H(5B) .2373 .3451 -.0830 .0800
H(15A) .2081 .3450 -.0900 .0800
H(15B) .0876 .2804 -.0658 .0800
H(21) -.2904 .3240 .0747 .0800
H(22) -.3956 .4730 .1250 .0800
H(23) -.3110 .5976 .2129 .0800
H(24) -.1212 .5732 .2504 .0800
H(25) -.0160 .4242 .2000 .0800
H(31) -.0926 .4174 -.0068 .0800
H(32) -.0958 .4160 -.1441 .0800
H(33) -.0973 .2499 -.2122 .0800