#------------------------------------------------------------------------------
#$Date: 2009-11-16 02:43:51 +0100 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: svn://www.crystallography.net/cod/cif/2/2200270.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_2200270
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  m259
_journal_page_last  m260
_publ_section_title
;
Dichloro(\h^5^-pentamethylcyclopentadienyl)(pyridine-N)rhodium
;
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/m'
loop_
_publ_author_name
  'Therrien, Bruno'
  'Burrell, Anthony K.'
_chemical_name_common  RhCl~2~(Cp^*^)(pyridine)
_chemical_formula_moiety  'C15 H20 Cl2 N Rh'
_chemical_formula_sum  'C15 H20 Cl2 N Rh'
_chemical_formula_iupac  '[Rh Cl2 (C10 H15) (C5 H5 N1)]'
_chemical_formula_weight  388.13
_symmetry_cell_setting  monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z'
  '-x, -y, -z'
  'x, -y-1/2, z'
_cell_length_a  7.1501(14)
_cell_length_b  13.185(3)
_cell_length_c  8.4979(17)
_cell_angle_alpha  90.00
_cell_angle_beta  106.45(3)
_cell_angle_gamma  90.00
_cell_volume  768.4(3)
_cell_formula_units_Z  2
_cell_measurement_temperature  150(2)
_exptl_crystal_density_diffrn  1.678
_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
  Rh  .36507(3)  .2500  .33206(2)  .01473(7) Uani d S 1 . . Rh
  Cl  .58488(6)  .11601(3)  .29894(5)  .02067(10) Uani d . 1 . . Cl
  N  .5066(3)  .2500  .5886(3)  .0185(4) Uani d S 1 . . N
  C1  .0818(3)  .2500  .3766(3)  .0184(5) Uani d S 1 . . C
  C11  .0405(4)  .2500  .5397(3)  .0258(6) Uani d S 1 . . C
  H11A  .0946  .1962  .6058  .039 Uiso d R 1 . . H
  H11B  -.0907  .2500  .5197  .039 Uiso d SR 1 . . H
  C2  .1040(2)  .16155(13)  .2853(2)  .0182(3) Uani d . 1 . . C
  C12  .0911(3)  .05380(14)  .3338(2)  .0250(4) Uani d . 1 . . C
  H12A  .1434  .0474  .4531  .037 Uiso calc R 1 . . H
  H12B  .1669  .0111  .2800  .037 Uiso calc R 1 . . H
  H12C  -.0456  .0320  .3002  .037 Uiso calc R 1 . . H
  C3  .1288(2)  .19607(14)  .1298(2)  .0181(3) Uani d . 1 . . C
  C13  .1457(3)  .12966(15)  -.0084(2)  .0250(4) Uani d . 1 . . C
  H13A  .0152  .1153  -.0810  .037 Uiso calc R 1 . . H
  H13B  .2095  .0659  .0359  .037 Uiso calc R 1 . . H
  H13C  .2232  .1643  -.0704  .037 Uiso calc R 1 . . H
  C6  .5352(3)  .16230(14)  .6737(2)  .0227(4) Uani d . 1 . . C
  H6  .5170  .1001  .6150  .034 Uiso calc R 1 . . H
  C7  .5903(3)  .15967(16)  .8440(2)  .0273(4) Uani d . 1 . . C
  H7  .6081  .0966  .9003  .041 Uiso calc R 1 . . H
  C8  .6191(4)  .2500  .9315(3)  .0290(6) Uani d S 1 . . C
  H8  .6574  .2500 1.0480  .044 Uiso calc SR 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
  Rh  .01310(11)  .01470(11)  .01581(11)  .000  .00315(7)  .000
  Cl  .0178(2)  .0200(2)  .0242(2)  .00495(16)  .00574(16)  -.00053(16)
  N  .0149(10)  .0210(11)  .0190(10)  .000  .0039(8)  .000
  C1  .0113(11)  .0235(13)  .0194(12)  .000  .0026(9)  .000
  C11  .0223(13)  .0358(16)  .0200(13)  .000  .0071(10)  .000
  C2  .0130(8)  .0206(9)  .0202(8)  -.0011(6)  .0036(6)  .0011(7)
  C12  .0232(9)  .0202(9)  .0315(10)  -.0031(7)  .0079(8)  .0022(8)
  C3  .0127(8)  .0215(9)  .0184(8)  -.0009(7)  .0019(6)  -.0015(7)
  C13  .0244(9)  .0259(10)  .0232(9)  -.0020(8)  .0044(7)  -.0075(7)
  C6  .0209(9)  .0221(9)  .0250(9)  .0040(7)  .0064(7)  .0019(7)
  C7  .0231(9)  .0329(11)  .0257(9)  .0071(8)  .0068(8)  .0086(8)
  C8  .0208(13)  .0464(18)  .0195(13)  .000  .0052(10)  .000
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
  Rh N . 2.127(2) ?
  Rh C2 . 2.1408(17) ?
  Rh C2 4_565 2.1408(17) ?
  Rh C3 . 2.1609(18) ?
  Rh C3 4_565 2.1609(18) ?
  Rh C1 . 2.163(2) ?
  Rh Cl 4_565 2.4333(5) ?
  Rh Cl . 2.4333(5) ?
  N C6 4_565 1.348(2) ?
  N C6 . 1.348(2) ?
  C1 C2 . 1.434(2) ?
  C1 C2 4_565 1.434(2) ?
  C1 C11 . 1.497(3) ?
  C2 C3 . 1.455(2) ?
  C2 C12 . 1.490(3) ?
  C3 C3 4_565 1.422(4) ?
  C3 C13 . 1.497(2) ?
  C6 C7 . 1.389(3) ?
  C7 C8 . 1.388(2) ?
  C8 C7 4_565 1.388(2) ?