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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/09/2000945.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000945
loop_
_publ_author_name
'Schumann, H.'
'Ghodsi, T.'
'Esser, L.'
_publ_section_title
;
 A monomeric cyclopentadienyl indium complex. Structure of
 [η⁵-(diphenylphosphino)tetramethylcyclopentadienyl]indium(I)
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              618
_journal_page_last               620
_journal_paper_doi               10.1107/S0108270191010442
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C21 H22 In P'
_chemical_formula_weight         420.20
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.754(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.6680(8)
_cell_length_b                   10.5890(10)
_cell_length_c                   15.097(3)
_cell_volume                     1838.3(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.35
_exptl_crystal_density_diffrn    1.52
_exptl_crystal_F_000             848
_cod_data_source_file            ab0237.cif
_cod_data_source_block           ab0237a
_cod_original_formula_sum        'C21 H22 In1 P1'
_cod_database_code               2000945
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
In(1) .11018(2) -.08225(2) -.153470(10)
P(1) .16260(10) -.40420(10) -.27360(10)
C(1) .1860(2) -.2361(3) -.2732(2)
C(2) .2860(3) -.1601(3) -.2423(2)
C(3) .2582(3) -.0352(3) -.2698(2)
C(4) .1432(3) -.0322(3) -.3201(2)
C(5) .0977(3) -.1560(3) -.3223(2)
C(6) .4037(3) -.2053(3) -.1961(2)
C(7) .3394(3) .0774(3) -.2578(2)
C(8) .0858(3) .0812(3) -.3682(2)
C(9) -.0187(3) -.1986(3) -.3730(2)
C(10) .2583(3) -.4663(3) -.1739(2)
C(11) .2417(3) -.4257(3) -.0888(2)
C(12) .3026(3) -.4789(3) -.0112(2)
C(13) .3812(3) -.5765(3) -.0171(2)
C(14) .3986(3) -.6176(3) -.1004(2)
C(15) .3376(3) -.5636(3) -.1785(2)
C(16) .2348(3) -.4590(3) -.3653(2)
C(17) .2126(3) -.5815(3) -.3973(2)
C(18) .2643(3) -.6290(4) -.4661(2)
C(19) .3387(3) -.5540(4) -.5055(2)
C(20) .3598(3) -.4303(4) -.4759(2)
C(21) .3084(3) -.3821(3) -.4066(2)
H61 .4003 -.2932 -.1845
H62 .4251 -.1612 -.1409
H63 .4597 -.1898 -.2337
H71 .4112 .0538 -.2220
H72 .3051 .1438 -.2290
H73 .3529 .1054 -.3150
H81 .0094 .0595 -.3967
H82 .1297 .1087 -.4121
H83 .0819 .1472 -.3262
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
In(1) C(1) 2.692(3)
In(1) C(4) 2.661(3)
In(1) C(5) 2.646(3)
P(1) C(1) 1.801(3)
P(1) C(10) 1.837(3)
P(1) C(16) 1.834(3)
C(1) C(2) 1.429(4)
C(1) C(5) 1.439(4)
C(2) C(3) 1.407(4)
C(2) C(6) 1.509(4)
C(3) C(4) 1.426(4)
C(3) C(7) 1.515(4)
C(4) C(5) 1.412(4)
C(4) C(8) 1.501(4)
C(5) C(9) 1.510(4)
C(10) C(11) 1.390(4)
C(10) C(15) 1.394(4)
C(11) C(12) 1.385(5)
C(12) C(13) 1.394(5)
C(13) C(14) 1.378(5)
C(14) C(15) 1.393(5)
C(16) C(17) 1.393(4)
C(16) C(21) 1.404(4)
C(17) C(18) 1.381(5)
C(18) C(19) 1.383(6)
C(19) C(20) 1.393(5)
C(20) C(21) 1.388(5)
