data_2003609
_journal_name_full    'Acta Crystallographica'
_journal_year         1995
_journal_volume    	C51
_journal_page_first    	1065
_journal_page_last    	1067
_publ_section_title    	
;
Dichloro(\h^5^-cyclopentadienyl){[1-(4-methoxyphenyl)cyclohexyl]-\h^5^-
cyclopentadienyl}titanium(IV)
;
_chemical_formula_sum    	'C23 H26 Cl2 O Ti'
_chemical_formula_weight    	437.24
loop_
    _symmetry_equiv_pos_as_xyz
    'x,y,z'
    '1/2-x,-y,1/2+z'
    '-x,1/2+y,1/2-z'
    '1/2+x,1/2-y,-z'
_symmetry_space_group_name_H-M    	'P 21 21 21'
_cell_length_a    	9.680(5)
_cell_length_b    	12.846(5)
_cell_length_c    	16.944(6)
_cell_angle_alpha    	90
_cell_angle_beta    	90
_cell_angle_gamma    	90
_cell_volume    	2107(1)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.377
_exptl_crystal_density_meas    	?
_diffrn_radiation_type    	'MoK\a'
_diffrn_radiation_wavelength    	0.71069
_cell_measurement_reflns_used    	21
_cell_measurement_theta_min    	3.2
_cell_measurement_theta_max    	11.7
_exptl_absorpt_coefficient_mu    	0.68
_cell_measurement_temperature    	293
_exptl_crystal_description    	'flat slice'
_exptl_crystal_size_max    	0.46
_exptl_crystal_size_mid    	0.44
_exptl_crystal_size_min    	0.20
_exptl_crystal_size_rad    	?
_exptl_crystal_colour    	'dark red'
_chemical_compound_source    	'synthesized in our own laboratory'
_diffrn_measurement_device    	'Nicolet R3m/E'
_diffrn_measurement_method    	'\w'
_exptl_absorpt_correction_type    	'none'
_exptl_absorpt_correction_T_min    	?
_exptl_absorpt_correction_T_max    	?
_diffrn_reflns_number    	1927
_reflns_number_total    	1904
_reflns_number_observed    	1406
_reflns_observed_criterion    	F~o~>3\s(F~o~)
_diffrn_reflns_av_R_equivalents    	0.020
_diffrn_reflns_theta_max    	24
_diffrn_reflns_limit_h_min    	0
_diffrn_reflns_limit_h_max    	11
_diffrn_reflns_limit_k_min    	0
_diffrn_reflns_limit_k_max    	14
_diffrn_reflns_limit_l_min    	0
_diffrn_reflns_limit_l_max    	19
_diffrn_standards_number    	2
_diffrn_standards_interval_count    	98
_diffrn_standards_interval_time    	?
_diffrn_standards_decay_%    	<1.3
_refine_ls_structure_factor_coef    	F
_refine_ls_R_factor_obs    	0.066
_refine_ls_wR_factor_obs    	0.086
_refine_ls_goodness_of_fit_obs    	1.09
_refine_ls_number_reflns    	1406
_refine_ls_number_parameters    	244
_refine_ls_hydrogen_treatment    	'noref'
_refine_ls_weighting_scheme    	'1/[\s^2^(F~o~)+0.0036(F~o~)^2^]'
_refine_ls_shift/esd_max    	0.03
_refine_diff_density_max    	0.48
_refine_diff_density_min    	-0.32
_refine_ls_extinction_method    	'none'
_refine_ls_extinction_coef    	?
_atom_type_scat_source    	'IntTabIV'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    Ti .5550(2) -.0025(1) .2278(1) .051(1)
    Cl(1) .3512(3) .0984(2) .1966(2) .054(1)
    Cl(2) .7080(3) .1430(2) .2094(1) .048(1)
    C(1) .868(1) -.1178(7) .1421(5) .050(3)
    C(2) .944(1) -.0301(8) .0906(6) .062(4)
    C(3) 1.098(1) -.049(1) .0811(6) .073(5)
    C(4) 1.123(1) -.163(1) .0457(7) .094(6)
    C(5) 1.050(1) -.2477(9) .0886(7) .069(4)
    C(6) .898(1) -.2259(8) .0975(6) .065(4)
    C(11) .714(1) -.1029(7) .1419(5) .051(3)
    C(12) .632(1) -.0354(8) .0911(6) .061(4)
    C(13) .493(1) -.0608(8) .0983(7) .053(4)
    C(14) .481(1) -.1454(9) .1537(8) .068(4)
    C(15) .622(1) -.1700(7) .1797(7) .060(4)
    C(21) .925(1) -.1216(7) .2274(6) .047(3)
    C(22) .978(1) -.0351(8) .2636(6) .058(4)
    C(23) 1.026(1) -.0364(8) .3422(7) .065(4)
    C(24) 1.030(1) -.1303(9) .3831(6) .072(5)
    C(25) .982(1) -.2207(8) .3459(7) .063(4)
    C(26) .932(1) -.2129(7) .2700(6) .057(4)
    C(27) 1.095(3) -.223(1) .496(1) .16(1)
    O(1) 1.083(1) -.1257(6) .4565(4) .097(4)
    C(31) .638(1) -.0793(9) .3451(6) .073(4)
    C(32) .636(2) .0203(9) .3598(8) .097(6)
    C(33) .504(1) -.1146(9) .3379(8) .091(6)
    C(34) .422(1) -.026(1) .346(1) .095(6)
    C(35) .506(2) .0543(9) .3573(8) .107(8)
    H(2a) .8967 -.0284 .0401 .060
    H(2b) .9275 .0345 .1174 .060
    H(3a) 1.1335 .0010 .0449 .060
    H(3b) 1.1419 -.0459 .1302 .060
    H(4a) 1.2215 -.1738 .0454 .060
    H(4b) 1.0918 -.1613 -.0092 .060
    H(5a) 1.0658 -.3101 .0618 .060
    H(5b) 1.0914 -.2500 .1410 .060
    H(6a) .8571 -.2238 .0450 .060
    H(6b) .8565 -.2809 .1268 .060
    H(12) .5730 .0192 .0571 .060
    H(13) .4148 -.0296 .0715 .060
    H(14) .3958 -.1816 .1703 .060
    H(15) .6448 -.2225 .2191 .060
    H(22) .9786 .0302 .2355 .060
    H(23) 1.0696 .0252 .3660 .060
    H(25) .9776 -.2841 .3734 .060
    H(26) .8992 -.2756 .2448 .060
    H(27a) 1.1344 -.2165 .5482 .060
    H(27b) 1.1573 -.2699 .4660 .060
    H(27c) 1.0075 -.2579 .5000 .060
    H(31) .7198 -.1260 .3393 .060
    H(32) .7204 .0667 .3700 .060
    H(33) .4677 -.1868 .3243 .060
    H(34) .3188 -.0173 .3411 .060
    H(35) .4770 .1292 .3641 .060