##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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#                                                                            #
#            Copyright International Union of Crystallography                #
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##############################################################################
                                             
data_I
_audit_creation_method     SHELXL97
_chemical_name_systematic
;
(2,4,6,2'',4'',6''-hexamethyl-1,1':3';1''-terphenyl-2'-yl)\
bis(methylcyclopentadienyl)erbium(III)
;
_chemical_formula_moiety     'C36 H39 Er'
_chemical_formula_sum     'C36 H39 Er'
_chemical_formula_iupac     '[Er (C6 H7)2 (C24 H25)]'
_chemical_formula_weight     638.93
_chemical_melting_point     428
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
_symmetry_space_group_name_Hall     '-P 2ybc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     9.6758(9)
_cell_length_b     18.1260(10)
_cell_length_c     16.248(2)
_cell_angle_alpha     90.00
_cell_angle_beta     99.428(7)
_cell_angle_gamma     90.00
_cell_volume     2811.1(5)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     48
_cell_measurement_theta_min     6.0
_cell_measurement_theta_max     12.5
_cell_measurement_temperature     173(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     'pale pink'
_exptl_crystal_size_max     0.50
_exptl_crystal_size_mid     0.30
_exptl_crystal_size_min     0.25
_exptl_crystal_density_diffrn     1.510
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1292
_exptl_absorpt_coefficient_mu     3.01
_exptl_absorpt_correction_type     psi-scan
_exptl_absorpt_process_details     '(North et al.,  1968)'
_exptl_absorpt_correction_T_min     0.335
_exptl_absorpt_correction_T_max     0.504
_exptl_special_details
;
;
_diffrn_ambient_temperature     173(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Siemens P4'
_diffrn_measurement_method     ω
_diffrn_reflns_number     8124
_diffrn_reflns_av_R_equivalents     0.071
_diffrn_reflns_av_sigmaI/netI     0.065
_diffrn_reflns_theta_min     2.1
_diffrn_reflns_theta_max     29.0
_diffrn_reflns_theta_full     29.0
_diffrn_measured_fraction_theta_max     0.999
_diffrn_measured_fraction_theta_full     0.999
_diffrn_reflns_limit_h_min     -13
_diffrn_reflns_limit_h_max     13
_diffrn_reflns_limit_k_min     0
_diffrn_reflns_limit_k_max     24
_diffrn_reflns_limit_l_min     0
_diffrn_reflns_limit_l_max     22
_diffrn_standards_number     2
_diffrn_standards_interval_count     298
_diffrn_standards_decay_%     0
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     7465
_reflns_number_gt     5572
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.065
_refine_ls_R_factor_gt     0.040
_refine_ls_wR_factor_gt     0.086
_refine_ls_wR_factor_ref     0.095
_refine_ls_goodness_of_fit_ref     1.07
_refine_ls_restrained_S_all     1.07
_refine_ls_number_reflns     7465
_refine_ls_number_parameters     346
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     refU
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
               'calc w = 1/[σ²(Fo²)+(0.0351P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     1.05
_refine_diff_density_min     -1.52
_refine_ls_extinction_method     none
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    Er Er -0.2586 4.9576 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'XSCANS (Siemens, 1994)'
_computing_cell_refinement     XSCANS
_computing_data_reduction     XSCANS
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 2005) and SHELXTL (Sheldrick, 1998)'
;
_computing_publication_material     SHELXTL
loop_
    _atom_site_type_symbol
    _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
    Er Er 0.78480(2) 0.160221(10) 0.337742(12) 0.02371(6) Uani d . 1 . .
    C C11 0.5701(4) 0.0878(2) 0.3177(3) 0.0220(8) Uani d . 1 . .
    C C12 0.5970(4) 0.0191(2) 0.2803(2) 0.0203(7) Uani d . 1 . .
    C C13 0.5040(5) -0.0397(2) 0.2735(3) 0.0272(9) Uani d . 1 . .
    H H13A 0.5275 -0.0848 0.2494 0.034(5) Uiso calc R 1 . .
    C C14 0.3776(5) -0.0330(2) 0.3016(3) 0.0281(9) Uani d . 1 . .
    H H14A 0.3141 -0.0733 0.2975 0.034(5) Uiso calc R 1 . .
    C C15 0.3442(5) 0.0339(2) 0.3362(3) 0.0266(9) Uani d . 1 . .
    H H15A 0.2569 0.0393 0.3551 0.034(5) Uiso calc R 1 . .
    C C16 0.4383(4) 0.0931(2) 0.3432(2) 0.0207(8) Uani d . 1 . .
    C C21 0.7283(4) 0.0143(2) 0.2413(2) 0.0211(8) Uani d . 1 . .
    C C22 0.7303(5) 0.0528(2) 0.1659(3) 0.0260(9) Uani d . 1 . .
    C C23 0.8529(5) 0.0517(2) 0.1304(3) 0.0304(10) Uani d . 1 . .
    H H23A 0.8558 0.0793 0.0810 0.034(5) Uiso calc R 1 . .
    C C24 0.9699(5) 0.0117(2) 0.1648(3) 0.0277(9) Uani d . 1 . .
    C C25 0.9613(4) -0.0306(2) 0.2358(3) 0.0260(9) Uani d . 1 . .
    H H25A 1.0391 -0.0601 0.2589 0.034(5) Uiso calc R 1 . .
    C C26 0.8426(5) -0.0307(2) 0.2736(2) 0.0234(8) Uani d . 1 . .
    C C31 0.9460(5) 0.1945(3) 0.4850(3) 0.0296(9) Uani d . 1 . .
    C C32 1.0263(5) 0.1502(2) 0.4400(3) 0.0291(9) Uani d . 1 . .
    H H32A 1.1198 0.1637 0.4258 0.045(6) Uiso calc R 1 . .
    C C33 0.9663(5) 0.0792(3) 0.4322(3) 0.0307(10) Uani d . 1 . .
    H H33A 1.0121 0.0340 0.4140 0.045(6) Uiso calc R 1 . .
    C C34 0.8454(5) 0.0800(3) 0.4707(3) 0.0297(9) Uani d . 1 . .
    H H34A 0.7922 0.0354 0.4840 0.045(6) Uiso calc R 1 . .
    C C35 0.8312(5) 0.1508(3) 0.5022(3) 0.0302(9) Uani d . 1 . .
    H H35A 0.7636 0.1654 0.5397 0.045(6) Uiso calc R 1 . .
    C C41 0.7264(6) 0.3005(2) 0.3245(3) 0.0317(10) Uani d . 1 . .
    C C42 0.8693(5) 0.2952(2) 0.3166(3) 0.0316(10) Uani d . 1 . .
    H H42A 0.9480 0.3207 0.3533 0.045(6) Uiso calc R 1 . .
    C C43 0.8798(6) 0.2591(3) 0.2417(3) 0.0378(11) Uani d . 1 . .
    H H43A 0.9668 0.2544 0.2164 0.045(6) Uiso calc R 1 . .
    C C44 0.7445(6) 0.2425(3) 0.2023(3) 0.0397(12) Uani d . 1 . .
    H H44A 0.7193 0.2234 0.1440 0.045(6) Uiso calc R 1 . .
    C C45 0.6479(5) 0.2677(3) 0.2522(3) 0.0358(11) Uani d . 1 . .
    H H45A 0.5440 0.2708 0.2349 0.045(6) Uiso calc R 1 . .
    C C61 0.3927(4) 0.1652(2) 0.3759(2) 0.0220(7) Uani d . 1 . .
    C C62 0.3219(5) 0.2171(2) 0.3206(3) 0.0257(9) Uani d . 1 . .
    C C63 0.2844(5) 0.2850(2) 0.3510(3) 0.0280(9) Uani d . 1 . .
    H H63A 0.2375 0.3202 0.3130 0.034(5) Uiso calc R 1 . .
    C C64 0.3137(5) 0.3025(3) 0.4350(3) 0.0301(9) Uani d . 1 . .
    C C65 0.3779(5) 0.2494(3) 0.4898(3) 0.0291(9) Uani d . 1 . .
    H H65A 0.3959 0.2603 0.5478 0.034(5) Uiso calc R 1 . .
    C C66 0.4170(4) 0.1805(2) 0.4627(3) 0.0251(9) Uani d . 1 . .
    C C221 0.5983(5) 0.0849(3) 0.1176(3) 0.0344(10) Uani d . 1 . .
    H H22A 0.6203 0.1111 0.0685 0.064(5) Uiso calc R 1 . .
    H H22B 0.5571 0.1195 0.1531 0.064(5) Uiso calc R 1 . .
    H H22C 0.5315 0.0452 0.0996 0.064(5) Uiso calc R 1 . .
    C C241 1.0993(5) 0.0103(3) 0.1238(3) 0.0390(11) Uani d . 1 . .
    H H24A 1.1133 0.0590 0.1004 0.064(5) Uiso calc R 1 . .
    H H24B 1.0874 -0.0266 0.0791 0.064(5) Uiso calc R 1 . .
    H H24C 1.1811 -0.0025 0.1654 0.064(5) Uiso calc R 1 . .
    C C261 0.8379(5) -0.0808(2) 0.3474(3) 0.0291(9) Uani d . 1 . .
    H H26A 0.9334 -0.0953 0.3718 0.064(5) Uiso calc R 1 . .
    H H26B 0.7829 -0.1249 0.3289 0.064(5) Uiso calc R 1 . .
    H H26C 0.7942 -0.0546 0.3893 0.064(5) Uiso calc R 1 . .
    C C311 0.9865(7) 0.2687(3) 0.5224(4) 0.0454(13) Uani d . 1 . .
    H H31A 1.0307 0.2625 0.5807 0.144(17) Uiso calc R 1 . .
    H H31B 0.9026 0.2995 0.5198 0.144(17) Uiso calc R 1 . .
    H H31C 1.0526 0.2925 0.4911 0.144(17) Uiso calc R 1 . .
    C C411 0.6647(6) 0.3360(3) 0.3947(4) 0.0454(12) Uani d . 1 . .
    H H41A 0.6583 0.3894 0.3860 0.144(17) Uiso calc R 1 . .
    H H41B 0.7249 0.3256 0.4481 0.144(17) Uiso calc R 1 . .
    H H41C 0.5709 0.3159 0.3956 0.144(17) Uiso calc R 1 . .
    C C621 0.2827(6) 0.1990(3) 0.2291(3) 0.0356(11) Uani d . 1 . .
    H H62A 0.2570 0.2445 0.1976 0.064(5) Uiso calc R 1 . .
    H H62B 0.2030 0.1649 0.2210 0.064(5) Uiso calc R 1 . .
    H H62C 0.3627 0.1760 0.2091 0.064(5) Uiso calc R 1 . .
    C C641 0.2815(6) 0.3791(3) 0.4654(3) 0.0434(13) Uani d . 1 . .
    H H64A 0.1865 0.3935 0.4398 0.064(5) Uiso calc R 1 . .
    H H64B 0.3490 0.4146 0.4498 0.064(5) Uiso calc R 1 . .
    H H64C 0.2881 0.3784 0.5263 0.064(5) Uiso calc R 1 . .
    C C661 0.4763(5) 0.1222(3) 0.5246(3) 0.0349(10) Uani d . 1 . .
    H H66A 0.5096 0.1453 0.5788 0.064(5) Uiso calc R 1 . .
    H H66B 0.5545 0.0973 0.5048 0.064(5) Uiso calc R 1 . .
    H H66C 0.4032 0.0861 0.5306 0.064(5) Uiso calc R 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
    Er C11 . 2.434(4) y
    Er C31 . 2.706(5) y
    Er C32 . 2.642(4) y
    Er C33 . 2.591(4) y
    Er C34 . 2.591(4) y
    Er C35 . 2.641(4) y
    Er C41 . 2.606(4) y
    Er C42 . 2.620(4) y
    Er C43 . 2.639(5) y
    Er C44 . 2.635(5) y
    Er C45 . 2.623(4) y
    C11 C16 . 1.407(6) ?
    C11 C12 . 1.427(5) ?
    C12 C13 . 1.388(6) ?
    C12 C21 . 1.512(5) ?
    C13 C14 . 1.379(6) ?
    C13 H13A . 0.9500 ?
    C14 C15 . 1.396(6) ?
    C14 H14A . 0.9500 ?
    C15 C16 . 1.399(6) ?
    C15 H15A . 0.9500 ?
    C16 C61 . 1.505(6) ?
    C21 C26 . 1.406(6) ?
    C21 C22 . 1.413(6) ?
    C22 C23 . 1.402(6) ?
    C22 C221 . 1.502(6) ?
    C23 C24 . 1.383(6) ?
    C23 H23A . 0.9500 ?
    C24 C25 . 1.398(6) ?
    C24 C241 . 1.512(6) ?
    C25 C26 . 1.388(6) ?
    C25 H25A . 0.9500 ?
    C26 C261 . 1.509(6) ?
    C31 C32 . 1.403(6) ?
    C31 C35 . 1.429(6) ?
    C31 C311 . 1.501(7) ?
    C32 C33 . 1.409(6) ?
    C32 H32A . 1.0000 ?
    C33 C34 . 1.414(7) ?
    C33 H33A . 1.0000 ?
    C34 C35 . 1.396(6) ?
    C34 H34A . 1.0000 ?
    C35 H35A . 1.0000 ?
    C41 C42 . 1.412(7) ?
    C41 C45 . 1.420(7) ?
    C41 C411 . 1.516(7) ?
    C42 C43 . 1.400(7) ?
    C42 H42A . 1.0000 ?
    C43 C44 . 1.393(8) ?
    C43 H43A . 1.0000 ?
    C44 C45 . 1.410(7) ?
    C44 H44A . 1.0000 ?
    C45 H45A . 1.0000 ?
    C61 C62 . 1.400(6) ?
    C61 C66 . 1.419(6) ?
    C62 C63 . 1.398(6) ?
    C62 C621 . 1.509(6) ?
    C63 C64 . 1.384(6) ?
    C63 H63A . 0.9500 ?
    C64 C65 . 1.387(7) ?
    C64 C641 . 1.523(7) ?
    C65 C66 . 1.397(6) ?
    C65 H65A . 0.9500 ?
    C66 C661 . 1.506(6) ?
    C221 H22A . 0.9800 ?
    C221 H22B . 0.9800 ?
    C221 H22C . 0.9800 ?
    C241 H24A . 0.9800 ?
    C241 H24B . 0.9800 ?
    C241 H24C . 0.9800 ?
    C261 H26A . 0.9800 ?
    C261 H26B . 0.9800 ?
    C261 H26C . 0.9800 ?
    C311 H31A . 0.9800 ?
    C311 H31B . 0.9800 ?
    C311 H31C . 0.9800 ?
    C411 H41A . 0.9800 ?
    C411 H41B . 0.9800 ?
    C411 H41C . 0.9800 ?
    C621 H62A . 0.9800 ?
    C621 H62B . 0.9800 ?
    C621 H62C . 0.9800 ?
    C641 H64A . 0.9800 ?
    C641 H64B . 0.9800 ?
    C641 H64C . 0.9800 ?
    C661 H66A . 0.9800 ?
    C661 H66B . 0.9800 ?
    C661 H66C . 0.9800 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C11 Er C34 . . 83.11(14) ?
    C11 Er C33 . . 104.71(14) ?
    C34 Er C33 . . 31.67(15) ?
    C11 Er C41 . . 110.29(15) ?
    C34 Er C41 . . 129.28(15) ?
    C33 Er C41 . . 135.95(16) ?
    C11 Er C42 . . 139.83(14) ?
    C34 Er C42 . . 126.92(15) ?
    C33 Er C42 . . 114.29(15) ?
    C41 Er C42 . . 31.35(15) ?
    C11 Er C45 . . 89.10(15) ?
    C34 Er C45 . . 152.19(16) ?
    C33 Er C45 . . 165.78(16) ?
    C41 Er C45 . . 31.51(15) ?
    C42 Er C45 . . 51.54(16) ?
    C11 Er C44 . . 100.81(15) ?
    C34 Er C44 . . 175.50(16) ?
    C33 Er C44 . . 144.02(16) ?
    C41 Er C44 . . 51.54(16) ?
    C42 Er C44 . . 50.84(16) ?
    C45 Er C44 . . 31.11(16) ?
    C11 Er C43 . . 131.29(16) ?
    C34 Er C43 . . 145.23(16) ?
    C33 Er C43 . . 117.89(17) ?
    C41 Er C43 . . 51.68(15) ?
    C42 Er C43 . . 30.87(15) ?
    C45 Er C43 . . 51.42(16) ?
    C44 Er C43 . . 30.63(17) ?
    C11 Er C35 . . 95.75(14) ?
    C34 Er C35 . . 30.93(14) ?
    C33 Er C35 . . 51.49(15) ?
    C41 Er C35 . . 98.37(15) ?
    C42 Er C35 . . 100.84(15) ?
    C45 Er C35 . . 124.86(16) ?
    C44 Er C35 . . 149.23(16) ?
    C43 Er C35 . . 128.62(16) ?
    C11 Er C32 . . 133.97(14) ?
    C34 Er C32 . . 51.76(14) ?
    C33 Er C32 . . 31.22(14) ?
    C41 Er C32 . . 106.06(15) ?
    C42 Er C32 . . 83.34(15) ?
    C45 Er C32 . . 134.59(15) ?
    C44 Er C32 . . 123.99(16) ?
    C43 Er C32 . . 93.49(16) ?
    C35 Er C32 . . 51.18(14) ?
    C11 Er C31 . . 126.72(14) ?
    C34 Er C31 . . 51.14(14) ?
    C33 Er C31 . . 50.93(14) ?
    C41 Er C31 . . 86.26(15) ?
    C42 Er C31 . . 75.78(15) ?
    C45 Er C31 . . 117.76(15) ?
    C44 Er C31 . . 126.43(16) ?
    C43 Er C31 . . 99.25(16) ?
    C35 Er C31 . . 30.97(14) ?
    C32 Er C31 . . 30.40(14) ?
    C16 C11 C12 . . 114.9(4) ?
    C12 C11 Er . . 108.4(3) y
    C16 C11 Er . . 136.0(3) y
    C13 C12 C11 . . 122.9(4) ?
    C13 C12 C21 . . 120.0(4) ?
    C11 C12 C21 . . 116.9(4) ?
    C14 C13 C12 . . 120.2(4) ?
    C14 C13 H13A . . 119.9 ?
    C12 C13 H13A . . 119.9 ?
    C13 C14 C15 . . 119.1(4) ?
    C13 C14 H14A . . 120.4 ?
    C15 C14 H14A . . 120.4 ?
    C14 C15 C16 . . 120.5(4) ?
    C14 C15 H15A . . 119.8 ?
    C16 C15 H15A . . 119.8 ?
    C15 C16 C11 . . 122.2(4) ?
    C15 C16 C61 . . 118.0(4) ?
    C11 C16 C61 . . 119.7(4) ?
    C26 C21 C22 . . 119.3(4) ?
    C26 C21 C12 . . 122.7(3) ?
    C22 C21 C12 . . 117.8(4) ?
    C23 C22 C21 . . 118.8(4) ?
    C23 C22 C221 . . 119.7(4) ?
    C21 C22 C221 . . 120.9(4) ?
    C24 C23 C22 . . 122.2(4) ?
    C24 C23 H23A . . 118.9 ?
    C22 C23 H23A . . 118.9 ?
    C23 C24 C25 . . 117.8(4) ?
    C23 C24 C241 . . 120.8(4) ?
    C25 C24 C241 . . 121.3(4) ?
    C26 C25 C24 . . 122.1(4) ?
    C26 C25 H25A . . 118.9 ?
    C24 C25 H25A . . 118.9 ?
    C25 C26 C21 . . 119.4(4) ?
    C25 C26 C261 . . 119.2(4) ?
    C21 C26 C261 . . 121.4(4) ?
    C32 C31 C35 . . 107.4(4) ?
    C32 C31 C311 . . 126.4(5) ?
    C35 C31 C311 . . 125.3(4) ?
    C32 C31 Er . . 72.3(3) ?
    C35 C31 Er . . 72.0(3) ?
    C311 C31 Er . . 129.7(3) ?
    C31 C32 C33 . . 108.3(4) ?
    C31 C32 Er . . 77.3(3) ?
    C33 C32 Er . . 72.4(3) ?
    C31 C32 H32A . . 125.3 ?
    C33 C32 H32A . . 125.3 ?
    Er C32 H32A . . 125.3 ?
    C32 C33 C34 . . 108.1(4) ?
    C32 C33 Er . . 76.4(3) ?
    C34 C33 Er . . 74.2(3) ?
    C32 C33 H33A . . 125.4 ?
    C34 C33 H33A . . 125.4 ?
    Er C33 H33A . . 125.4 ?
    C35 C34 C33 . . 108.0(4) ?
    C35 C34 Er . . 76.5(3) ?
    C33 C34 Er . . 74.2(2) ?
    C35 C34 H34A . . 125.4 ?
    C33 C34 H34A . . 125.4 ?
    Er C34 H34A . . 125.4 ?
    C34 C35 C31 . . 108.2(4) ?
    C34 C35 Er . . 72.5(3) ?
    C31 C35 Er . . 77.0(3) ?
    C34 C35 H35A . . 125.4 ?
    C31 C35 H35A . . 125.4 ?
    Er C35 H35A . . 125.4 ?
    C42 C41 C45 . . 107.2(4) ?
    C42 C41 C411 . . 127.5(5) ?
    C45 C41 C411 . . 125.2(5) ?
    C42 C41 Er . . 74.9(3) ?
    C45 C41 Er . . 74.9(3) ?
    C411 C41 Er . . 117.3(3) ?
    C43 C42 C41 . . 108.8(5) ?
    C43 C42 Er . . 75.3(3) ?
    C41 C42 Er . . 73.8(3) ?
    C43 C42 H42A . . 125.2 ?
    C41 C42 H42A . . 125.2 ?
    Er C42 H42A . . 125.2 ?
    C44 C43 C42 . . 107.7(5) ?
    C44 C43 Er . . 74.5(3) ?
    C42 C43 Er . . 73.8(3) ?
    C44 C43 H43A . . 125.7 ?
    C42 C43 H43A . . 125.7 ?
    Er C43 H43A . . 125.7 ?
    C43 C44 C45 . . 109.1(5) ?
    C43 C44 Er . . 74.9(3) ?
    C45 C44 Er . . 74.0(3) ?
    C43 C44 H44A . . 125.1 ?
    C45 C44 H44A . . 125.1 ?
    Er C44 H44A . . 125.1 ?
    C44 C45 C41 . . 107.2(5) ?
    C44 C45 Er . . 74.9(3) ?
    C41 C45 Er . . 73.6(3) ?
    C44 C45 H45A . . 125.9 ?
    C41 C45 H45A . . 125.9 ?
    Er C45 H45A . . 125.9 ?
    C62 C61 C66 . . 119.4(4) ?
    C62 C61 C16 . . 119.8(4) ?
    C66 C61 C16 . . 120.7(4) ?
    C63 C62 C61 . . 119.5(4) ?
    C63 C62 C621 . . 120.1(4) ?
    C61 C62 C621 . . 120.4(4) ?
    C64 C63 C62 . . 121.8(4) ?
    C64 C63 H63A . . 119.1 ?
    C62 C63 H63A . . 119.1 ?
    C63 C64 C65 . . 118.2(4) ?
    C63 C64 C641 . . 120.5(4) ?
    C65 C64 C641 . . 121.2(4) ?
    C64 C65 C66 . . 122.2(4) ?
    C64 C65 H65A . . 118.9 ?
    C66 C65 H65A . . 118.9 ?
    C65 C66 C61 . . 118.6(4) ?
    C65 C66 C661 . . 120.6(4) ?
    C61 C66 C661 . . 120.7(4) ?
    C22 C221 H22A . . 109.5 ?
    C22 C221 H22B . . 109.5 ?
    H22A C221 H22B . . 109.5 ?
    C22 C221 H22C . . 109.5 ?
    H22A C221 H22C . . 109.5 ?
    H22B C221 H22C . . 109.5 ?
    C24 C241 H24A . . 109.5 ?
    C24 C241 H24B . . 109.5 ?
    H24A C241 H24B . . 109.5 ?
    C24 C241 H24C . . 109.5 ?
    H24A C241 H24C . . 109.5 ?
    H24B C241 H24C . . 109.5 ?
    C26 C261 H26A . . 109.5 ?
    C26 C261 H26B . . 109.5 ?
    H26A C261 H26B . . 109.5 ?
    C26 C261 H26C . . 109.5 ?
    H26A C261 H26C . . 109.5 ?
    H26B C261 H26C . . 109.5 ?
    C31 C311 H31A . . 109.5 ?
    C31 C311 H31B . . 109.5 ?
    H31A C311 H31B . . 109.5 ?
    C31 C311 H31C . . 109.5 ?
    H31A C311 H31C . . 109.5 ?
    H31B C311 H31C . . 109.5 ?
    C41 C411 H41A . . 109.5 ?
    C41 C411 H41B . . 109.5 ?
    H41A C411 H41B . . 109.5 ?
    C41 C411 H41C . . 109.5 ?
    H41A C411 H41C . . 109.5 ?
    H41B C411 H41C . . 109.5 ?
    C62 C621 H62A . . 109.5 ?
    C62 C621 H62B . . 109.5 ?
    H62A C621 H62B . . 109.5 ?
    C62 C621 H62C . . 109.5 ?
    H62A C621 H62C . . 109.5 ?
    H62B C621 H62C . . 109.5 ?
    C64 C641 H64A . . 109.5 ?
    C64 C641 H64B . . 109.5 ?
    H64A C641 H64B . . 109.5 ?
    C64 C641 H64C . . 109.5 ?
    H64A C641 H64C . . 109.5 ?
    H64B C641 H64C . . 109.5 ?
    C66 C661 H66A . . 109.5 ?
    C66 C661 H66B . . 109.5 ?
    H66A C661 H66B . . 109.5 ?
    C66 C661 H66C . . 109.5 ?
    H66A C661 H66C . . 109.5 ?
    H66B C661 H66C . . 109.5 ?
data_global
_journal_date_recd_electronic     2007-05-31
_journal_date_accepted     2007-07-16
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2007
_journal_volume     63
_journal_issue      8
_journal_page_first     m2188
_journal_page_last     m2188
_journal_paper_category     QM
_journal_coeditor_code     YA2055
_publ_contact_author_name     'Mark Niemeyer'
_publ_contact_author_address
;
Institut fur Anorganische und Analytische Chemie
Johannes Gutenberg-Universitat Mainz
Duesbergweg 10--14
D-55099 Mainz
Germany
;
_publ_contact_author_email     mn@lanth.de
_publ_contact_author_fax     '+49 6131-39-25419'
_publ_contact_author_phone     '+49 6131-39-26020'
_publ_section_title
;\
An unsolvated erbium organyl:
(2,4,6,2'',4'',6''-hexamethyl-1,1':3';1''-terphenyl-2'-yl)\
bis(methylcyclopentadienyl)erbium(III)
;
loop_
    _publ_author_name
    _publ_author_address
    'Niemeyer, Mark'
;
Institut für Anorganische und Analytische Chemie
Johannes Gutenberg-Universität Mainz
Duesbergweg 10-14
D-55099 Mainz
Germany
;
