##############################################################################
###                                                                        ###
###        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/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
#                                                                            #
##############################################################################
                                             
data_I
_audit_creation_method     SHELXL97
_chemical_name_systematic
;
{1,3-Bis(3,4,5-trimethoxybenzyl)-3,4,5,6-tetrahydropyrimidin-2-
ylidene}chloro(η⁴-cycloocta-1,5-diene)rhodium(I)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C32 H44 Cl1 N2 O6 Rh1'
_chemical_formula_sum     'C32 H44 Cl1 N2 O6 Rh1'
_chemical_formula_iupac     '[Rh Cl (C8 H12) (C24 H32 N2 O6)]'
_chemical_formula_weight     691.053
_chemical_melting_point     ?
_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     10.175(2)
_cell_length_b     22.289(4)
_cell_length_c     13.947(3)
_cell_angle_alpha     90
_cell_angle_beta     97.57(3)
_cell_angle_gamma     90
_cell_volume     3135.5(11)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     10832
_cell_measurement_theta_min     2.22
_cell_measurement_theta_max     26.0
_cell_measurement_temperature     188(2)
_exptl_crystal_description     rod
_exptl_crystal_colour     yellow
_exptl_crystal_size_max     0.24
_exptl_crystal_size_mid     0.08
_exptl_crystal_size_min     0.05
_exptl_crystal_density_diffrn     1.464
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1440
_exptl_absorpt_coefficient_mu     0.676
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(REQAB; Rigaku/MSC, 1999)'
_exptl_absorpt_correction_T_min     0.855
_exptl_absorpt_correction_T_max     0.967
_exptl_special_details
;
Spectroscopic analysis: ν(CN) = 1592
cm⁻¹; ¹H NMR (399.9 MHz, CDCl₃, δ, p.p.m.): 6.91 [s, 4H,
CH₂C₆H₂(OCH₃)₃-3,4,5], 6.83 (d, J = 14.0 Hz, 2H,
CHCOD), 4.89 [m, 2H, CH₂C₆H₂(OCH₃)₃-3,4,5], 4.83 (d,
J = 14.0 Hz, 2H, CHCOD], 3.88 [s, 12H,
CH₂C₆H₂(OCH₃)₃-3,5], 3.83 [s, 6H,
CH₂C₆H₂(OCH₃)₃-4], 3.36 [m, 2H,
CH₂C₆H₂(OCH₃)₃-3,4,5],2.89 (t, J = 5.6 Hz, 4H,
NCH₂CH₂CH₂N), 2.33 (m, 4H, CH2COD), 1.87 (m, 4H,
CH2COD), 1.74 (quint., J = 5.6 Hz, 2H, NCH₂CH₂CH₂N);
¹³C NMR (100.5 MHz, CDCl₃, δ, p.p.m.): 206.9 (d, J = 45.7
Hz, Ccarbene), 153.6, 137.7, 132.6 and 106.2
[CH₂C₆H₂(OCH₃)₃-3,4,5], 97.1 and 69.6 (d, J = 6.9 Hz
and 15.3 Hz, CHCOD), 62.8 [CH₂C₆H₂(OCH₃)₃-3,4,5], 61.0
[CH₂C₆H₂(OCH₃)₃-4], 56.7 [CH₂C₆H₂(OCH₃)₃-3,5], 43.3
(NCH₂CH₂CH₂N), 32.8 and 29.0 (CH2COD), 21.3 (NCH₂CH₂CH₂N).
;
_diffrn_ambient_temperature     188(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'Sealed Tube'
_diffrn_radiation_monochromator     'Graphite Monochromator'
_diffrn_measurement_device     'Rigaku Mercury CCD (2x2 bin mode)'
_diffrn_measurement_method     'dtprofit.ref'
_diffrn_detector_area_resol_mean     14.6199
_diffrn_reflns_number     25658
_diffrn_reflns_av_R_equivalents     0.152
_diffrn_reflns_av_sigmaI/netI     0.104
_diffrn_reflns_theta_min     2.2
_diffrn_reflns_theta_max     25.0
_diffrn_reflns_theta_full     25.0
_diffrn_measured_fraction_theta_max     0.999
_diffrn_measured_fraction_theta_full     0.999
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -25
_diffrn_reflns_limit_k_max     26
_diffrn_reflns_limit_l_min     -16
_diffrn_reflns_limit_l_max     16
_diffrn_reflns_reduction_process     'Lp corrections applied'
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_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     5513
_reflns_number_gt     3705
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.127
_refine_ls_R_factor_gt     0.075
_refine_ls_wR_factor_gt     0.161
_refine_ls_wR_factor_ref     0.182
_refine_ls_goodness_of_fit_ref     1.10
_refine_ls_restrained_S_all     1.10
_refine_ls_number_reflns     5513
_refine_ls_number_parameters     385
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
       'calc w = 1/[σ²(Fo²)+(0.0758P)²+5.4242P] 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     0.83
_refine_diff_density_min     -0.55
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
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'
    'Cl' 'Cl' 0.1484 0.1585
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Rh' 'Rh' -1.1178 0.9187
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'CrystalClear (Rigaku/MSC, 2001)'
_computing_cell_refinement     'CrystalClear'
_computing_data_reduction     'CrystalClear'
_computing_structure_solution     'SHELXTL (Bruker, 2000)'
_computing_structure_refinement     'SHELXTL'
_computing_molecular_graphics     'SHELXTL'
_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
    Rh Rh1 0.65894(6) 0.63252(3) 0.31700(4) 0.02232(19) Uani d . 1 . .
    Cl Cl1 0.52468(19) 0.64006(9) 0.16255(13) 0.0284(4) Uani d . 1 . .
    O O1 0.2879(6) 0.9377(2) 0.3307(5) 0.0388(15) Uani d . 1 . .
    O O2 0.1273(6) 0.8915(2) 0.1812(4) 0.0316(13) Uani d . 1 . .
    O O3 0.1373(6) 0.7754(2) 0.1341(4) 0.0338(14) Uani d . 1 . .
    O O4 0.1492(6) 0.4985(2) 0.0618(4) 0.0366(15) Uani d . 1 . .
    O O5 0.1511(6) 0.3800(2) 0.0840(4) 0.0312(13) Uani d . 1 . .
    O O6 0.3050(6) 0.3275(2) 0.2308(4) 0.0332(14) Uani d . 1 . .
    N N1 0.4252(6) 0.5781(3) 0.3872(5) 0.0252(15) Uani d . 1 . .
    N N2 0.4381(6) 0.6781(3) 0.4202(5) 0.0253(15) Uani d . 1 . .
    C C1 0.2996(9) 0.5716(4) 0.4278(6) 0.0308(19) Uani d . 1 . .
    H H1A 0.2264 0.5777 0.3778 0.037 Uiso calc R 1 . .
    H H1B 0.2931 0.5317 0.4527 0.037 Uiso calc R 1 . .
    C C2 0.2932(9) 0.6153(4) 0.5054(6) 0.033(2) Uani d . 1 . .
    H H2A 0.3573 0.6050 0.5597 0.040 Uiso calc R 1 . .
    H H2B 0.2069 0.6140 0.5261 0.040 Uiso calc R 1 . .
    C C3 0.3203(9) 0.6781(4) 0.4721(6) 0.0311(19) Uani d . 1 . .
    H H3A 0.2448 0.6926 0.4300 0.037 Uiso calc R 1 . .
    H H3B 0.3353 0.7044 0.5269 0.037 Uiso calc R 1 . .
    C C4 0.4899(7) 0.6303(4) 0.3810(5) 0.0203(15) Uani d . 1 . .
    C C5 0.7769(8) 0.6564(4) 0.4470(6) 0.0290(19) Uani d . 1 . .
    H H5 0.7007 0.6772 0.4640 0.035 Uiso calc R 1 . .
    C C6 0.8960(10) 0.6946(5) 0.4299(7) 0.052(3) Uani d . 1 . .
    H H6A 0.8783 0.7354 0.4463 0.063 Uiso calc R 1 . .
    H H6B 0.9713 0.6814 0.4736 0.063 Uiso calc R 1 . .
    C C7 0.9311(14) 0.6937(8) 0.3330(8) 0.092(6) Uani d . 1 . .
    H H7A 1.0174 0.6759 0.3354 0.110 Uiso calc R 1 . .
    H H7B 0.9382 0.7345 0.3120 0.110 Uiso calc R 1 . .
    C C8 0.8390(9) 0.6612(5) 0.2582(7) 0.042(2) Uani d . 1 . .
    H H8 0.7825 0.6845 0.2117 0.050 Uiso calc R 1 . .
    C C9 0.8313(9) 0.6002(4) 0.2527(7) 0.039(2) Uani d . 1 . .
    H H9 0.7704 0.5838 0.2009 0.047 Uiso calc R 1 . .
    C C10 0.9071(14) 0.5567(7) 0.3185(10) 0.084(5) Uani d . 1 . .
    H H10A 0.8944 0.5175 0.2903 0.100 Uiso calc R 1 . .
    H H10B 0.9996 0.5663 0.3214 0.100 Uiso calc R 1 . .
    C C11 0.8760(12) 0.5538(5) 0.4146(8) 0.056(3) Uani d . 1 . .
    H H11A 0.9553 0.5622 0.4577 0.067 Uiso calc R 1 . .
    H H11B 0.8506 0.5133 0.4267 0.067 Uiso calc R 1 . .
    C C12 0.7683(9) 0.5949(4) 0.4403(6) 0.035(2) Uani d . 1 . .
    H H12 0.6869 0.5766 0.4531 0.042 Uiso calc R 1 . .
    C C13 0.4914(8) 0.7384(4) 0.4060(7) 0.0313(19) Uani d . 1 . .
    H H13A 0.5685 0.7349 0.3733 0.038 Uiso calc R 1 . .
    H H13B 0.5183 0.7565 0.4679 0.038 Uiso calc R 1 . .
    C C14 0.3906(9) 0.7788(4) 0.3472(6) 0.0310(19) Uani d . 1 . .
    C C15 0.3855(8) 0.8390(3) 0.3716(6) 0.0243(17) Uani d . 1 . .
    H H15 0.4416 0.8540 0.4271 0.029 Uiso calc R 1 . .
    C C16 0.2992(9) 0.8779(3) 0.3156(6) 0.0321(19) Uani d . 1 . .
    C C17 0.2139(8) 0.8544(3) 0.2368(6) 0.0278(18) Uani d . 1 . .
    C C18 0.2212(8) 0.7932(3) 0.2136(5) 0.0232(17) Uani d . 1 . .
    C C19 0.3099(8) 0.7560(3) 0.2682(6) 0.0268(18) Uani d . 1 . .
    H H19 0.3157 0.7145 0.2513 0.032 Uiso calc R 1 . .
    C C20 0.3878(10) 0.9637(4) 0.4003(8) 0.046(2) Uani d . 1 . .
    H H20A 0.3831 0.9461 0.4626 0.069 Uiso calc R 1 . .
    H H20B 0.3735 1.0062 0.4036 0.069 Uiso calc R 1 . .
    H H20C 0.4736 0.9562 0.3813 0.069 Uiso calc R 1 . .
    C C21 0.0001(9) 0.8934(5) 0.2118(8) 0.048(3) Uani d . 1 . .
    H H21A -0.0350 0.8535 0.2127 0.072 Uiso calc R 1 . .
    H H21B -0.0578 0.9177 0.1678 0.072 Uiso calc R 1 . .
    H H21C 0.0069 0.9104 0.2755 0.072 Uiso calc R 1 . .
    C C22 0.1435(11) 0.7132(4) 0.1049(7) 0.044(2) Uani d . 1 . .
    H H22A 0.2338 0.7025 0.1002 0.066 Uiso calc R 1 . .
    H H22B 0.0910 0.7078 0.0431 0.066 Uiso calc R 1 . .
    H H22C 0.1097 0.6880 0.1519 0.066 Uiso calc R 1 . .
    C C23 0.4810(8) 0.5218(3) 0.3543(6) 0.0260(17) Uani d . 1 . .
    H H23A 0.5089 0.4972 0.4098 0.031 Uiso calc R 1 . .
    H H23B 0.5581 0.5311 0.3243 0.031 Uiso calc R 1 . .
    C C24 0.3854(8) 0.4861(3) 0.2838(6) 0.0255(17) Uani d . 1 . .
    C C25 0.3068(8) 0.5124(4) 0.2070(6) 0.0305(19) Uani d . 1 . .
    H H25 0.3068 0.5552 0.2000 0.037 Uiso calc R 1 . .
    C C26 0.2280(8) 0.4778(4) 0.1399(6) 0.0286(18) Uani d . 1 . .
    C C27 0.2328(8) 0.4150(3) 0.1484(6) 0.0236(16) Uani d . 1 . .
    C C28 0.3102(8) 0.3891(3) 0.2263(6) 0.0260(17) Uani d . 1 . .
    C C29 0.3857(8) 0.4238(3) 0.2952(6) 0.0271(18) Uani d . 1 . .
    H H29 0.4375 0.4053 0.3498 0.032 Uiso calc R 1 . .
    C C30 0.1251(10) 0.5617(4) 0.0575(7) 0.040(2) Uani d . 1 . .
    H H30A 0.0973 0.5749 0.1172 0.060 Uiso calc R 1 . .
    H H30B 0.0568 0.5704 0.0050 0.060 Uiso calc R 1 . .
    H H30C 0.2050 0.5823 0.0474 0.060 Uiso calc R 1 . .
    C C31 0.2184(11) 0.3585(5) 0.0078(7) 0.052(3) Uani d . 1 . .
    H H31A 0.2615 0.3914 -0.0198 0.078 Uiso calc R 1 . .
    H H31B 0.1557 0.3403 -0.0411 0.078 Uiso calc R 1 . .
    H H31C 0.2834 0.3294 0.0328 0.078 Uiso calc R 1 . .
    C C32 0.3822(11) 0.2990(4) 0.3112(6) 0.043(2) Uani d . 1 . .
    H H32A 0.4705 0.3150 0.3191 0.065 Uiso calc R 1 . .
    H H32B 0.3853 0.2566 0.2997 0.065 Uiso calc R 1 . .
    H H32C 0.3424 0.3062 0.3688 0.065 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
    Rh1 C4 . 2.040(7) yes
    Rh1 C5 . 2.107(8) yes
    Rh1 C8 . 2.199(9) yes
    Rh1 C9 . 2.193(9) yes
    Rh1 Cl1 . 2.400(2) yes
    Rh1 C12 . 2.096(8) yes
    O1 C16 . 1.356(9) ?
    O1 C20 . 1.432(12) ?
    O2 C17 . 1.372(10) ?
    O2 C21 . 1.416(10) ?
    O3 C18 . 1.367(9) ?
    O3 C22 . 1.449(10) ?
    O4 C26 . 1.346(10) ?
    O4 C30 . 1.429(9) ?
    O5 C27 . 1.381(9) ?
    O5 C31 . 1.421(10) ?
    O6 C28 . 1.376(9) ?
    O6 C32 . 1.430(11) ?
    N1 C1 . 1.472(10) yes
    N1 C4 . 1.344(10) yes
    N1 C23 . 1.476(10) yes
    N2 C3 . 1.478(10) yes
    N2 C4 . 1.338(10) yes
    N2 C13 . 1.473(10) yes
    C1 C2 . 1.465(11) yes
    C2 C3 . 1.512(11) yes
    C5 C6 . 1.525(12) yes
    C5 C12 . 1.377(12) yes
    C6 C7 . 1.444(14) yes
    C7 C8 . 1.494(14) yes
    C8 C9 . 1.364(13) yes
    C9 C10 . 1.480(14) yes
    C10 C11 . 1.418(15) yes
    C11 C12 . 1.507(13) yes
    C1 H1A . 0.9600 ?
    C1 H1B . 0.9600 ?
    C2 H2A . 0.9600 ?
    C2 H2B . 0.9600 ?
    C3 H3A . 0.9600 ?
    C3 H3B . 0.9600 ?
    C5 H5 . 0.9600 ?
    C6 H6A . 0.9600 ?
    C6 H6B . 0.9600 ?
    C7 H7A . 0.9600 ?
    C7 H7B . 0.9600 ?
    C8 H8 . 0.9600 ?
    C9 H9 . 0.9600 ?
    C10 H10A . 0.9600 ?
    C10 H10B . 0.9600 ?
    C11 H11A . 0.9600 ?
    C11 H11B . 0.9600 ?
    C12 H12 . 0.9600 ?
    C13 C14 . 1.520(12) ?
    C13 H13A . 0.9600 ?
    C13 H13B . 0.9600 ?
    C14 C19 . 1.381(12) ?
    C14 C15 . 1.386(11) ?
    C15 C16 . 1.398(12) ?
    C15 H15 . 0.9600 ?
    C16 C17 . 1.409(12) ?
    C17 C18 . 1.405(10) ?
    C18 C19 . 1.378(11) ?
    C19 H19 . 0.9600 ?
    C20 H20A . 0.9599 ?
    C20 H20B . 0.9599 ?
    C20 H20C . 0.9599 ?
    C21 H21A . 0.9599 ?
    C21 H21B . 0.9599 ?
    C21 H21C . 0.9599 ?
    C22 H22A . 0.9599 ?
    C22 H22B . 0.9599 ?
    C22 H22C . 0.9599 ?
    C23 C24 . 1.514(11) ?
    C23 H23A . 0.9600 ?
    C23 H23B . 0.9600 ?
    C24 C25 . 1.380(11) ?
    C24 C29 . 1.398(11) ?
    C25 C26 . 1.384(12) ?
    C25 H25 . 0.9600 ?
    C26 C27 . 1.406(11) ?
    C27 C28 . 1.381(11) ?
    C28 C29 . 1.384(11) ?
    C29 H29 . 0.9600 ?
    C30 H30A . 0.9599 ?
    C30 H30B . 0.9599 ?
    C30 H30C . 0.9599 ?
    C31 H31A . 0.9599 ?
    C31 H31B . 0.9599 ?
    C31 H31C . 0.9599 ?
    C32 H32A . 0.9599 ?
    C32 H32B . 0.9599 ?
    C32 H32C . 0.9599 ?
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
    C4 Rh1 C5 . . 92.7(3) yes
    C4 Rh1 C8 . . 164.2(4) yes
    C4 Rh1 C9 . . 159.4(3) yes
    C4 Rh1 C12 . . 91.0(3) yes
    C4 Rh1 Cl1 . . 88.93(19) yes
    C5 Rh1 Cl1 . . 161.3(2) yes
    C8 Rh1 Cl1 . . 92.8(3) yes
    C9 Rh1 C8 . . 36.2(3) yes
    C9 Rh1 Cl1 . . 92.7(3) yes
    C12 Rh1 C5 . . 38.2(3) yes
    C12 Rh1 Cl1 . . 160.4(3) yes
    C12 Rh1 C9 . . 80.7(4) ?
    C5 Rh1 C9 . . 92.3(4) ?
    C12 Rh1 C8 . . 92.5(4) ?
    C5 Rh1 C8 . . 80.7(3) ?
    C16 O1 C20 . . 115.8(7) ?
    C17 O2 C21 . . 113.1(6) ?
    C18 O3 C22 . . 117.5(7) ?
    C26 O4 C30 . . 116.9(7) ?
    C27 O5 C31 . . 111.6(7) ?
    C28 O6 C32 . . 117.3(7) ?
    C4 N1 C1 . . 124.6(6) ?
    C4 N1 C23 . . 120.3(6) ?
    C1 N1 C23 . . 115.1(6) ?
    C4 N2 C13 . . 120.0(7) ?
    C4 N2 C3 . . 126.0(7) ?
    C13 N2 C3 . . 113.7(6) ?
    C2 C1 N1 . . 110.1(7) ?
    C2 C1 H1A . . 109.6 ?
    N1 C1 H1A . . 109.6 ?
    C2 C1 H1B . . 109.6 ?
    N1 C1 H1B . . 109.6 ?
    H1A C1 H1B . . 108.2 ?
    C1 C2 C3 . . 111.1(7) ?
    C1 C2 H2A . . 109.4 ?
    C3 C2 H2A . . 109.4 ?
    C1 C2 H2B . . 109.4 ?
    C3 C2 H2B . . 109.4 ?
    H2A C2 H2B . . 108.0 ?
    N2 C3 C2 . . 110.1(7) ?
    N2 C3 H3A . . 109.6 ?
    C2 C3 H3A . . 109.6 ?
    N2 C3 H3B . . 109.6 ?
    C2 C3 H3B . . 109.6 ?
    H3A C3 H3B . . 108.2 ?
    N2 C4 N1 . . 116.1(7) ?
    N2 C4 Rh1 . . 124.0(6) ?
    N1 C4 Rh1 . . 119.8(6) ?
    C12 C5 C6 . . 126.2(9) ?
    C12 C5 Rh1 . . 70.5(5) ?
    C6 C5 Rh1 . . 112.4(6) ?
    C12 C5 H5 . . 116.9 ?
    C6 C5 H5 . . 116.9 ?
    Rh1 C5 H5 . . 87.0 ?
    C7 C6 C5 . . 116.0(8) ?
    C7 C6 H6A . . 108.3 ?
    C5 C6 H6A . . 108.3 ?
    C7 C6 H6B . . 108.3 ?
    C5 C6 H6B . . 108.3 ?
    H6A C6 H6B . . 107.4 ?
    C6 C7 C8 . . 116.8(8) ?
    C6 C7 H7A . . 108.1 ?
    C8 C7 H7A . . 108.1 ?
    C6 C7 H7B . . 108.1 ?
    C8 C7 H7B . . 108.1 ?
    H7A C7 H7B . . 107.3 ?
    C9 C8 C7 . . 123.3(11) ?
    C9 C8 Rh1 . . 71.7(6) ?
    C7 C8 Rh1 . . 110.9(7) ?
    C9 C8 H8 . . 118.3 ?
    C7 C8 H8 . . 118.3 ?
    Rh1 C8 H8 . . 87.4 ?
    C8 C9 C10 . . 126.6(12) ?
    C8 C9 Rh1 . . 72.1(6) ?
    C10 C9 Rh1 . . 109.9(7) ?
    C8 C9 H9 . . 116.7 ?
    C10 C9 H9 . . 116.7 ?
    Rh1 C9 H9 . . 87.8 ?
    C11 C10 C9 . . 116.9(9) ?
    C11 C10 H10A . . 108.1 ?
    C9 C10 H10A . . 108.1 ?
    C11 C10 H10B . . 108.1 ?
    C9 C10 H10B . . 108.1 ?
    H10A C10 H10B . . 107.3 ?
    C10 C11 C12 . . 117.2(9) ?
    C10 C11 H11A . . 108.0 ?
    C12 C11 H11A . . 108.0 ?
    C10 C11 H11B . . 108.0 ?
    C12 C11 H11B . . 108.0 ?
    H11A C11 H11B . . 107.3 ?
    C5 C12 C11 . . 125.4(9) ?
    C5 C12 Rh1 . . 71.3(5) ?
    C11 C12 Rh1 . . 111.8(6) ?
    C5 C12 H12 . . 117.3 ?
    C11 C12 H12 . . 117.3 ?
    Rh1 C12 H12 . . 86.8 ?
    N2 C13 C14 . . 112.2(7) ?
    N2 C13 H13A . . 109.2 ?
    C14 C13 H13A . . 109.2 ?
    N2 C13 H13B . . 109.2 ?
    C14 C13 H13B . . 109.2 ?
    H13A C13 H13B . . 107.9 ?
    C19 C14 C15 . . 120.9(8) ?
    C19 C14 C13 . . 120.0(7) ?
    C15 C14 C13 . . 119.0(8) ?
    C14 C15 C16 . . 120.3(8) ?
    C14 C15 H15 . . 119.8 ?
    C16 C15 H15 . . 119.8 ?
    O1 C16 C15 . . 125.7(8) ?
    O1 C16 C17 . . 115.6(8) ?
    C15 C16 C17 . . 118.7(7) ?
    O2 C17 C18 . . 120.3(7) ?
    O2 C17 C16 . . 119.9(7) ?
    C18 C17 C16 . . 119.7(7) ?
    O3 C18 C19 . . 124.5(7) ?
    O3 C18 C17 . . 115.0(7) ?
    C19 C18 C17 . . 120.5(7) ?
    C18 C19 C14 . . 119.8(7) ?
    C18 C19 H19 . . 120.1 ?
    C14 C19 H19 . . 120.1 ?
    O1 C20 H20A . . 109.5 ?
    O1 C20 H20B . . 109.5 ?
    H20A C20 H20B . . 109.5 ?
    O1 C20 H20C . . 109.5 ?
    H20A C20 H20C . . 109.5 ?
    H20B C20 H20C . . 109.5 ?
    O2 C21 H21A . . 109.5 ?
    O2 C21 H21B . . 109.5 ?
    H21A C21 H21B . . 109.5 ?
    O2 C21 H21C . . 109.5 ?
    H21A C21 H21C . . 109.5 ?
    H21B C21 H21C . . 109.5 ?
    O3 C22 H22A . . 109.5 ?
    O3 C22 H22B . . 109.5 ?
    H22A C22 H22B . . 109.5 ?
    O3 C22 H22C . . 109.5 ?
    H22A C22 H22C . . 109.5 ?
    H22B C22 H22C . . 109.5 ?
    N1 C23 C24 . . 114.1(6) ?
    N1 C23 H23A . . 108.7 ?
    C24 C23 H23A . . 108.7 ?
    N1 C23 H23B . . 108.7 ?
    C24 C23 H23B . . 108.7 ?
    H23A C23 H23B . . 107.6 ?
    C25 C24 C29 . . 120.1(7) ?
    C25 C24 C23 . . 122.6(7) ?
    C29 C24 C23 . . 117.1(7) ?
    C24 C25 C26 . . 120.9(7) ?
    C24 C25 H25 . . 119.5 ?
    C26 C25 H25 . . 119.5 ?
    O4 C26 C25 . . 125.9(7) ?
    O4 C26 C27 . . 114.9(7) ?
    C25 C26 C27 . . 119.1(7) ?
    O5 C27 C28 . . 120.5(7) ?
    O5 C27 C26 . . 119.7(7) ?
    C28 C27 C26 . . 119.5(7) ?
    O6 C28 C27 . . 115.5(7) ?
    O6 C28 C29 . . 123.2(7) ?
    C27 C28 C29 . . 121.3(7) ?
    C28 C29 C24 . . 118.9(7) ?
    C28 C29 H29 . . 120.5 ?
    C24 C29 H29 . . 120.5 ?
    O4 C30 H30A . . 109.5 ?
    O4 C30 H30B . . 109.5 ?
    H30A C30 H30B . . 109.5 ?
    O4 C30 H30C . . 109.5 ?
    H30A C30 H30C . . 109.5 ?
    H30B C30 H30C . . 109.5 ?
    O5 C31 H31A . . 109.5 ?
    O5 C31 H31B . . 109.5 ?
    H31A C31 H31B . . 109.5 ?
    O5 C31 H31C . . 109.5 ?
    H31A C31 H31C . . 109.5 ?
    H31B C31 H31C . . 109.5 ?
    O6 C32 H32A . . 109.5 ?
    O6 C32 H32B . . 109.5 ?
    H32A C32 H32B . . 109.5 ?
    O6 C32 H32C . . 109.5 ?
    H32A C32 H32C . . 109.5 ?
    H32B C32 H32C . . 109.5 ?
data_global
_journal_date_recd_electronic     2007-01-09
_journal_date_accepted     2007-02-08
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2007
_journal_volume     63
_journal_issue      3
_journal_page_first     m770
_journal_page_last     m771
_journal_paper_category     EM
_journal_coeditor_code     TK2120
_publ_contact_author_name     'Hakan Arslan'
_publ_contact_author_address
;
Department of Chemistry
Faculty of Arts and Science
Mersin University
Mersin TR-33343
Turkey
;
_publ_contact_author_email     arslanh@mersin.edu.tr
_publ_contact_author_fax     '+90.324.3413022'
_publ_contact_author_phone     '+90.532.7073122'
_publ_section_title
;\
{1,3-Bis(3,4,5-trimethoxybenzyl)-3,4,5,6-tetrahydropyrimidin-2-ylidene}\
chloro(η⁴-cycloocta-1,5-diene)rhodium(I)
;
loop_
    _publ_author_name
    _publ_author_address
    'Arslan, Hakan'
;
Department of Chemistry
Faculty of Arts and Science
Mersin University
Mersin TR-33343
Turkey
;
    'VanDerveer, Don'
;
Department of Chemistry
Clemson University
Clemson
SC 29634-0973
USA
;
    'Özdemir, İsmail'
;
Department of Chemistry
Faculty of Science and Arts
İnönü University
Malatya TR-44280
Turkey
;
    'Demir, Serpil'
;
Department of Chemistry
Faculty of Science and Arts
İnönü University
Malatya TR-44280
Turkey
;
    'Çetinkaya, Bekir'
;
Department of Chemistry
Faculty of Science
Ege University
İzmir TR-35100
Turkey
;
