# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2006

data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

_publ_contact_author_name        'Nam Hur'
_publ_contact_author_address     
;
Center for CMR Materials and Division of Electromagnetic Metrology
Korea Research Institute of Standards and Science
P. O. Box 102
Daejeon
305-600
SOUTH KOREA
;

_publ_contact_author_email       NHHUR@KRISS.RE.KR

_publ_section_title              
;
Growth of FePt nanocrystals by a single bimetallic
precursor [(CO)3Fe(?-dppm)(?-CO)PtCl2]
;
loop_
_publ_author_name
'Nam Hur.'
'Jung Hoon Hong.'
'Wan Seop Kim.'
'Youngmee Kim.'
'Sung-Jin Kim.'
;
Yong Bok Lee
;
'Hyon Min Song.'

# Attachment 'Hur.cif'

data_(CO)3Fe(dppm)(CO)PtCl2
_database_code_depnum_ccdc_archive 'CCDC 291487'
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C29 H22 C2 Fe O4 P2 Pt'
_chemical_formula_weight         818.27

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/n

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   12.5348(7)
_cell_length_b                   17.6624(10)
_cell_length_c                   13.2114(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 102.1710(10)
_cell_angle_gamma                90.00
_cell_volume                     2859.2(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    1350
_cell_measurement_theta_min      1.5
_cell_measurement_theta_max      28

_exptl_crystal_description       monoclinic
_exptl_crystal_colour            pale
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.1
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    1.901
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1584
_exptl_absorpt_coefficient_mu    5.728
_exptl_absorpt_correction_type   'not measured'
_exptl_absorpt_correction_T_min  'not measured'
_exptl_absorpt_correction_T_max  'not measured'
_exptl_absorpt_process_details   'not measured'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX smart CCD'
_diffrn_measurement_method       'transmittance with Laue geometry'
_diffrn_detector_area_resol_mean '16 megapixels'
_diffrn_standards_number         'not measured'
_diffrn_standards_interval_count 'not measured'
_diffrn_standards_interval_time  'not measured'
_diffrn_standards_decay_%        'not measured'
_diffrn_reflns_number            15966
_diffrn_reflns_av_R_equivalents  0.0596
_diffrn_reflns_av_sigmaI/netI    0.0783
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.95
_diffrn_reflns_theta_max         26.05
_reflns_number_total             5624
_reflns_number_gt                3854
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART program'
_computing_cell_refinement       'Bruker SMART program'
_computing_data_reduction        'Bruker SMART program'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    Ortep
_computing_publication_material  'enCIFer 1.2'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00001(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_number_reflns         5624
_refine_ls_number_parameters     353
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0447
_refine_ls_R_factor_gt           0.0294
_refine_ls_wR_factor_ref         0.0571
_refine_ls_wR_factor_gt          0.0561
_refine_ls_goodness_of_fit_ref   0.948
_refine_ls_restrained_S_all      0.948
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.622760(17) 0.835814(12) -0.173837(17) 0.02994(8) Uani 1 1 d . . .
Fe1 Fe 0.48949(6) 0.83221(5) -0.04372(6) 0.03203(19) Uani 1 1 d . . .
Cl1 Cl 0.71333(12) 0.81094(8) -0.30898(10) 0.0435(4) Uani 1 1 d . . .
Cl2 Cl 0.47884(12) 0.88348(10) -0.30139(11) 0.0531(4) Uani 1 1 d . . .
P1 P 0.76556(11) 0.78263(8) -0.06782(11) 0.0287(3) Uani 1 1 d . . .
P2 P 0.60873(11) 0.77056(8) 0.08252(11) 0.0304(4) Uani 1 1 d . . .
O1 O 0.6372(3) 0.9647(2) -0.0288(3) 0.0538(12) Uani 1 1 d . . .
O2 O 0.3073(3) 0.9226(3) -0.1615(3) 0.0615(13) Uani 1 1 d . . .
O3 O 0.3604(3) 0.8575(3) 0.1128(3) 0.0635(14) Uani 1 1 d . . .
O4 O 0.4203(3) 0.6908(2) -0.1601(4) 0.0625(13) Uani 1 1 d . . .
C1 C 0.5915(4) 0.9091(3) -0.0470(4) 0.0356(14) Uani 1 1 d . . .
C2 C 0.3823(5) 0.8870(3) -0.1227(4) 0.0418(16) Uani 1 1 d . . .
C3 C 0.4120(4) 0.8476(3) 0.0540(5) 0.0420(15) Uani 1 1 d . . .
C4 C 0.4463(4) 0.7450(4) -0.1124(5) 0.0410(16) Uani 1 1 d . . .
C5 C 0.7489(4) 0.7785(3) 0.0673(4) 0.0303(13) Uani 1 1 d . . .
H5A H 0.7897 0.7355 0.1009 0.036 Uiso 1 1 calc R . .
H5B H 0.7807 0.8238 0.1029 0.036 Uiso 1 1 calc R . .
C11 C 0.8945(4) 0.8324(3) -0.0508(4) 0.0313(13) Uani 1 1 d . . .
C12 C 0.9800(4) 0.8176(3) 0.0334(4) 0.0384(15) Uani 1 1 d . . .
H12 H 0.9715 0.7801 0.0805 0.046 Uiso 1 1 calc R . .
C13 C 1.0756(5) 0.8569(3) 0.0478(4) 0.0437(16) Uani 1 1 d . . .
H13 H 1.1316 0.8456 0.1040 0.052 Uiso 1 1 calc R . .
C14 C 1.0900(5) 0.9129(3) -0.0197(5) 0.0449(16) Uani 1 1 d . . .
H14 H 1.1554 0.9395 -0.0091 0.054 Uiso 1 1 calc R . .
C15 C 1.0083(5) 0.9296(4) -0.1027(5) 0.0575(19) Uani 1 1 d . . .
H15 H 1.0175 0.9675 -0.1488 0.069 Uiso 1 1 calc R . .
C16 C 0.9115(5) 0.8892(3) -0.1171(5) 0.0464(16) Uani 1 1 d . . .
H16 H 0.8560 0.9008 -0.1737 0.056 Uiso 1 1 calc R . .
C21 C 0.7846(4) 0.6855(3) -0.1035(4) 0.0322(14) Uani 1 1 d . . .
C22 C 0.8804(5) 0.6468(3) -0.0661(5) 0.0465(16) Uani 1 1 d . . .
H22 H 0.9385 0.6715 -0.0235 0.056 Uiso 1 1 calc R . .
C23 C 0.8908(5) 0.5712(3) -0.0916(5) 0.0552(19) Uani 1 1 d . . .
H23 H 0.9549 0.5453 -0.0636 0.066 Uiso 1 1 calc R . .
C24 C 0.8089(5) 0.5344(3) -0.1566(5) 0.0523(18) Uani 1 1 d . . .
H24 H 0.8170 0.4842 -0.1744 0.063 Uiso 1 1 calc R . .
C25 C 0.7117(5) 0.5735(3) -0.1964(5) 0.0499(17) Uani 1 1 d . . .
H25 H 0.6549 0.5494 -0.2415 0.060 Uiso 1 1 calc R . .
C26 C 0.7006(5) 0.6487(3) -0.1683(4) 0.0368(14) Uani 1 1 d . . .
H26 H 0.6355 0.6742 -0.1937 0.044 Uiso 1 1 calc R . .
C31 C 0.6230(4) 0.8078(3) 0.2147(4) 0.0321(14) Uani 1 1 d . . .
C32 C 0.6189(4) 0.8856(3) 0.2288(5) 0.0414(16) Uani 1 1 d . . .
H32 H 0.6038 0.9176 0.1717 0.050 Uiso 1 1 calc R . .
C33 C 0.6374(4) 0.9152(4) 0.3273(5) 0.0468(16) Uani 1 1 d . . .
H33 H 0.6342 0.9673 0.3367 0.056 Uiso 1 1 calc R . .
C34 C 0.6605(5) 0.8683(4) 0.4115(5) 0.0466(17) Uani 1 1 d . . .
H34 H 0.6748 0.8887 0.4779 0.056 Uiso 1 1 calc R . .
C35 C 0.6625(4) 0.7915(4) 0.3985(5) 0.0452(16) Uani 1 1 d . . .
H35 H 0.6767 0.7600 0.4561 0.054 Uiso 1 1 calc R . .
C36 C 0.6433(4) 0.7604(3) 0.2996(4) 0.0398(15) Uani 1 1 d . . .
H36 H 0.6442 0.7082 0.2908 0.048 Uiso 1 1 calc R . .
C41 C 0.5789(4) 0.6713(3) 0.0947(4) 0.0300(13) Uani 1 1 d . . .
C42 C 0.6533(5) 0.6139(3) 0.1007(4) 0.0444(16) Uani 1 1 d . . .
H42 H 0.7247 0.6255 0.0969 0.053 Uiso 1 1 calc R . .
C43 C 0.6251(5) 0.5394(3) 0.1125(5) 0.0532(18) Uani 1 1 d . . .
H43 H 0.6766 0.5012 0.1142 0.064 Uiso 1 1 calc R . .
C44 C 0.5211(5) 0.5219(3) 0.1216(5) 0.0519(17) Uani 1 1 d . . .
H44 H 0.5016 0.4720 0.1310 0.062 Uiso 1 1 calc R . .
C45 C 0.4463(5) 0.5790(3) 0.1167(5) 0.0476(17) Uani 1 1 d . . .
H45 H 0.3753 0.5673 0.1219 0.057 Uiso 1 1 calc R . .
C46 C 0.4735(4) 0.6526(3) 0.1043(4) 0.0450(16) Uani 1 1 d . . .
H46 H 0.4216 0.6905 0.1023 0.054 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pt1 0.03062(12) 0.03399(12) 0.02549(12) 0.00277(13) 0.00654(9) 0.00124(12)
Fe1 0.0285(4) 0.0363(5) 0.0321(5) 0.0018(4) 0.0082(4) 0.0030(4)
Cl1 0.0518(10) 0.0513(9) 0.0320(8) 0.0008(8) 0.0190(7) -0.0001(7)
Cl2 0.0474(10) 0.0740(11) 0.0364(9) 0.0142(9) 0.0054(8) 0.0180(9)
P1 0.0289(8) 0.0334(8) 0.0256(8) 0.0015(7) 0.0100(7) 0.0003(7)
P2 0.0288(8) 0.0347(9) 0.0294(8) 0.0025(8) 0.0103(7) 0.0006(7)
O1 0.066(3) 0.039(3) 0.059(3) -0.018(2) 0.020(2) -0.014(2)
O2 0.053(3) 0.078(3) 0.052(3) 0.004(3) 0.008(2) 0.022(3)
O3 0.049(3) 0.088(4) 0.063(3) 0.006(3) 0.033(2) 0.016(3)
O4 0.054(3) 0.055(3) 0.077(3) -0.019(3) 0.011(3) -0.010(2)
C1 0.040(4) 0.038(4) 0.024(3) -0.003(3) -0.003(3) 0.006(3)
C2 0.046(4) 0.048(4) 0.036(4) -0.002(3) 0.018(3) 0.000(3)
C3 0.033(3) 0.044(4) 0.050(4) 0.011(4) 0.011(3) 0.010(3)
C4 0.022(3) 0.052(4) 0.048(4) 0.007(4) 0.008(3) 0.002(3)
C5 0.027(3) 0.035(3) 0.028(3) 0.002(3) 0.004(3) -0.005(3)
C11 0.033(3) 0.038(3) 0.027(3) -0.002(3) 0.014(3) 0.001(3)
C12 0.031(3) 0.052(4) 0.032(3) 0.005(3) 0.008(3) -0.003(3)
C13 0.036(4) 0.056(4) 0.038(4) -0.001(3) 0.007(3) -0.002(3)
C14 0.035(4) 0.048(4) 0.051(4) -0.007(4) 0.010(3) -0.008(3)
C15 0.052(4) 0.061(4) 0.062(5) 0.014(4) 0.017(4) -0.020(4)
C16 0.038(4) 0.056(4) 0.042(4) 0.003(4) 0.001(3) -0.004(3)
C21 0.038(4) 0.037(4) 0.027(3) 0.008(3) 0.017(3) 0.003(3)
C22 0.038(4) 0.046(4) 0.055(4) 0.003(4) 0.008(3) 0.001(3)
C23 0.046(4) 0.039(4) 0.079(5) 0.006(4) 0.011(4) 0.008(3)
C24 0.065(5) 0.029(4) 0.070(5) 0.000(4) 0.030(4) -0.003(4)
C25 0.048(4) 0.043(4) 0.060(5) 0.008(4) 0.013(4) -0.011(3)
C26 0.034(3) 0.039(4) 0.039(4) 0.008(3) 0.012(3) 0.000(3)
C31 0.028(3) 0.045(4) 0.027(3) 0.004(3) 0.011(3) -0.002(3)
C32 0.051(4) 0.044(4) 0.033(4) 0.003(3) 0.018(3) -0.005(3)
C33 0.045(4) 0.044(4) 0.049(4) -0.016(4) 0.003(3) -0.004(3)
C34 0.044(4) 0.068(5) 0.030(4) -0.010(4) 0.013(3) -0.004(3)
C35 0.043(4) 0.061(5) 0.034(4) 0.008(4) 0.014(3) 0.001(3)
C36 0.045(4) 0.042(4) 0.033(4) 0.006(3) 0.012(3) 0.010(3)
C41 0.030(3) 0.027(3) 0.034(3) 0.002(3) 0.009(3) 0.003(3)
C42 0.042(4) 0.048(4) 0.045(4) 0.001(4) 0.013(3) -0.003(3)
C43 0.054(4) 0.034(4) 0.070(5) -0.003(4) 0.009(4) 0.011(3)
C44 0.063(5) 0.033(4) 0.063(5) 0.006(4) 0.021(4) -0.005(3)
C45 0.041(4) 0.042(4) 0.065(5) 0.007(4) 0.022(3) -0.009(3)
C46 0.038(4) 0.037(4) 0.063(4) 0.008(4) 0.018(3) 0.005(3)

_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_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C1 2.217(5) . ?
Pt1 P1 2.2340(14) . ?
Pt1 Cl2 2.3496(15) . ?
Pt1 Cl1 2.3504(13) . ?
Pt1 Fe1 2.6383(7) . ?
Fe1 C3 1.792(6) . ?
Fe1 C2 1.800(6) . ?
Fe1 C4 1.812(7) . ?
Fe1 C1 1.872(6) . ?
Fe1 P2 2.2693(16) . ?
P1 C21 1.809(5) . ?
P1 C11 1.812(5) . ?
P1 C5 1.842(5) . ?
P2 C41 1.807(5) . ?
P2 C5 1.816(5) . ?
P2 C31 1.839(5) . ?
O1 C1 1.137(6) . ?
O2 C2 1.157(6) . ?
O3 C3 1.124(6) . ?
O4 C4 1.154(6) . ?
C11 C16 1.378(7) . ?
C11 C12 1.397(7) . ?
C12 C13 1.364(7) . ?
C13 C14 1.369(7) . ?
C14 C15 1.366(8) . ?
C15 C16 1.385(7) . ?
C21 C26 1.372(7) . ?
C21 C22 1.380(7) . ?
C22 C23 1.391(7) . ?
C23 C24 1.357(8) . ?
C24 C25 1.402(8) . ?
C25 C26 1.393(7) . ?
C31 C36 1.380(7) . ?
C31 C32 1.389(8) . ?
C32 C33 1.377(7) . ?
C33 C34 1.368(8) . ?
C34 C35 1.368(8) . ?
C35 C36 1.391(7) . ?
C41 C42 1.367(7) . ?
C41 C46 1.394(6) . ?
C42 C43 1.380(7) . ?
C43 C44 1.370(7) . ?
C44 C45 1.370(7) . ?
C45 C46 1.362(7) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Pt1 P1 90.99(14) . . ?
C1 Pt1 Cl2 95.85(14) . . ?
P1 Pt1 Cl2 173.12(5) . . ?
C1 Pt1 Cl1 150.93(16) . . ?
P1 Pt1 Cl1 86.92(5) . . ?
Cl2 Pt1 Cl1 86.73(5) . . ?
C1 Pt1 Fe1 44.32(16) . . ?
P1 Pt1 Fe1 96.60(4) . . ?
Cl2 Pt1 Fe1 88.86(4) . . ?
Cl1 Pt1 Fe1 164.59(4) . . ?
C3 Fe1 C2 83.4(2) . . ?
C3 Fe1 C4 109.9(3) . . ?
C2 Fe1 C4 93.4(3) . . ?
C3 Fe1 C1 112.5(3) . . ?
C2 Fe1 C1 91.5(2) . . ?
C4 Fe1 C1 137.6(2) . . ?
C3 Fe1 P2 85.22(18) . . ?
C2 Fe1 P2 168.41(18) . . ?
C4 Fe1 P2 92.35(18) . . ?
C1 Fe1 P2 91.01(17) . . ?
C3 Fe1 Pt1 168.32(19) . . ?
C2 Fe1 Pt1 96.12(17) . . ?
C4 Fe1 Pt1 81.82(17) . . ?
C1 Fe1 Pt1 55.81(17) . . ?
P2 Fe1 Pt1 94.65(4) . . ?
C21 P1 C11 109.3(2) . . ?
C21 P1 C5 105.3(2) . . ?
C11 P1 C5 100.3(2) . . ?
C21 P1 Pt1 111.56(19) . . ?
C11 P1 Pt1 116.72(19) . . ?
C5 P1 Pt1 112.62(16) . . ?
C41 P2 C5 107.9(2) . . ?
C41 P2 C31 104.1(2) . . ?
C5 P2 C31 100.1(2) . . ?
C41 P2 Fe1 114.48(18) . . ?
C5 P2 Fe1 112.60(17) . . ?
C31 P2 Fe1 116.31(19) . . ?
O1 C1 Fe1 159.7(5) . . ?
O1 C1 Pt1 120.2(5) . . ?
Fe1 C1 Pt1 79.9(2) . . ?
O2 C2 Fe1 170.6(5) . . ?
O3 C3 Fe1 177.7(5) . . ?
O4 C4 Fe1 176.8(5) . . ?
P2 C5 P1 114.9(3) . . ?
C16 C11 C12 116.6(5) . . ?
C16 C11 P1 121.9(4) . . ?
C12 C11 P1 121.5(4) . . ?
C13 C12 C11 121.3(5) . . ?
C12 C13 C14 120.7(6) . . ?
C15 C14 C13 119.9(6) . . ?
C14 C15 C16 119.1(6) . . ?
C11 C16 C15 122.4(5) . . ?
C26 C21 C22 119.0(5) . . ?
C26 C21 P1 119.1(4) . . ?
C22 C21 P1 121.9(4) . . ?
C21 C22 C23 120.5(6) . . ?
C24 C23 C22 121.0(6) . . ?
C23 C24 C25 119.0(6) . . ?
C26 C25 C24 119.8(6) . . ?
C21 C26 C25 120.7(6) . . ?
C36 C31 C32 119.8(5) . . ?
C36 C31 P2 121.3(4) . . ?
C32 C31 P2 118.8(5) . . ?
C33 C32 C31 120.0(6) . . ?
C34 C33 C32 120.2(6) . . ?
C35 C34 C33 120.3(6) . . ?
C34 C35 C36 120.4(6) . . ?
C31 C36 C35 119.3(6) . . ?
C42 C41 C46 117.8(5) . . ?
C42 C41 P2 124.9(4) . . ?
C46 C41 P2 117.1(4) . . ?
C41 C42 C43 121.7(5) . . ?
C44 C43 C42 119.7(6) . . ?
C45 C44 C43 119.0(6) . . ?
C46 C45 C44 121.5(5) . . ?
C45 C46 C41 120.2(5) . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        26.05
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.212
_refine_diff_density_min         -1.014
_refine_diff_density_rms         0.108