data_global
_journal_name_full               CrystEngComm

_journal_coden_Cambridge         1350

_publ_contact_author_name        'Li, Xing'
_publ_contact_author_email       lix905@126.com

_publ_section_title              
;
Synthesis, Photoluminescence, Catalysis and Multilayer
Films Assembly of Ethynylpyridine Platinum Compound
;
_publ_author_name                'Xing Li'

data_s157
_database_code_depnum_ccdc_archive 'CCDC 780415'
#TrackingRef 's07srv157.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C40 H32 N2 P2 Pt'
_chemical_formula_sum            'C40 H32 N2 P2 Pt'
_chemical_formula_weight         797.71

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'
N N 0.0061 0.0033 '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'
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   'C 1 c 1 '
_symmetry_space_group_name_Hall  'C -2yc '
_symmetry_int_tables_number      9

_chemical_absolute_configuration ad

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

_cell_length_a                   17.8507(7)
_cell_length_b                   21.4219(7)
_cell_length_c                   9.0526(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 108.98(2)
_cell_angle_gamma                90.00
_cell_volume                     3273.5(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    999
_cell_measurement_theta_min      1.54
_cell_measurement_theta_max      30.00

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 0.192596(18) 0.291914(7) 0.75924(2) 0.01675(5) Uani 1 1 d . . .
P1 P 0.12346(9) 0.20260(6) 0.76154(19) 0.0177(3) Uani 1 1 d . . .
P2 P 0.09009(8) 0.31525(6) 0.53739(17) 0.0180(3) Uani 1 1 d . . .
N1 N 0.4421(3) 0.5639(3) 0.7039(7) 0.0331(12) Uani 1 1 d . . .
N2 N 0.4033(4) 0.2115(2) 1.5838(8) 0.0312(13) Uani 1 1 d . . .
C1 C 0.2542(3) 0.3682(3) 0.7391(7) 0.0246(11) Uani 1 1 d . . .
C2 C 0.2940(4) 0.4102(3) 0.7237(7) 0.0248(11) Uani 1 1 d . . .
C3 C 0.3446(4) 0.4616(3) 0.7134(8) 0.0243(11) Uani 1 1 d . . .
C4 C 0.3169(4) 0.5128(3) 0.6164(8) 0.0276(12) Uani 1 1 d . . .
H4A H 0.2635 0.5134 0.5490 0.033 Uiso 1 1 calc R . .
C5 C 0.3658(4) 0.5627(3) 0.6168(8) 0.0273(12) Uani 1 1 d . . .
H5A H 0.3442 0.5977 0.5524 0.033 Uiso 1 1 calc R . .
C6 C 0.4701(4) 0.5137(4) 0.7935(10) 0.0439(19) Uani 1 1 d . . .
H6A H 0.5248 0.5131 0.8532 0.053 Uiso 1 1 calc R . .
C7 C 0.4253(4) 0.4632(3) 0.8047(9) 0.0298(14) Uani 1 1 d . . .
H7A H 0.4482 0.4297 0.8732 0.036 Uiso 1 1 calc R . .
C8 C 0.2744(3) 0.2724(3) 0.9684(7) 0.0218(11) Uani 1 1 d . . .
C9 C 0.3122(3) 0.2637(3) 1.1021(8) 0.0251(11) Uani 1 1 d . . .
C10 C 0.3453(4) 0.2472(3) 1.2653(7) 0.0259(12) Uani 1 1 d . . .
C11 C 0.3930(4) 0.1937(3) 1.3152(8) 0.0258(12) Uani 1 1 d . . .
H11A H 0.4063 0.1682 1.2416 0.031 Uiso 1 1 calc R . .
C12 C 0.4200(4) 0.1787(3) 1.4723(8) 0.0305(13) Uani 1 1 d . . .
H12A H 0.4526 0.1429 1.5034 0.037 Uiso 1 1 calc R . .
C13 C 0.3592(4) 0.2623(3) 1.5355(8) 0.0299(13) Uani 1 1 d . . .
H13A H 0.3469 0.2868 1.6121 0.036 Uiso 1 1 calc R . .
C14 C 0.3299(4) 0.2821(3) 1.3813(9) 0.0281(13) Uani 1 1 d . . .
H14A H 0.2995 0.3194 1.3553 0.034 Uiso 1 1 calc R . .
C15 C 0.0233(3) 0.2124(2) 0.6221(8) 0.0197(11) Uani 1 1 d . . .
H15A H -0.0025 0.1711 0.5947 0.024 Uiso 1 1 calc R . .
H15B H -0.0091 0.2379 0.6698 0.024 Uiso 1 1 calc R . .
C16 C 0.0285(3) 0.2445(2) 0.4755(6) 0.0200(10) Uani 1 1 d . . .
H16A H -0.0251 0.2560 0.4061 0.024 Uiso 1 1 calc R . .
H16B H 0.0528 0.2161 0.4177 0.024 Uiso 1 1 calc R . .
C21 C 0.1134(3) 0.1724(2) 0.9418(7) 0.0197(10) Uani 1 1 d . . .
C22 C 0.0412(3) 0.1681(3) 0.9667(7) 0.0247(11) Uani 1 1 d . . .
H22A H -0.0059 0.1810 0.8879 0.030 Uiso 1 1 calc R . .
C23 C 0.0380(4) 0.1444(3) 1.1100(8) 0.0268(12) Uani 1 1 d . . .
H23A H -0.0116 0.1407 1.1270 0.032 Uiso 1 1 calc R . .
C24 C 0.1059(4) 0.1268(3) 1.2246(7) 0.0260(12) Uani 1 1 d . . .
H24A H 0.1034 0.1119 1.3217 0.031 Uiso 1 1 calc R . .
C25 C 0.1791(4) 0.1305(3) 1.1993(7) 0.0247(11) Uani 1 1 d . . .
H25A H 0.2263 0.1182 1.2788 0.030 Uiso 1 1 calc R . .
C26 C 0.1822(3) 0.1523(3) 1.0583(7) 0.0238(11) Uani 1 1 d . . .
H26A H 0.2316 0.1537 1.0397 0.029 Uiso 1 1 calc R . .
C31 C 0.1631(3) 0.1363(2) 0.6837(6) 0.0185(10) Uani 1 1 d . . .
C32 C 0.2350(3) 0.1422(3) 0.6519(7) 0.0233(11) Uani 1 1 d . . .
H32A H 0.2624 0.1809 0.6674 0.028 Uiso 1 1 calc R . .
C33 C 0.2655(3) 0.0903(3) 0.5972(8) 0.0269(12) Uani 1 1 d . . .
H33A H 0.3142 0.0935 0.5762 0.032 Uiso 1 1 calc R . .
C34 C 0.2254(4) 0.0349(3) 0.5739(8) 0.0288(12) Uani 1 1 d . . .
H34A H 0.2457 0.0002 0.5337 0.035 Uiso 1 1 calc R . .
C35 C 0.1558(4) 0.0288(3) 0.6079(8) 0.0257(12) Uani 1 1 d . . .
H35A H 0.1292 -0.0103 0.5926 0.031 Uiso 1 1 calc R . .
C36 C 0.1242(3) 0.0792(2) 0.6645(7) 0.0224(11) Uani 1 1 d . . .
H36A H 0.0768 0.0747 0.6895 0.027 Uiso 1 1 calc R . .
C41 C 0.1112(3) 0.3452(3) 0.3691(6) 0.0200(10) Uani 1 1 d . . .
C42 C 0.1102(4) 0.3068(3) 0.2437(8) 0.0248(12) Uani 1 1 d . . .
H42A H 0.0940 0.2645 0.2415 0.030 Uiso 1 1 calc R . .
C43 C 0.1330(4) 0.3310(3) 0.1217(8) 0.0290(13) Uani 1 1 d . . .
H43A H 0.1320 0.3052 0.0358 0.035 Uiso 1 1 calc R . .
C44 C 0.1569(4) 0.3924(3) 0.1254(8) 0.0335(14) Uani 1 1 d . . .
H44A H 0.1735 0.4082 0.0429 0.040 Uiso 1 1 calc R . .
C45 C 0.1571(5) 0.4317(3) 0.2487(9) 0.0382(16) Uani 1 1 d . . .
H45A H 0.1714 0.4744 0.2487 0.046 Uiso 1 1 calc R . .
C46 C 0.1359(4) 0.4069(3) 0.3720(8) 0.0321(14) Uani 1 1 d . . .
H46A H 0.1384 0.4325 0.4591 0.038 Uiso 1 1 calc R . .
C51 C 0.0235(3) 0.3732(2) 0.5734(7) 0.0205(10) Uani 1 1 d . . .
C52 C -0.0507(4) 0.3852(3) 0.4640(8) 0.0279(12) Uani 1 1 d . . .
H52A H -0.0678 0.3625 0.3687 0.033 Uiso 1 1 calc R . .
C53 C -0.0991(4) 0.4301(3) 0.4946(8) 0.0330(14) Uani 1 1 d . . .
H53A H -0.1494 0.4386 0.4196 0.040 Uiso 1 1 calc R . .
C54 C -0.0748(4) 0.4630(3) 0.6343(9) 0.0351(15) Uani 1 1 d . . .
H54A H -0.1089 0.4933 0.6551 0.042 Uiso 1 1 calc R . .
C55 C -0.0013(5) 0.4518(3) 0.7432(10) 0.0354(15) Uani 1 1 d . . .
H55A H 0.0158 0.4753 0.8373 0.042 Uiso 1 1 calc R . .
C56 C 0.0473(4) 0.4061(3) 0.7147(8) 0.0272(12) Uani 1 1 d . . .
H56A H 0.0969 0.3970 0.7914 0.033 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 0.01595(8) 0.01589(8) 0.01978(9) 0.00037(11) 0.00771(6) -0.00151(10)
P1 0.0160(6) 0.0183(6) 0.0196(7) 0.0015(5) 0.0067(5) -0.0011(4)
P2 0.0182(6) 0.0166(6) 0.0207(7) -0.0001(5) 0.0083(5) -0.0004(5)
N1 0.028(3) 0.034(3) 0.036(3) 0.007(2) 0.009(2) -0.008(2)
N2 0.025(3) 0.042(3) 0.026(3) -0.001(2) 0.008(2) -0.005(2)
C1 0.017(2) 0.035(3) 0.021(3) -0.002(2) 0.006(2) 0.000(2)
C2 0.030(3) 0.020(2) 0.026(3) 0.002(2) 0.011(2) 0.006(2)
C3 0.020(3) 0.025(3) 0.029(3) 0.001(2) 0.011(2) 0.001(2)
C4 0.026(3) 0.023(3) 0.034(3) 0.003(2) 0.009(2) 0.004(2)
C5 0.026(3) 0.024(3) 0.035(3) 0.003(2) 0.014(2) -0.003(2)
C6 0.024(3) 0.056(4) 0.046(4) 0.017(4) 0.003(3) -0.019(3)
C7 0.018(3) 0.031(3) 0.039(4) 0.009(3) 0.007(3) -0.008(2)
C8 0.022(2) 0.020(2) 0.022(3) 0.001(2) 0.005(2) -0.007(2)
C9 0.019(2) 0.026(3) 0.030(3) -0.004(2) 0.008(2) -0.004(2)
C10 0.021(3) 0.028(3) 0.028(3) -0.001(2) 0.008(2) -0.006(2)
C11 0.020(3) 0.031(3) 0.024(3) 0.002(3) 0.004(2) 0.002(2)
C12 0.019(3) 0.034(3) 0.039(4) 0.001(3) 0.009(2) 0.001(2)
C13 0.022(3) 0.046(4) 0.022(3) -0.005(3) 0.008(2) -0.003(2)
C14 0.019(3) 0.034(3) 0.029(3) -0.001(3) 0.003(2) 0.003(2)
C15 0.016(2) 0.022(2) 0.023(3) -0.002(2) 0.008(2) 0.0010(17)
C16 0.020(2) 0.018(2) 0.019(3) -0.004(2) 0.003(2) -0.0085(18)
C21 0.021(2) 0.016(2) 0.024(3) -0.001(2) 0.009(2) -0.0060(18)
C22 0.021(2) 0.028(3) 0.027(3) 0.005(2) 0.012(2) 0.003(2)
C23 0.026(3) 0.030(3) 0.027(3) 0.002(3) 0.012(2) -0.002(2)
C24 0.040(3) 0.021(2) 0.022(3) 0.001(2) 0.015(2) -0.001(2)
C25 0.027(3) 0.023(2) 0.023(3) -0.001(2) 0.007(2) -0.003(2)
C26 0.024(3) 0.024(2) 0.023(3) 0.006(2) 0.008(2) -0.005(2)
C31 0.014(2) 0.021(2) 0.015(2) -0.0009(19) -0.0039(18) 0.0028(17)
C32 0.017(2) 0.024(2) 0.032(3) 0.000(2) 0.012(2) -0.0003(19)
C33 0.019(2) 0.029(3) 0.033(3) 0.005(3) 0.009(2) 0.006(2)
C34 0.031(3) 0.022(3) 0.034(3) -0.001(2) 0.012(3) 0.007(2)
C35 0.025(3) 0.017(2) 0.033(3) -0.002(2) 0.006(2) 0.0005(19)
C36 0.024(3) 0.018(2) 0.024(3) 0.006(2) 0.007(2) -0.002(2)
C41 0.020(2) 0.022(2) 0.021(3) 0.001(2) 0.010(2) 0.0041(19)
C42 0.026(3) 0.022(2) 0.029(3) 0.001(2) 0.014(2) -0.002(2)
C43 0.029(3) 0.037(3) 0.024(3) -0.006(3) 0.014(2) -0.006(2)
C44 0.039(4) 0.040(3) 0.023(3) 0.004(3) 0.013(3) -0.008(3)
C45 0.054(4) 0.032(3) 0.036(4) 0.011(3) 0.025(3) -0.005(3)
C46 0.044(4) 0.024(3) 0.029(3) -0.003(2) 0.013(3) -0.001(3)
C51 0.022(2) 0.018(2) 0.022(3) 0.000(2) 0.008(2) 0.0018(19)
C52 0.026(3) 0.033(3) 0.023(3) 0.000(2) 0.005(2) 0.005(2)
C53 0.033(3) 0.036(3) 0.029(3) 0.004(3) 0.008(3) 0.014(3)
C54 0.028(3) 0.034(3) 0.039(4) -0.001(3) 0.005(3) 0.012(3)
C55 0.027(3) 0.034(3) 0.045(4) -0.019(3) 0.012(3) 0.003(3)
C56 0.023(3) 0.030(3) 0.026(3) -0.006(2) 0.003(2) 0.003(2)

_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 2.011(6) . yes
Pt1 C8 2.023(6) . yes
Pt1 P1 2.2805(13) . yes
Pt1 P2 2.2894(16) . yes
P1 C21 1.818(6) . yes
P1 C31 1.828(5) . yes
P1 C15 1.835(6) . yes
P2 C41 1.802(5) . yes
P2 C51 1.820(6) . yes
P2 C16 1.849(5) . yes
N1 C5 1.334(8) . yes
N1 C6 1.342(10) . yes
N2 C13 1.330(9) . yes
N2 C12 1.341(9) . yes
C1 C2 1.182(8) . yes
C2 C3 1.446(8) . yes
C3 C4 1.392(8) . yes
C3 C7 1.408(9) . yes
C4 C5 1.379(8) . yes
C4 H4A 0.9500 . ?
C5 H5A 0.9500 . ?
C6 C7 1.369(9) . yes
C6 H6A 0.9500 . ?
C7 H7A 0.9500 . ?
C8 C9 1.193(9) . yes
C9 C10 1.445(9) . yes
C10 C14 1.387(10) . yes
C10 C11 1.412(9) . yes
C11 C12 1.383(10) . yes
C11 H11A 0.9500 . ?
C12 H12A 0.9500 . ?
C13 C14 1.389(10) . yes
C13 H13A 0.9500 . ?
C14 H14A 0.9500 . ?
C15 C16 1.525(8) . yes
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C21 C22 1.381(7) . yes
C21 C26 1.401(8) . yes
C22 C23 1.412(9) . yes
C22 H22A 0.9500 . ?
C23 C24 1.367(9) . yes
C23 H23A 0.9500 . ?
C24 C25 1.401(9) . yes
C24 H24A 0.9500 . ?
C25 C26 1.377(8) . yes
C25 H25A 0.9500 . ?
C26 H26A 0.9500 . ?
C31 C36 1.389(7) . yes
C31 C32 1.410(8) . yes
C32 C33 1.397(8) . yes
C32 H32A 0.9500 . ?
C33 C34 1.366(9) . yes
C33 H33A 0.9500 . ?
C34 C35 1.380(9) . yes
C34 H34A 0.9500 . ?
C35 C36 1.391(8) . yes
C35 H35A 0.9500 . ?
C36 H36A 0.9500 . ?
C41 C46 1.389(8) . yes
C41 C42 1.398(9) . yes
C42 C43 1.395(9) . yes
C42 H42A 0.9500 . ?
C43 C44 1.381(9) . yes
C43 H43A 0.9500 . ?
C44 C45 1.397(11) . yes
C44 H44A 0.9500 . ?
C45 C46 1.395(10) . yes
C45 H45A 0.9500 . ?
C46 H46A 0.9500 . ?
C51 C52 1.395(8) . yes
C51 C56 1.400(9) . yes
C52 C53 1.381(9) . yes
C52 H52A 0.9500 . ?
C53 C54 1.387(10) . yes
C53 H53A 0.9500 . ?
C54 C55 1.382(10) . yes
C54 H54A 0.9500 . ?
C55 C56 1.387(9) . yes
C55 H55A 0.9500 . ?
C56 H56A 0.9500 . ?

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 C8 90.2(2) . . yes
C1 Pt1 P1 174.97(17) . . yes
C8 Pt1 P1 92.61(16) . . yes
C1 Pt1 P2 92.74(17) . . yes
C8 Pt1 P2 173.57(18) . . yes
P1 Pt1 P2 84.87(5) . . yes
C21 P1 C31 103.5(3) . . yes
C21 P1 C15 107.4(3) . . yes
C31 P1 C15 103.7(2) . . yes
C21 P1 Pt1 121.23(18) . . yes
C31 P1 Pt1 111.71(19) . . yes
C15 P1 Pt1 107.89(18) . . yes
C41 P2 C51 103.6(2) . . yes
C41 P2 C16 107.7(3) . . yes
C51 P2 C16 104.8(3) . . yes
C41 P2 Pt1 119.50(18) . . yes
C51 P2 Pt1 111.97(19) . . yes
C16 P2 Pt1 108.27(19) . . yes
C5 N1 C6 116.8(6) . . yes
C13 N2 C12 115.7(6) . . yes
C2 C1 Pt1 175.2(5) . . yes
C1 C2 C3 177.1(7) . . yes
C4 C3 C7 115.9(6) . . yes
C4 C3 C2 122.7(6) . . yes
C7 C3 C2 121.4(6) . . yes
C5 C4 C3 121.0(6) . . yes
C5 C4 H4A 119.5 . . ?
C3 C4 H4A 119.5 . . ?
N1 C5 C4 122.6(6) . . yes
N1 C5 H5A 118.7 . . ?
C4 C5 H5A 118.7 . . ?
N1 C6 C7 124.5(6) . . yes
N1 C6 H6A 117.8 . . ?
C7 C6 H6A 117.8 . . ?
C6 C7 C3 119.1(6) . . yes
C6 C7 H7A 120.4 . . ?
C3 C7 H7A 120.4 . . ?
C9 C8 Pt1 168.4(6) . . yes
C8 C9 C10 169.6(6) . . yes
C14 C10 C11 116.3(6) . . yes
C14 C10 C9 121.8(6) . . yes
C11 C10 C9 121.9(6) . . yes
C12 C11 C10 119.3(6) . . yes
C12 C11 H11A 120.4 . . ?
C10 C11 H11A 120.4 . . ?
N2 C12 C11 124.3(6) . . yes
N2 C12 H12A 117.8 . . ?
C11 C12 H12A 117.8 . . ?
N2 C13 C14 124.7(6) . . yes
N2 C13 H13A 117.6 . . ?
C14 C13 H13A 117.6 . . ?
C13 C14 C10 119.6(6) . . yes
C13 C14 H14A 120.2 . . ?
C10 C14 H14A 120.2 . . ?
C16 C15 P1 109.1(4) . . yes
C16 C15 H15A 109.9 . . ?
P1 C15 H15A 109.9 . . ?
C16 C15 H15B 109.9 . . ?
P1 C15 H15B 109.9 . . ?
H15A C15 H15B 108.3 . . ?
C15 C16 P2 107.8(4) . . yes
C15 C16 H16A 110.2 . . ?
P2 C16 H16A 110.2 . . ?
C15 C16 H16B 110.2 . . ?
P2 C16 H16B 110.2 . . ?
H16A C16 H16B 108.5 . . ?
C22 C21 C26 119.5(5) . . yes
C22 C21 P1 122.7(4) . . yes
C26 C21 P1 117.8(4) . . yes
C21 C22 C23 119.5(6) . . yes
C21 C22 H22A 120.2 . . ?
C23 C22 H22A 120.2 . . ?
C24 C23 C22 120.3(6) . . yes
C24 C23 H23A 119.8 . . ?
C22 C23 H23A 119.8 . . ?
C23 C24 C25 120.3(6) . . yes
C23 C24 H24A 119.9 . . ?
C25 C24 H24A 119.9 . . ?
C26 C25 C24 119.5(6) . . yes
C26 C25 H25A 120.3 . . ?
C24 C25 H25A 120.3 . . ?
C25 C26 C21 120.8(5) . . yes
C25 C26 H26A 119.6 . . ?
C21 C26 H26A 119.6 . . ?
C36 C31 C32 120.3(5) . . yes
C36 C31 P1 119.5(4) . . yes
C32 C31 P1 120.2(4) . . yes
C33 C32 C31 119.2(5) . . yes
C33 C32 H32A 120.4 . . ?
C31 C32 H32A 120.4 . . ?
C34 C33 C32 120.1(6) . . yes
C34 C33 H33A 120.0 . . ?
C32 C33 H33A 120.0 . . ?
C33 C34 C35 120.8(5) . . yes
C33 C34 H34A 119.6 . . ?
C35 C34 H34A 119.6 . . ?
C34 C35 C36 120.7(5) . . yes
C34 C35 H35A 119.7 . . ?
C36 C35 H35A 119.7 . . ?
C31 C36 C35 119.0(5) . . yes
C31 C36 H36A 120.5 . . ?
C35 C36 H36A 120.5 . . ?
C46 C41 C42 119.6(5) . . yes
C46 C41 P2 118.4(4) . . yes
C42 C41 P2 121.7(4) . . yes
C43 C42 C41 119.6(6) . . yes
C43 C42 H42A 120.2 . . ?
C41 C42 H42A 120.2 . . ?
C44 C43 C42 120.2(6) . . yes
C44 C43 H43A 119.9 . . ?
C42 C43 H43A 119.9 . . ?
C43 C44 C45 120.9(6) . . yes
C43 C44 H44A 119.6 . . ?
C45 C44 H44A 119.6 . . ?
C46 C45 C44 118.7(6) . . yes
C46 C45 H45A 120.7 . . ?
C44 C45 H45A 120.7 . . ?
C41 C46 C45 121.0(6) . . yes
C41 C46 H46A 119.5 . . ?
C45 C46 H46A 119.5 . . ?
C52 C51 C56 119.5(5) . . yes
C52 C51 P2 121.5(4) . . yes
C56 C51 P2 119.0(4) . . yes
C53 C52 C51 119.8(6) . . yes
C53 C52 H52A 120.1 . . ?
C51 C52 H52A 120.1 . . ?
C52 C53 C54 120.4(6) . . yes
C52 C53 H53A 119.8 . . ?
C54 C53 H53A 119.8 . . ?
C55 C54 C53 120.3(6) . . yes
C55 C54 H54A 119.8 . . ?
C53 C54 H54A 119.8 . . ?
C54 C55 C56 119.7(7) . . yes
C54 C55 H55A 120.1 . . ?
C56 C55 H55A 120.1 . . ?
C55 C56 C51 120.2(6) . . yes
C55 C56 H56A 119.9 . . ?
C51 C56 H56A 119.9 . . ?

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        30.00
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         1.488
_refine_diff_density_min         -1.541
_refine_diff_density_rms         0.127

# File processed with modiCIFer Dec. 16,2005. I.A.Guzei, UW-Madison.