#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/13/7011390.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7011390
loop_
_publ_author_name
'Bowmaker, Graham A.'
'Boyd, Sue E.'
'Hanna, John V.'
'Hart, Robert D.'
'Healy, Peter C.'
'Skelton, Brian W.'
'White, Allan H.'
_publ_section_title
;
 Structural and spectroscopic studies on three-coordinate complexes of
 copper(i) halides with tricyclohexylphosphine
;
_journal_issue                   13
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2722
_journal_paper_doi               10.1039/b111121n
_journal_year                    2002
_chemical_formula_sum            'C36 H66 Cl Cu P2'
_chemical_formula_weight         659.87
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 96.32(8)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   18.001(19)
_cell_length_b                   9.113(2)
_cell_length_c                   22.230(11)
_cell_measurement_reflns_used    6
_cell_measurement_temperature    293
_cell_measurement_theta_max      18.5
_cell_measurement_theta_min      14.9
_cell_volume                     3625(4)
_computing_cell_refinement       'Enraf Nonius software'
_computing_data_collection       'Enraf Nonius software'
_computing_data_reduction        'xtal ADDREF'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type
;
CAD4 diffractometer
;
_diffrn_measurement_method       '2θ-ω scans'
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            3173
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         1.84
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         6
_exptl_absorpt_coefficient_mu    .787
_exptl_absorpt_correction_T_max  .91
_exptl_absorpt_correction_T_min  .77
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
XTAL absorb             
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.209
_exptl_crystal_description       plate
_exptl_crystal_F_000             1432
_exptl_crystal_size_max          .5
_exptl_crystal_size_mid          .35
_exptl_crystal_size_min          .13
_refine_diff_density_max         .525
_refine_diff_density_min         -.909
_refine_ls_goodness_of_fit_all   1.791
_refine_ls_goodness_of_fit_ref   2.075
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     182
_refine_ls_number_reflns         1983
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .096
_refine_ls_R_factor_gt           .059
_refine_ls_shift/su_max          .002
_refine_ls_shift/su_mean         .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         .067
_refine_ls_wR_factor_ref         .061
_reflns_d_resolution_high        .842
_reflns_d_resolution_low         11.047
_reflns_limit_h_max              21
_reflns_limit_h_min              0
_reflns_limit_k_max              10
_reflns_limit_k_min              0
_reflns_limit_l_max              26
_reflns_limit_l_min              -26
_reflns_number_gt                1984
_reflns_number_total             3173
_reflns_threshold_expression     'I    > 3.00 sig(I   )'
_cod_data_source_file            b111121n.txt
_cod_data_source_block           acuclpcy2
_cod_original_sg_symbol_Hall     -c_2yc
_cod_original_sg_symbol_H-M      C_1_2/c_1
_cod_original_formula_sum        'C36 H66 Cl1 Cu1 P2'
_cod_database_code               7011390
loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+z
-x,+y,1/2-z
-x,-y,-z
+x,-y,1/2+z
1/2+x,1/2+y,+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2-y,-z
1/2+x,1/2-y,1/2+z
loop_
_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_calc_attached_atom
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu .00000 .18605(12) .25000 .0416(6) Uani ? ? 1.00000 ? ?
Cl .00000 -.0600(3) .25000 .090(2) Uani ? ? 1.00000 ? ?
P .06002(8) .28207(18) .33570(6) .0395(9) Uani ? ? 1.00000 ? ?
C11 .0050(3) .4108(6) .3775(2) .041(3) Uani ? ? 1.00000 ? ?
C12 -.0123(3) .5554(7) .3440(3) .055(4) Uani ? ? 1.00000 ? ?
C13 -.0573(4) .6586(8) .3792(3) .068(5) Uani ? ? 1.00000 ? ?
C14 -.1286(4) .5880(8) .3958(3) .066(5) Uani ? ? 1.00000 ? ?
C15 -.1120(4) .4433(8) .4289(3) .070(5) Uani ? ? 1.00000 ? ?
C16 -.0668(4) .3405(7) .3934(3) .058(4) Uani ? ? 1.00000 ? ?
C21 .0861(3) .1347(7) .3918(2) .049(4) Uani ? ? 1.00000 ? ?
C22 .1063(4) .1769(8) .4584(3) .067(4) Uani ? ? 1.00000 ? ?
C23 .1148(5) .0372(10) .4976(3) .090(6) Uani ? ? 1.00000 ? ?
C24 .1682(4) -.0705(9) .4769(3) .080(5) Uani ? ? 1.00000 ? ?
C25 .1493(4) -.1086(8) .4116(3) .080(5) Uani ? ? 1.00000 ? ?
C26 .1426(4) .0289(8) .3717(3) .069(5) Uani ? ? 1.00000 ? ?
C31 .1430(3) .3895(6) .3219(2) .043(3) Uani ? ? 1.00000 ? ?
C32 .1933(4) .3120(7) .2812(3) .059(4) Uani ? ? 1.00000 ? ?
C33 .2556(4) .4077(8) .2627(3) .072(5) Uani ? ? 1.00000 ? ?
C34 .3007(4) .4740(8) .3169(3) .069(5) Uani ? ? 1.00000 ? ?
C35 .2514(4) .5575(8) .3557(3) .066(4) Uani ? ? 1.00000 ? ?
C36 .1911(3) .4599(7) .3764(3) .054(4) Uani ? ? 1.00000 ? ?
H11 .03635 .44119 .41445 .04830 Uiso ? ? 1.00000 ? ?
H12a .03229 .59970 .33163 .07010 Uiso ? ? 1.00000 ? ?
H12b -.04231 .52944 .30770 .07010 Uiso ? ? 1.00000 ? ?
H13a -.02742 .68258 .41768 .08270 Uiso ? ? 1.00000 ? ?
H13b -.06386 .75152 .35921 .08270 Uiso ? ? 1.00000 ? ?
H14a -.16070 .65030 .41595 .08220 Uiso ? ? 1.00000 ? ?
H14b -.15789 .56223 .35642 .08220 Uiso ? ? 1.00000 ? ?
H15a -.08251 .46628 .46654 .08420 Uiso ? ? 1.00000 ? ?
H15b -.15638 .39525 .44135 .08420 Uiso ? ? 1.00000 ? ?
H16a -.05812 .24866 .41359 .07150 Uiso ? ? 1.00000 ? ?
H16b -.09582 .31763 .35561 .07150 Uiso ? ? 1.00000 ? ?
H21 .03990 .07507 .39205 .05950 Uiso ? ? 1.00000 ? ?
H22a .15144 .23162 .46102 .08230 Uiso ? ? 1.00000 ? ?
H22b .06744 .24099 .47242 .08230 Uiso ? ? 1.00000 ? ?
H23a .12465 .06017 .53792 .10980 Uiso ? ? 1.00000 ? ?
H23b .06549 -.01407 .49418 .10980 Uiso ? ? 1.00000 ? ?
H24a .21665 -.02230 .48183 .09850 Uiso ? ? 1.00000 ? ?
H24b .16904 -.15410 .50108 .09850 Uiso ? ? 1.00000 ? ?
H25a .19014 -.16538 .39853 .09580 Uiso ? ? 1.00000 ? ?
H25b .10574 -.15827 .40866 .09580 Uiso ? ? 1.00000 ? ?
H26a .18991 .08302 .37465 .08260 Uiso ? ? 1.00000 ? ?
H26b .13220 .00233 .33170 .08260 Uiso ? ? 1.00000 ? ?
H31 .12382 .48466 .30476 .05180 Uiso ? ? 1.00000 ? ?
H32a .21372 .21728 .30180 .07560 Uiso ? ? 1.00000 ? ?
H32b .16504 .26655 .24533 .07560 Uiso ? ? 1.00000 ? ?
H33a .29172 .36130 .23702 .09160 Uiso ? ? 1.00000 ? ?
H33b .23744 .49275 .24070 .09160 Uiso ? ? 1.00000 ? ?
H34a .31953 .38357 .33903 .08300 Uiso ? ? 1.00000 ? ?
H34b .34256 .52146 .30376 .08300 Uiso ? ? 1.00000 ? ?
H35a .27624 .60931 .38784 .07830 Uiso ? ? 1.00000 ? ?
H35b .22481 .63969 .33055 .07830 Uiso ? ? 1.00000 ? ?
H36a .21456 .37488 .39796 .06580 Uiso ? ? 1.00000 ? ?
H36b .15855 .50251 .40423 .06580 Uiso ? ? 1.00000 ? ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C ? 0 144 .002014 .002014 'Int Tables Vol IV Tables 2.2B and 2.3.1'
Cl ? 0 4 .132019 .158997 'Int Tables Vol IV Tables 2.2B and 2.3.1'
Cu ? 0 4 .263001 1.266 'Int Tables Vol IV Tables 2.2B and 2.3.1'
P ? 0 8 .090027 .094971 'Int Tables Vol IV Tables 2.2B and 2.3.1'
H ? 0 264 0 0 'Int Tables Vol IV Tables 2.2B and 2.3.1'
loop_
_diffrn_attenuator_code
_diffrn_attenuator_scale
1 19.14
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
16 0 0
-16 0 0
0 8 0
0 -8 0
0 0 16
0 0 -16
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_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Cl Cu P . . . 112.77(5) ?
Cl Cu P . . 2 112.77(5) ?
P Cu P . . 2 134.45(8) ?
Cu P C11 . . . 115.88(18) ?
Cu P C21 . . . 110.4(2) ?
Cu P C31 . . . 112.79(19) ?
C11 P C21 . . . 103.3(3) ?
C11 P C31 . . . 103.6(3) ?
C21 P C31 . . . 110.3(3) ?
P C11 C12 . . . 113.1(4) ?
P C11 C16 . . . 111.4(4) ?
P C11 H11 . . . 108.0 ?
C12 C11 C16 . . . 110.1(5) ?
C12 C11 H11 . . . 103.4 ?
C16 C11 H11 . . . 110.5 ?
C11 C12 C13 . . . 112.0(5) ?
C11 C12 H12a . . . 111.6 ?
C11 C12 H12b . . . 105.4 ?
C13 C12 H12a . . . 113.3 ?
C13 C12 H12b . . . 107.8 ?
H12a C12 H12b . . . 106.0 ?
C12 C13 C14 . . . 112.2(6) ?
C12 C13 H13a . . . 108.3 ?
C12 C13 H13b . . . 110.8 ?
C14 C13 H13a . . . 106.2 ?
C14 C13 H13b . . . 115.1 ?
H13a C13 H13b . . . 103.5 ?
C13 C14 C15 . . . 111.0(6) ?
C13 C14 H14a . . . 115.7 ?
C13 C14 H14b . . . 105.4 ?
C15 C14 H14a . . . 112.6 ?
C15 C14 H14b . . . 106.1 ?
H14a C14 H14b . . . 105.2 ?
C14 C15 C16 . . . 111.7(6) ?
C14 C15 H15a . . . 106.9 ?
C14 C15 H15b . . . 113.6 ?
C16 C15 H15a . . . 108.1 ?
C16 C15 H15b . . . 111.9 ?
H15a C15 H15b . . . 104.0 ?
C11 C16 C15 . . . 112.3(5) ?
C11 C16 H16a . . . 112.4 ?
C11 C16 H16b . . . 106.5 ?
C15 C16 H16a . . . 111.4 ?
C15 C16 H16b . . . 108.5 ?
H16a C16 H16b . . . 105.4 ?
P C21 C22 . . . 118.9(4) ?
P C21 C26 . . . 113.2(4) ?
P C21 H21 . . . 104.5 ?
C22 C21 C26 . . . 110.5(5) ?
C22 C21 H21 . . . 103.9 ?
C26 C21 H21 . . . 104.1 ?
C21 C22 C23 . . . 109.7(6) ?
C21 C22 H22a . . . 107.5 ?
C21 C22 H22b . . . 110.5 ?
C23 C22 H22a . . . 111.7 ?
C23 C22 H22b . . . 109.9 ?
H22a C22 H22b . . . 107.5 ?
C22 C23 C24 . . . 113.5(6) ?
C22 C23 H23a . . . 111.1 ?
C22 C23 H23b . . . 108.2 ?
C24 C23 H23a . . . 113.0 ?
C24 C23 H23b . . . 105.6 ?
H23a C23 H23b . . . 104.8 ?
C23 C24 C25 . . . 111.6(6) ?
C23 C24 H24a . . . 105.7 ?
C23 C24 H24b . . . 109.4 ?
C25 C24 H24a . . . 108.6 ?
C25 C24 H24b . . . 110.9 ?
H24a C24 H24b . . . 110.4 ?
C24 C25 C26 . . . 111.6(6) ?
C24 C25 H25a . . . 108.4 ?
C24 C25 H25b . . . 106.8 ?
C26 C25 H25a . . . 106.2 ?
C26 C25 H25b . . . 110.9 ?
H25a C25 H25b . . . 113.1 ?
C21 C26 C25 . . . 111.4(6) ?
C21 C26 H26a . . . 105.5 ?
C21 C26 H26b . . . 112.5 ?
C25 C26 H26a . . . 111.1 ?
C25 C26 H26b . . . 109.8 ?
H26a C26 H26b . . . 106.3 ?
P C31 C32 . . . 113.5(4) ?
P C31 C36 . . . 119.0(4) ?
P C31 H31 . . . 105.9 ?
C32 C31 C36 . . . 109.8(5) ?
C32 C31 H31 . . . 112.3 ?
C36 C31 H31 . . . 94.6 ?
C31 C32 C33 . . . 113.6(6) ?
C31 C32 H32a . . . 109.3 ?
C31 C32 H32b . . . 112.7 ?
C33 C32 H32a . . . 111.6 ?
C33 C32 H32b . . . 110.8 ?
H32a C32 H32b . . . 97.8 ?
C32 C33 C34 . . . 111.4(6) ?
C32 C33 H33a . . . 117.2 ?
C32 C33 H33b . . . 112.7 ?
C34 C33 H33a . . . 107.3 ?
C34 C33 H33b . . . 102.1 ?
H33a C33 H33b . . . 104.9 ?
C33 C34 C35 . . . 111.1(6) ?
C33 C34 H34a . . . 100.8 ?
C33 C34 H34b . . . 108.4 ?
C35 C34 H34a . . . 108.9 ?
C35 C34 H34b . . . 119.1 ?
H34a C34 H34b . . . 107.0 ?
C34 C35 C36 . . . 111.3(6) ?
C34 C35 H35a . . . 115.5 ?
C34 C35 H35b . . . 109.1 ?
C36 C35 H35a . . . 111.5 ?
C36 C35 H35b . . . 106.8 ?
H35a C35 H35b . . . 101.8 ?
C31 C36 C35 . . . 111.4(5) ?
C31 C36 H36a . . . 103.3 ?
C31 C36 H36b . . . 109.7 ?
C35 C36 H36a . . . 109.1 ?
C35 C36 H36b . . . 117.3 ?
H36a C36 H36b . . . 105.0 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cu Cl . . 2.242(3) ?
Cu P . . 2.2604(17) ?
Cu P . 2 2.2604(17) ?
P C11 . . 1.850(6) ?
P C21 . . 1.857(6) ?
P C31 . . 1.839(6) ?
C11 C12 . . 1.529(9) ?
C11 C16 . . 1.518(9) ?
C11 H11 . . .983 ?
C12 C13 . . 1.514(10) ?
C12 H12a . . .965 ?
C12 H12b . . .950 ?
C13 C14 . . 1.517(10) ?
C13 H13a . . .985 ?
C13 H13b . . .957 ?
C14 C15 . . 1.524(10) ?
C14 H14a . . .956 ?
C14 H14b . . .998 ?
C15 C16 . . 1.518(10) ?
C15 H15a . . .963 ?
C15 H15b . . .978 ?
C16 H16a . . .954 ?
C16 H16b . . .962 ?
C21 C22 . . 1.536(8) ?
C21 C26 . . 1.505(10) ?
C21 H21 . . .994 ?
C22 C23 . . 1.540(11) ?
C22 H22a . . .950 ?
C22 H22b . . .988 ?
C23 C24 . . 1.482(12) ?
C23 H23a . . .919 ?
C23 H23b . . .998 ?
C24 C25 . . 1.497(10) ?
C24 H24a . . .971 ?
C24 H24b . . .931 ?
C25 C26 . . 1.532(10) ?
C25 H25a . . .969 ?
C25 H25b . . .902 ?
C26 H26a . . .980 ?
C26 H26b . . .920 ?
C31 C32 . . 1.524(9) ?
C31 C36 . . 1.547(8) ?
C31 H31 . . .994 ?
C32 C33 . . 1.512(10) ?
C32 H32a . . 1.026 ?
C32 H32b . . .988 ?
C33 C34 . . 1.504(10) ?
C33 H33a . . 1.005 ?
C33 H33b . . .955 ?
C34 C35 . . 1.510(10) ?
C34 H34a . . .999 ?
C34 H34b . . .942 ?
C35 C36 . . 1.513(10) ?
C35 H35a . . .930 ?
C35 H35b . . 1.021 ?
C36 H36a . . .982 ?
C36 H36b . . .978 ?
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
Cu C11 3.490(6) . 2 ?
Cu C11 3.490(6) . . ?
Cu C21 3.388(6) . . ?
Cu C21 3.388(6) . 2 ?
Cu C31 3.423(6) . . ?
Cu C31 3.423(6) . 2 ?
Cl P 3.750(3) . 2 ?
Cl P 3.750(3) . . ?
Cl C21 3.796(6) . 2 ?
Cl C21 3.796(6) . . ?
Cl C26 3.610(7) . . ?
Cl C26 3.610(7) . 2 ?
Cl H26b 2.887 . 2 ?
Cl H26b 2.887 . . ?
P C12 2.826(7) . . ?
P C16 2.789(7) . . ?
P C22 2.925(6) . . ?
P C26 2.813(7) . . ?
P C32 2.819(7) . . ?
P C36 2.922(7) . . ?
P H11 2.3480 . . ?
P H21 2.3148 . . ?
P H31 2.3183 . . ?
C11 C13 2.524(9) . . ?
C11 C14 2.962(9) . . ?
C11 C15 2.521(9) . . ?
C11 C21 2.908(8) . . ?
C11 C31 2.900(9) . . ?
C11 H12a 2.087 . . ?
C11 H12b 2.003 . . ?
C11 H16a 2.078 . . ?
C11 H16b 2.014 . . ?
C12 C14 2.516(10) . . ?
C12 C15 2.929(10) . . ?
C12 C16 2.498(9) . . ?
C12 H11 2.001 . . ?
C12 H13a 2.050 . . ?
C12 H13b 2.059 . . ?
C13 C15 2.506(10) . . ?
C13 C16 2.923(9) . . ?
C13 H12a 2.093 . . ?
C13 H12b 2.019 . . ?
C13 H14b 2.025 . . ?
C14 C16 2.518(10) . . ?
C14 H13a 2.025 . . ?
C14 H15a 2.026 . . ?
C15 H14a 2.087 . . ?
C15 H14b 2.040 . . ?
C15 H16a 2.067 . . ?
C15 H16b 2.039 . . ?
C16 H11 2.077 . . ?
C16 H15a 2.034 . . ?
C16 H15b 2.090 . . ?
C21 C23 2.515(9) . . ?
C21 C24 2.942(9) . . ?
C21 C25 2.509(10) . . ?
C21 H22a 2.034 . . ?
C21 H22b 2.097 . . ?
C21 H26a 2.004 . . ?
C21 H26b 2.043 . . ?
C22 C24 2.528(10) . . ?
C22 C25 2.938(10) . . ?
C22 C26 2.499(9) . . ?
C22 H21 2.020 . . ?
C22 H23a 2.058 . . ?
C22 H23b 2.080 . . ?
C23 C25 2.464(11) . . ?
C23 C26 2.898(10) . . ?
C23 H22a 2.087 . . ?
C23 H22b 2.094 . . ?
C23 H24a 1.981 . . ?
C23 H24b 1.996 . . ?
C24 C26 2.504(9) . . ?
C24 H23a 2.026 . . ?
C24 H23b 1.997 . . ?
C24 H25a 2.023 . . ?
C24 H25b 1.958 . . ?
C25 H24a 2.027 . . ?
C25 H24b 2.025 . . ?
C25 H26a 2.095 . . ?
C25 H26b 2.037 . . ?
C26 H21 1.996 . . ?
C26 H25a 2.027 . . ?
C26 H25b 2.036 . . ?
C31 C33 2.541(10) . . ?
C31 C34 2.956(9) . . ?
C31 C35 2.528(9) . . ?
C31 H36a 2.014 . . ?
C31 H36b 2.091 . . ?
C32 C34 2.492(10) . . ?
C32 C35 2.908(9) . . ?
C32 C36 2.513(9) . . ?
C32 H33b 2.076 . . ?
C33 C35 2.485(10) . . ?
C33 C36 2.933(10) . . ?
C33 H32b 2.079 . . ?
C33 H34a 1.955 . . ?
C33 H34b 2.011 . . ?
C34 C36 2.497(10) . . ?
C34 H33a 2.042 . . ?
C34 H33b 1.943 . . ?
C34 H35a 2.087 . . ?
C34 H35b 2.081 . . ?
C35 H34a 2.063 . . ?
C35 H36a 2.056 . . ?
C36 H31 1.904 . . ?
C36 H35a 2.046 . . ?
C36 H35b 2.056 . . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
? ? ? ? ? ? ? ? ? ? ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
? ? ? ? ? ? ? ? ? ?
