# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_MR161-sr
_database_code_depnum_ccdc_archive 'CCDC 1438074'
_audit_update_record             
;
2015-11-20 deposited with the CCDC.
2016-04-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C29 H21 P Se'
_chemical_formula_weight         479.39

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.4639(2)
_cell_length_b                   10.1522(2)
_cell_length_c                   14.1214(3)
_cell_angle_alpha                77.6074(8)
_cell_angle_beta                 86.1247(9)
_cell_angle_gamma                71.6074(7)
_cell_volume                     1257.47(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9470
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      26.30
_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.266
_exptl_crystal_F_000             488
_exptl_transmission_factor_min   0.6801
_exptl_transmission_factor_max   0.8013
_exptl_crystal_size_max          0.290
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    1.569
_shelx_estimated_absorpt_T_min   0.659
_shelx_estimated_absorpt_T_max   0.898
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'D8 Venture, Bruker Photon CMOS Detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            23201
_diffrn_reflns_av_unetI/netI     0.0431
_diffrn_reflns_av_R_equivalents  0.0543
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.268
_diffrn_reflns_theta_max         26.429
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             5154
_reflns_number_gt                4381
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.500 0.500 200 47 ' '
_platon_squeeze_details          
;
The general procedure (based on a preliminary implementation of the technique)
has been described in more detail in: Acta Cryst. (1990), A46, 194 as the 
'BYPASS procedure' P. v.d. Sluis & A.L. Spek) 
;


_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Diamond 2.1e'
_computing_publication_material  'Microsoft Word'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0370P)²+0.3556P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5154
_refine_ls_number_parameters     280
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0430
_refine_ls_R_factor_gt           0.0332
_refine_ls_wR_factor_ref         0.0763
_refine_ls_wR_factor_gt          0.0728
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.001
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.5116(2) 0.5737(2) 0.22899(15) 0.0099(4) Uani 1 1 d . . . . .
C2 C 0.5759(2) 0.6235(2) 0.30411(15) 0.0125(4) Uani 1 1 d . . . . .
H2 H 0.5235 0.7222 0.3132 0.015 Uiso 1 1 calc R U . . .
C3 C 0.6218(2) 0.5139(2) 0.39351(16) 0.0129(4) Uani 1 1 d . . . . .
H3 H 0.6569 0.5341 0.4486 0.015 Uiso 1 1 calc R U . . .
C4 C 0.6121(2) 0.3849(2) 0.39381(15) 0.0112(4) Uani 1 1 d . . . . .
C5 C 0.6619(2) 0.2549(2) 0.46974(15) 0.0116(4) Uani 1 1 d . . . . .
C005 C 0.6579(2) 0.6093(2) 0.20550(15) 0.0110(4) Uani 1 1 d . . . . .
C6 C 0.5646(2) 0.1774(2) 0.50464(16) 0.0151(5) Uani 1 1 d . . . . .
H6 H 0.4658 0.2094 0.4802 0.018 Uiso 1 1 calc R U . . .
C7 C 0.6109(3) 0.0536(2) 0.57498(17) 0.0214(5) Uani 1 1 d . . . . .
H7 H 0.5431 0.0026 0.5995 0.026 Uiso 1 1 calc R U . . .
C8 C 0.7557(3) 0.0046(2) 0.60925(17) 0.0235(6) Uani 1 1 d . . . . .
H8 H 0.7879 -0.0808 0.6565 0.028 Uiso 1 1 calc R U . . .
C9 C 0.8538(3) 0.0806(3) 0.57437(18) 0.0245(6) Uani 1 1 d . . . . .
H9 H 0.9532 0.0470 0.5979 0.029 Uiso 1 1 calc R U . . .
C10 C 0.8077(3) 0.2055(3) 0.50533(17) 0.0197(5) Uani 1 1 d . . . . .
H10 H 0.8751 0.2575 0.4822 0.024 Uiso 1 1 calc R U . . .
C11 C 0.3670(2) 0.6502(2) 0.17817(16) 0.0110(4) Uani 1 1 d . . . . .
C12 C 0.2512(2) 0.7427(2) 0.22049(17) 0.0159(5) Uani 1 1 d . . . . .
H12 H 0.2654 0.7620 0.2815 0.019 Uiso 1 1 calc R U . . .
C13 C 0.1145(2) 0.8067(2) 0.17323(18) 0.0202(5) Uani 1 1 d . . . . .
H13 H 0.0365 0.8707 0.2020 0.024 Uiso 1 1 calc R U . . .
C14 C 0.0906(2) 0.7787(2) 0.08534(18) 0.0197(5) Uani 1 1 d . . . . .
H14 H -0.0031 0.8228 0.0539 0.024 Uiso 1 1 calc R U . . .
C15 C 0.2047(2) 0.6858(2) 0.04345(17) 0.0182(5) Uani 1 1 d . . . . .
H15 H 0.1893 0.6655 -0.0170 0.022 Uiso 1 1 calc R U . . .
C16 C 0.3418(2) 0.6220(2) 0.08973(16) 0.0152(5) Uani 1 1 d . . . . .
H16 H 0.4195 0.5583 0.0605 0.018 Uiso 1 1 calc R U . . .
C17 C 0.6623(2) 0.7419(2) 0.13564(15) 0.0109(4) Uani 1 1 d . . . . .
C18 C 0.6718(2) 0.8602(2) 0.16673(17) 0.0136(5) Uani 1 1 d . . . . .
H18 H 0.6701 0.8597 0.2341 0.016 Uiso 1 1 calc R U . . .
C19 C 0.6837(2) 0.9789(2) 0.10006(17) 0.0150(5) Uani 1 1 d . . . . .
H19 H 0.6903 1.0587 0.1222 0.018 Uiso 1 1 calc R U . . .
C20 C 0.6859(2) 0.9813(2) 0.00205(16) 0.0138(5) Uani 1 1 d . . . . .
H20 H 0.6950 1.0622 -0.0433 0.017 Uiso 1 1 calc R U . . .
C21 C 0.6748(2) 0.8645(2) -0.03018(16) 0.0136(5) Uani 1 1 d . . . . .
H21 H 0.6747 0.8661 -0.0977 0.016 Uiso 1 1 calc R U . . .
C22 C 0.6641(2) 0.7458(2) 0.03635(16) 0.0126(4) Uani 1 1 d . . . . .
H22 H 0.6578 0.6661 0.0139 0.015 Uiso 1 1 calc R U . . .
C23 C 0.7532(2) 0.3490(2) 0.22409(15) 0.0106(4) Uani 1 1 d . . . . .
C24 C 0.7852(2) 0.4779(2) 0.19903(15) 0.0109(4) Uani 1 1 d . . . . .
C25 C 0.9283(2) 0.4767(2) 0.16774(16) 0.0141(5) Uani 1 1 d . . . . .
H25 H 0.9527 0.5627 0.1510 0.017 Uiso 1 1 calc R U . . .
C26 C 1.0347(2) 0.3492(2) 0.16127(16) 0.0161(5) Uani 1 1 d . . . . .
H26 H 1.1319 0.3487 0.1391 0.019 Uiso 1 1 calc R U . . .
C27 C 1.0022(2) 0.2212(2) 0.18664(16) 0.0156(5) Uani 1 1 d . . . . .
H27 H 1.0766 0.1348 0.1813 0.019 Uiso 1 1 calc R U . . .
C28 C 0.8607(2) 0.2204(2) 0.21969(15) 0.0131(5) Uani 1 1 d . . . . .
H28 H 0.8379 0.1337 0.2389 0.016 Uiso 1 1 calc R U . . .
P1 P 0.56694(6) 0.37984(5) 0.27196(4) 0.00917(12) Uani 1 1 d . . . . .
Se1 Se 0.43960(2) 0.25745(2) 0.24592(2) 0.01536(8) Uani 1 1 d . . . . .


_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
C1 C11 1.488(3) . ?
C1 C2 1.505(3) . ?
C1 C005 1.536(3) . ?
C1 P1 1.842(2) . ?
C2 C3 1.479(3) . ?
C2 C005 1.559(3) . ?
C2 H2 1.0000 . ?
C3 C4 1.341(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.477(3) . ?
C4 P1 1.816(2) . ?
C5 C6 1.393(3) . ?
C5 C10 1.398(3) . ?
C005 C17 1.499(3) . ?
C005 C24 1.504(3) . ?
C6 C7 1.391(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.384(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.389(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.388(3) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C16 1.391(3) . ?
C11 C12 1.394(3) . ?
C12 C13 1.393(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.379(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.385(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.390(3) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C22 1.393(3) . ?
C17 C18 1.394(3) . ?
C18 C19 1.391(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.378(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.393(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.387(3) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C28 1.390(3) . ?
C23 C24 1.403(3) . ?
C23 P1 1.801(2) . ?
C24 C25 1.393(3) . ?
C25 C26 1.383(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.397(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.390(3) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
P1 Se1 2.0814(6) . ?

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
C11 C1 C2 125.44(18) . . ?
C11 C1 C005 125.87(18) . . ?
C2 C1 C005 61.70(14) . . ?
C11 C1 P1 120.25(15) . . ?
C2 C1 P1 103.51(14) . . ?
C005 C1 P1 105.49(13) . . ?
C3 C2 C1 112.81(18) . . ?
C3 C2 C005 122.33(18) . . ?
C1 C2 C005 60.14(13) . . ?
C3 C2 H2 116.3 . . ?
C1 C2 H2 116.3 . . ?
C005 C2 H2 116.3 . . ?
C4 C3 C2 117.4(2) . . ?
C4 C3 H3 121.3 . . ?
C2 C3 H3 121.3 . . ?
C3 C4 C5 128.1(2) . . ?
C3 C4 P1 108.48(16) . . ?
C5 C4 P1 121.95(15) . . ?
C6 C5 C10 119.1(2) . . ?
C6 C5 C4 119.95(19) . . ?
C10 C5 C4 120.9(2) . . ?
C17 C005 C24 115.91(17) . . ?
C17 C005 C1 121.38(17) . . ?
C24 C005 C1 110.90(17) . . ?
C17 C005 C2 118.39(17) . . ?
C24 C005 C2 119.56(17) . . ?
C1 C005 C2 58.16(13) . . ?
C7 C6 C5 120.5(2) . . ?
C7 C6 H6 119.7 . . ?
C5 C6 H6 119.7 . . ?
C8 C7 C6 120.0(2) . . ?
C8 C7 H7 120.0 . . ?
C6 C7 H7 120.0 . . ?
C7 C8 C9 119.8(2) . . ?
C7 C8 H8 120.1 . . ?
C9 C8 H8 120.1 . . ?
C10 C9 C8 120.4(2) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C9 C10 C5 120.1(2) . . ?
C9 C10 H10 120.0 . . ?
C5 C10 H10 120.0 . . ?
C16 C11 C12 118.7(2) . . ?
C16 C11 C1 119.77(19) . . ?
C12 C11 C1 121.4(2) . . ?
C13 C12 C11 119.9(2) . . ?
C13 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C14 C13 C12 121.1(2) . . ?
C14 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
C13 C14 C15 119.3(2) . . ?
C13 C14 H14 120.3 . . ?
C15 C14 H14 120.3 . . ?
C14 C15 C16 120.0(2) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C15 C16 C11 121.0(2) . . ?
C15 C16 H16 119.5 . . ?
C11 C16 H16 119.5 . . ?
C22 C17 C18 118.42(19) . . ?
C22 C17 C005 119.44(19) . . ?
C18 C17 C005 122.07(19) . . ?
C19 C18 C17 120.7(2) . . ?
C19 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C20 C19 C18 120.4(2) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C19 C20 C21 119.6(2) . . ?
C19 C20 H20 120.2 . . ?
C21 C20 H20 120.2 . . ?
C22 C21 C20 119.9(2) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C22 C17 121.0(2) . . ?
C21 C22 H22 119.5 . . ?
C17 C22 H22 119.5 . . ?
C28 C23 C24 121.78(19) . . ?
C28 C23 P1 128.47(16) . . ?
C24 C23 P1 109.42(15) . . ?
C25 C24 C23 118.91(19) . . ?
C25 C24 C005 124.84(19) . . ?
C23 C24 C005 116.22(18) . . ?
C26 C25 C24 119.4(2) . . ?
C26 C25 H25 120.3 . . ?
C24 C25 H25 120.3 . . ?
C25 C26 C27 121.3(2) . . ?
C25 C26 H26 119.3 . . ?
C27 C26 H26 119.3 . . ?
C28 C27 C26 119.9(2) . . ?
C28 C27 H27 120.1 . . ?
C26 C27 H27 120.1 . . ?
C27 C28 C23 118.6(2) . . ?
C27 C28 H28 120.7 . . ?
C23 C28 H28 120.7 . . ?
C23 P1 C4 96.64(9) . . ?
C23 P1 C1 94.77(9) . . ?
C4 P1 C1 94.60(10) . . ?
C23 P1 Se1 119.43(7) . . ?
C4 P1 Se1 122.16(7) . . ?
C1 P1 Se1 122.58(7) . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C11 C1 C2 C3 129.0(2) . . . . ?
C005 C1 C2 C3 -115.3(2) . . . . ?
P1 C1 C2 C3 -14.8(2) . . . . ?
C11 C1 C2 C005 -115.7(2) . . . . ?
P1 C1 C2 C005 100.52(14) . . . . ?
C1 C2 C3 C4 5.0(3) . . . . ?
C005 C2 C3 C4 -63.1(3) . . . . ?
C2 C3 C4 C5 174.4(2) . . . . ?
C2 C3 C4 P1 8.1(2) . . . . ?
C3 C4 C5 C6 129.1(2) . . . . ?
P1 C4 C5 C6 -66.1(2) . . . . ?
C3 C4 C5 C10 -52.9(3) . . . . ?
P1 C4 C5 C10 111.8(2) . . . . ?
C11 C1 C005 C17 9.0(3) . . . . ?
C2 C1 C005 C17 -106.1(2) . . . . ?
P1 C1 C005 C17 156.69(16) . . . . ?
C11 C1 C005 C24 -132.4(2) . . . . ?
C2 C1 C005 C24 112.61(19) . . . . ?
P1 C1 C005 C24 15.4(2) . . . . ?
C11 C1 C005 C2 115.0(2) . . . . ?
P1 C1 C005 C2 -97.25(15) . . . . ?
C3 C2 C005 C17 -149.3(2) . . . . ?
C1 C2 C005 C17 111.2(2) . . . . ?
C3 C2 C005 C24 2.0(3) . . . . ?
C1 C2 C005 C24 -97.5(2) . . . . ?
C3 C2 C005 C1 99.5(2) . . . . ?
C10 C5 C6 C7 0.9(3) . . . . ?
C4 C5 C6 C7 178.9(2) . . . . ?
C5 C6 C7 C8 -1.5(3) . . . . ?
C6 C7 C8 C9 1.0(4) . . . . ?
C7 C8 C9 C10 0.0(4) . . . . ?
C8 C9 C10 C5 -0.6(4) . . . . ?
C6 C5 C10 C9 0.1(3) . . . . ?
C4 C5 C10 C9 -177.9(2) . . . . ?
C2 C1 C11 C16 158.2(2) . . . . ?
C005 C1 C11 C16 79.9(3) . . . . ?
P1 C1 C11 C16 -63.5(2) . . . . ?
C2 C1 C11 C12 -26.5(3) . . . . ?
C005 C1 C11 C12 -104.8(2) . . . . ?
P1 C1 C11 C12 111.8(2) . . . . ?
C16 C11 C12 C13 -1.2(3) . . . . ?
C1 C11 C12 C13 -176.51(19) . . . . ?
C11 C12 C13 C14 0.9(3) . . . . ?
C12 C13 C14 C15 -0.2(3) . . . . ?
C13 C14 C15 C16 -0.2(3) . . . . ?
C14 C15 C16 C11 -0.1(3) . . . . ?
C12 C11 C16 C15 0.8(3) . . . . ?
C1 C11 C16 C15 176.2(2) . . . . ?
C24 C005 C17 C22 59.3(3) . . . . ?
C1 C005 C17 C22 -80.3(3) . . . . ?
C2 C005 C17 C22 -148.39(19) . . . . ?
C24 C005 C17 C18 -117.7(2) . . . . ?
C1 C005 C17 C18 102.8(2) . . . . ?
C2 C005 C17 C18 34.7(3) . . . . ?
C22 C17 C18 C19 -0.4(3) . . . . ?
C005 C17 C18 C19 176.54(19) . . . . ?
C17 C18 C19 C20 0.2(3) . . . . ?
C18 C19 C20 C21 0.6(3) . . . . ?
C19 C20 C21 C22 -1.0(3) . . . . ?
C20 C21 C22 C17 0.8(3) . . . . ?
C18 C17 C22 C21 -0.1(3) . . . . ?
C005 C17 C22 C21 -177.09(19) . . . . ?
C28 C23 C24 C25 0.8(3) . . . . ?
P1 C23 C24 C25 174.84(16) . . . . ?
C28 C23 C24 C005 179.00(19) . . . . ?
P1 C23 C24 C005 -7.0(2) . . . . ?
C17 C005 C24 C25 28.4(3) . . . . ?
C1 C005 C24 C25 172.1(2) . . . . ?
C2 C005 C24 C25 -123.6(2) . . . . ?
C17 C005 C24 C23 -149.60(19) . . . . ?
C1 C005 C24 C23 -6.0(3) . . . . ?
C2 C005 C24 C23 58.4(3) . . . . ?
C23 C24 C25 C26 0.6(3) . . . . ?
C005 C24 C25 C26 -177.4(2) . . . . ?
C24 C25 C26 C27 -0.8(3) . . . . ?
C25 C26 C27 C28 -0.4(3) . . . . ?
C26 C27 C28 C23 1.7(3) . . . . ?
C24 C23 C28 C27 -2.0(3) . . . . ?
P1 C23 C28 C27 -174.77(17) . . . . ?
C28 C23 P1 C4 92.4(2) . . . . ?
C24 C23 P1 C4 -81.04(16) . . . . ?
C28 C23 P1 C1 -172.3(2) . . . . ?
C24 C23 P1 C1 14.17(16) . . . . ?
C28 C23 P1 Se1 -40.5(2) . . . . ?
C24 C23 P1 Se1 146.04(13) . . . . ?
C3 C4 P1 C23 80.67(16) . . . . ?
C5 C4 P1 C23 -86.73(18) . . . . ?
C3 C4 P1 C1 -14.69(16) . . . . ?
C5 C4 P1 C1 177.92(17) . . . . ?
C3 C4 P1 Se1 -148.22(13) . . . . ?
C5 C4 P1 Se1 44.39(19) . . . . ?
C11 C1 P1 C23 133.17(17) . . . . ?
C2 C1 P1 C23 -80.70(15) . . . . ?
C005 C1 P1 C23 -16.76(15) . . . . ?
C11 C1 P1 C4 -129.76(17) . . . . ?
C2 C1 P1 C4 16.37(15) . . . . ?
C005 C1 P1 C4 80.31(15) . . . . ?
C11 C1 P1 Se1 3.5(2) . . . . ?
C2 C1 P1 Se1 149.63(11) . . . . ?
C005 C1 P1 Se1 -146.44(11) . . . . ?

_refine_diff_density_max         0.447
_refine_diff_density_min         -0.308
_refine_diff_density_rms         0.074

