#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/45/2204530.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2204530
loop_
_publ_author_name
'Chęcińska, Lilianna'
'Małecka, Magdalena'
'Kalinowska, Urszula'
'Ochocki, Justyn'
_publ_section_title
;
 trans-Bis(1H-benzimidazol-2-ylmethyl-κN³
 diethyl phosphate)dichloropalladium(II) monohydrate
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1558
_journal_page_last               m1561
_journal_paper_doi               10.1107/S1600536804023943
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Pd Cl2 (C12 H17 N2 O4 P)2], H2 O'
_chemical_formula_moiety         'C24 H34 Cl2 N4 O8 P2 Pd, H2 O'
_chemical_formula_sum            'C24 H36 Cl2 N4 O9 P2 Pd'
_chemical_formula_weight         763.81
_chemical_name_systematic
;
trans-Bis(1H-benzimidazol-2-ylmethyl-\kN³ diethyl
phosphate)dichloropalladium(II) monohydrate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.31(2)
_cell_angle_beta                 115.10(3)
_cell_angle_gamma                100.64(4)
_cell_formula_units_Z            1
_cell_length_a                   9.463(5)
_cell_length_b                   9.638(2)
_cell_length_c                   10.908(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.66
_cell_measurement_theta_min      15.34
_cell_volume                     847.6(6)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;MSC/AFC Diffractometer Control Software (Molecular Structure Corporation,
 1989)'
;
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'PLATON (Spek,  2001)'
_computing_publication_material  PLATON
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku AFC-5S'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0286
_diffrn_reflns_av_sigmaI/netI    0.2050
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4131
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.82
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.850
_exptl_absorpt_correction_T_max  0.905
_exptl_absorpt_correction_T_min  0.723
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(de Meulenaer & Tompa, 1965)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.496
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       Prism
_exptl_crystal_F_000             390
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.513
_refine_diff_density_min         -0.407
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.901
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     223
_refine_ls_number_reflns         3898
_refine_ls_number_restraints     134
_refine_ls_restrained_S_all      0.905
_refine_ls_R_factor_all          0.1433
_refine_ls_R_factor_gt           0.0459
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
; calc
 [1.00000exp(3.00(sinθ/λ)²)]/
   [σ²(Fo²)+(0.0494P)²]
 where P = 0.33333Fo² + 0.66667Fc²
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1073
_refine_ls_wR_factor_ref         0.1196
_reflns_number_gt                1608
_reflns_number_total             3898
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            lh6279.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Analytical' changed
to 'analytical' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Analytical'
changed to 'analytical' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2204530
_cod_database_fobs_code          2204530
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Pd 0.5000 0.5000 0.5000 0.0606(2) Uani d S 1 . . Pd
Cl 0.2422(2) 0.49982(17) 0.3538(2) 0.1264(7) Uani d . 1 . . Cl
N1 0.4414(5) 0.2834(4) 0.4120(4) 0.0612(10) Uani d . 1 . . N
C2 0.4762(6) 0.2185(5) 0.3155(5) 0.0652(13) Uani d . 1 . . C
N2 0.4210(5) 0.0708(4) 0.2785(4) 0.0700(11) Uani d . 1 . . N
H2 0.4308 0.0098 0.2167 0.084 Uiso calc R 1 . . H
C3 0.3463(6) 0.0346(5) 0.3569(5) 0.0613(13) Uani d . 1 . . C
C4 0.2675(7) -0.1001(6) 0.3611(6) 0.0803(16) Uani d . 1 . . C
H4 0.2584 -0.1892 0.3044 0.096 Uiso calc R 1 . . H
C5 0.2039(8) -0.0943(7) 0.4531(7) 0.1000(19) Uani d . 1 . . C
H5 0.1508 -0.1822 0.4591 0.120 Uiso calc R 1 . . H
C6 0.2159(8) 0.0385(7) 0.5380(7) 0.0992(19) Uani d . 1 . . C
H6 0.1701 0.0369 0.5984 0.119 Uiso calc R 1 . . H
C7 0.2943(7) 0.1722(6) 0.5345(6) 0.0857(17) Uani d . 1 . . C
H7 0.3040 0.2607 0.5925 0.103 Uiso calc R 1 . . H
C8 0.3583(6) 0.1693(5) 0.4406(5) 0.0618(12) Uani d . 1 . . C
C1 0.5744(8) 0.3031(6) 0.2618(6) 0.097(2) Uani d . 1 . . C
H1A 0.5547 0.3983 0.2614 0.116 Uiso calc R 1 . . H
H1B 0.6898 0.3191 0.3219 0.116 Uiso calc R 1 . . H
P 0.6362(2) 0.24676(16) 0.04944(18) 0.0864(5) Uani d . 1 A . P
O1 0.5254(5) 0.2174(4) 0.1196(4) 0.0831(11) Uani d . 1 . . O
O2 0.5601(6) 0.1485(4) -0.0918(4) 0.1039(14) Uani d . 1 . . O
O3 0.6627(7) 0.4140(4) 0.0640(5) 0.1316(18) Uani d D 1 . . O
O4 0.8084(7) 0.2490(7) 0.1514(6) 0.1450(19) Uani d D 1 . . O
C31A 0.720(2) 0.4956(15) -0.0196(14) 0.130(4) Uani d PDU 0.50 A 1 C
H31A 0.6365 0.5279 -0.0866 0.156 Uiso calc PR 0.50 A 1 H
H31B 0.7704 0.4422 -0.0655 0.156 Uiso calc PR 0.50 A 1 H
C32A 0.843(3) 0.6183(18) 0.1133(16) 0.151(5) Uani d PDU 0.50 A 1 C
H32A 0.8047 0.7039 0.1154 0.226 Uiso calc PR 0.50 A 1 H
H32B 0.9461 0.6420 0.1137 0.226 Uiso calc PR 0.50 A 1 H
H32C 0.8551 0.5865 0.1949 0.226 Uiso calc PR 0.50 A 1 H
C41A 0.809(2) 0.0906(14) 0.145(2) 0.168(5) Uani d PDU 0.50 A 1 C
H41A 0.7968 0.0662 0.2230 0.202 Uiso calc PR 0.50 A 1 H
H41B 0.7175 0.0251 0.0575 0.202 Uiso calc PR 0.50 A 1 H
C42A 0.959(2) 0.069(2) 0.152(2) 0.168(5) Uani d PDU 0.50 A 1 C
H42A 0.9543 0.0583 0.0611 0.252 Uiso calc PR 0.50 A 1 H
H42B 0.9740 -0.0189 0.1799 0.252 Uiso calc PR 0.50 A 1 H
H42C 1.0495 0.1521 0.2205 0.252 Uiso calc PR 0.50 A 1 H
C31B 0.8037(17) 0.4860(14) 0.042(2) 0.135(4) Uani d PDU 0.50 A 2 C
H31C 0.9049 0.4791 0.1138 0.162 Uiso calc PR 0.50 A 2 H
H31D 0.7880 0.4346 -0.0497 0.162 Uiso calc PR 0.50 A 2 H
C32B 0.814(3) 0.6436(14) 0.0508(19) 0.146(5) Uani d PDU 0.50 A 2 C
H32D 0.7190 0.6632 0.0526 0.219 Uiso calc PR 0.50 A 2 H
H32E 0.8200 0.6642 -0.0301 0.219 Uiso calc PR 0.50 A 2 H
H32F 0.9099 0.7051 0.1354 0.219 Uiso calc PR 0.50 A 2 H
C41B 0.894(2) 0.1373(19) 0.209(2) 0.166(5) Uani d PDU 0.50 A 2 C
H41C 0.9868 0.1790 0.3032 0.199 Uiso calc PR 0.50 A 2 H
H41D 0.8213 0.0483 0.2032 0.199 Uiso calc PR 0.50 A 2 H
C42B 0.939(3) 0.121(2) 0.0960(19) 0.163(5) Uani d PDU 0.50 A 2 C
H42D 0.8985 0.1839 0.0393 0.244 Uiso calc PR 0.50 A 2 H
H42E 0.8934 0.0201 0.0380 0.244 Uiso calc PR 0.50 A 2 H
H42F 1.0562 0.1474 0.1364 0.244 Uiso calc PR 0.50 A 2 H
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
-1 1 1
1 0 1
-2 1 0
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
N1 Pd N1 2_666 . 180.0 no
N1 Pd Cl 2_666 . 89.78(13) no
N1 Pd Cl . . 90.22(13) yes
N1 Pd Cl 2_666 2_666 90.22(13) no
N1 Pd Cl . 2_666 89.78(13) no
Cl Pd Cl . 2_666 180.0 no
C2 N1 C8 . . 105.5(4) no
C2 N1 Pd . . 126.9(3) no
C8 N1 Pd . . 127.6(3) no
N1 C2 N2 . . 112.5(4) no
N1 C2 C1 . . 122.5(4) no
N2 C2 C1 . . 124.9(4) no
C2 N2 C3 . . 107.8(4) no
C2 N2 H2 . . 126.1 no
C3 N2 H2 . . 126.1 no
N2 C3 C4 . . 132.4(4) no
N2 C3 C8 . . 105.5(4) no
C4 C3 C8 . . 122.0(5) no
C5 C4 C3 . . 116.4(5) no
C5 C4 H4 . . 121.8 no
C3 C4 H4 . . 121.8 no
C4 C5 C6 . . 122.4(6) no
C4 C5 H5 . . 118.8 no
C6 C5 H5 . . 118.8 no
C7 C6 C5 . . 121.4(6) no
C7 C6 H6 . . 119.3 no
C5 C6 H6 . . 119.3 no
C6 C7 C8 . . 117.3(5) no
C6 C7 H7 . . 121.3 no
C8 C7 H7 . . 121.3 no
N1 C8 C7 . . 130.9(4) no
N1 C8 C3 . . 108.6(4) no
C7 C8 C3 . . 120.5(5) no
O1 C1 C2 . . 107.6(4) yes
O1 C1 H1A . . 110.2 no
C2 C1 H1A . . 110.2 no
O1 C1 H1B . . 110.2 no
C2 C1 H1B . . 110.2 no
H1A C1 H1B . . 108.5 no
O2 P O4 . . 117.7(3) yes
O2 P O3 . . 116.8(3) yes
O4 P O3 . . 100.1(3) yes
O2 P O1 . . 110.3(2) yes
O4 P O1 . . 108.6(3) yes
O3 P O1 . . 101.9(2) yes
C1 O1 P . . 120.9(3) yes
C31A O3 P . . 125.7(7) no
C31B O3 P . . 114.3(6) no
C41A O4 P . . 107.8(9) no
P O4 C41B . . 137.1(10) no
O3 C31A C32A . . 91.4(10) no
O3 C31A H31A . . 113.4 no
C32A C31A H31A . . 113.4 no
O3 C31A H31B . . 113.4 no
C32A C31A H31B . . 113.4 no
H31A C31A H31B . . 110.7 no
C31A C32A H32A . . 109.5 no
C31A C32A H32B . . 109.5 no
H32A C32A H32B . . 109.5 no
C31A C32A H32C . . 109.5 no
H32A C32A H32C . . 109.5 no
H32B C32A H32C . . 109.5 no
C42A C41A O4 . . 111.1(14) no
C42A C41A H41A . . 109.4 no
O4 C41A H41A . . 109.4 no
C42A C41A H41B . . 109.4 no
O4 C41A H41B . . 109.4 no
H41A C41A H41B . . 108.0 no
C41A C42A H42A . . 109.5 no
C41A C42A H42B . . 109.5 no
H42A C42A H42B . . 109.5 no
C41A C42A H42C . . 109.5 no
H42A C42A H42C . . 109.5 no
H42B C42A H42C . . 109.5 no
C32B C31B O3 . . 110.4(12) no
C32B C31B H31C . . 109.6 no
O3 C31B H31C . . 109.6 no
C32B C31B H31D . . 109.6 no
O3 C31B H31D . . 109.6 no
H31C C31B H31D . . 108.1 no
C31B C32B H32D . . 109.5 no
C31B C32B H32E . . 109.5 no
H32D C32B H32E . . 109.5 no
C31B C32B H32F . . 109.5 no
H32D C32B H32F . . 109.5 no
H32E C32B H32F . . 109.5 no
C42B C41B O4 . . 88.5(12) no
C42B C41B H41C . . 113.9 no
O4 C41B H41C . . 113.9 no
C42B C41B H41D . . 113.9 no
O4 C41B H41D . . 113.9 no
H41C C41B H41D . . 111.1 no
C41B C42B H42D . . 109.5 no
C41B C42B H42E . . 109.5 no
H42D C42B H42E . . 109.5 no
C41B C42B H42F . . 109.5 no
H42D C42B H42F . . 109.5 no
H42E C42B H42F . . 109.5 no
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
Pd N1 2_666 1.998(3) yes
Pd N1 . 1.998(3) no
Pd Cl . 2.278(2) yes
Pd Cl 2_666 2.278(2) ?
N1 C2 . 1.319(5) no
N1 C8 . 1.392(6) no
C2 N2 . 1.343(5) no
C2 C1 . 1.492(7) yes
N2 C3 . 1.372(6) no
N2 H2 . 0.8600 no
C3 C4 . 1.391(7) no
C3 C8 . 1.402(6) no
C4 C5 . 1.370(8) no
C4 H4 . 0.9300 no
C5 C6 . 1.394(8) no
C5 H5 . 0.9300 no
C6 C7 . 1.379(7) no
C6 H6 . 0.9300 no
C7 C8 . 1.392(7) no
C7 H7 . 0.9300 no
C1 O1 . 1.446(5) no
C1 H1A . 0.9700 no
C1 H1B . 0.9700 no
P O2 . 1.440(4) yes
P O4 . 1.527(6) yes
P O3 . 1.553(4) yes
P O1 . 1.555(4) yes
O3 C31A . 1.505(9) no
O3 C31B . 1.518(9) no
O4 C41A . 1.517(10) no
O4 C41B . 1.533(10) no
C31A C32A . 1.516(9) no
C31A H31A . 0.9700 no
C31A H31B . 0.9700 no
C32A H32A . 0.9600 no
C32A H32B . 0.9600 no
C32A H32C . 0.9600 no
C41A C42A . 1.447(10) no
C41A H41A . 0.9700 no
C41A H41B . 0.9700 no
C42A H42A . 0.9600 no
C42A H42B . 0.9600 no
C42A H42C . 0.9600 no
C31B C32B . 1.487(9) no
C31B H31C . 0.9700 no
C31B H31D . 0.9700 no
C32B H32D . 0.9600 no
C32B H32E . 0.9600 no
C32B H32F . 0.9600 no
C41B C42B . 1.459(10) no
C41B H41C . 0.9700 no
C41B H41D . 0.9700 no
C42B H42D . 0.9600 no
C42B H42E . 0.9600 no
C42B H42F . 0.9600 no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_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
N2 H2 O2 2_655 0.86 1.90 2.749(6) 171 yes
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
_geom_torsion_publ_flag
Cl Pd N1 C2 . 100.6(4) no
Cl Pd N1 C2 2_666 -79.4(4) no
Cl Pd N1 C8 . -80.6(4) no
Cl Pd N1 C8 2_666 99.4(4) no
C8 N1 C2 N2 . 0.4(6) no
Pd N1 C2 N2 . 179.4(3) no
C8 N1 C2 C1 . -176.4(5) no
Pd N1 C2 C1 . 2.6(7) no
N1 C2 N2 C3 . -0.8(6) no
C1 C2 N2 C3 . 175.9(5) no
C2 N2 C3 C4 . 179.3(5) no
C2 N2 C3 C8 . 0.9(5) no
N2 C3 C4 C5 . -179.1(5) no
C8 C3 C4 C5 . -0.9(8) no
C3 C4 C5 C6 . 0.3(9) no
C4 C5 C6 C7 . -0.5(10) no
C5 C6 C7 C8 . 1.2(10) no
C2 N1 C8 C7 . 179.1(5) ?
Pd N1 C8 C7 . 0.1(8) no
C2 N1 C8 C3 . 0.1(5) no
Pd N1 C8 C3 . -178.9(3) no
C6 C7 C8 N1 . 179.4(5) no
C6 C7 C8 C3 . -1.7(8) no
N2 C3 C8 N1 . -0.6(5) no
C4 C3 C8 N1 . -179.3(4) no
N2 C3 C8 C7 . -179.7(5) no
C4 C3 C8 C7 . 1.7(8) no
N1 C2 C1 O1 . -152.6(5) no
N2 C2 C1 O1 . 31.0(8) no
C2 C1 O1 P . -160.9(4) no
O2 P O1 C1 . -179.5(4) no
O4 P O1 C1 . 50.2(5) no
O3 P O1 C1 . -54.8(5) no
O2 P O3 C31A . -41.5(10) no
O4 P O3 C31A . 86.7(9) no
O1 P O3 C31A . -161.8(9) no
O2 P O3 C31B . -76.0(9) no
O4 P O3 C31B . 52.2(9) no
O1 P O3 C31B . 163.8(9) no
O2 P O4 C41A . -49.0(10) no
O3 P O4 C41A . -176.7(9) no
O1 P O4 C41A . 77.0(9) no
O2 P O4 C41B . -55.8(11) no
O3 P O4 C41B . 176.5(11) no
O1 P O4 C41B . 70.3(11) no
C31B O3 C31A C32A . -54.5(16) no
P O3 C31A C32A . -133.2(11) no
P O4 C41A C42A . 141.3(16) no
C41B O4 C41A C42A . -48.0(19) no
C31A O3 C31B C32B . 58.1(16) no
P O3 C31B C32B . 177.1(11) no
C41A O4 C41B C42B . 81(2) no
P O4 C41B C42B . 93.6(14) no
