#------------------------------------------------------------------------------
#$Date: 2025-04-03 08:32:21 +0300 (Thu, 03 Apr 2025) $
#$Revision: 298703 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/55/7715564.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_7715564
loop_
_publ_author_name
'Kamboj, Nisha'
'Dey, Ayan'
'Birara, Sunita'
'Majumder, Moumita'
'Sengupta, Srijan'
'Metre, Ramesh K.'
_publ_section_title
;
 Designing one-compartment H₂O₂ fuel cell using
 electroactive phenalenyl-based [Fe₂(hnmh-PLY)₃]
 complex as the cathode material.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7152
_journal_page_last               7162
_journal_paper_doi               10.1039/d4dt00134f
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C24 H16 N2 O2'
_chemical_formula_sum            'C24 H16 N2 O2'
_chemical_formula_weight         364.39
_chemical_name_systematic        NK_293
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2023-05-03
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2023-10-31 deposited with the CCDC.	2024-03-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.6410(8)
_cell_length_b                   13.252(3)
_cell_length_c                   27.377(5)
_cell_measurement_reflns_used    5089
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      2.71
_cell_volume                     1683.8(6)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      273.15
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1155
_diffrn_reflns_av_unetI/netI     0.0708
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            23273
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.398
_diffrn_reflns_theta_min         2.139
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.093
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5296
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1690 before and 0.0812 after correction.
The Ratio of minimum to maximum transmission is 0.7102.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear reddish red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.437
_exptl_crystal_description       needle
_exptl_crystal_F_000             760
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.359
_refine_diff_density_min         -0.419
_refine_diff_density_rms         0.117
_refine_ls_abs_structure_details
;
 Flack x determined using 1000 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.8(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.140
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     254
_refine_ls_number_reflns         4229
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.140
_refine_ls_R_factor_all          0.0966
_refine_ls_R_factor_gt           0.0653
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0862P)²+0.4489P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1632
_refine_ls_wR_factor_ref         0.1897
_reflns_Friedel_coverage         0.700
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                3184
_reflns_number_total             4229
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt00134f2.cif
_cod_data_source_block           hnmh-PLYH2
_cod_depositor_comments
;
Adding full bibliography for 7715563--7715564.cif.

2025-04-02
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C96 H64 N8 O8'
_cod_original_formula_weight         1457.55
_cod_original_formula_moiety         '4(C24 H16 N2 O2)'
_cod_original_formula_units_Z            1
_cod_original_cell_volume        1683.8(5)
_cod_database_code               7715564
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_max   0.982
_shelx_estimated_absorpt_t_min   0.982
_olex2_refinement_description
;
1.a Aromatic/amide H refined with riding coordinates:
 N003(H003), C008(H008), C009(H009), C00A(H00A), C00D(H00D), C00E(H00E),
 C00I(H00I), C00J(H00J), C00K(H00K), C00L(H00L), C00N(H00N), C00P(H00P),
 C00Q(H00Q), C00R(H00R), C00S(H00S)
1.b Idealised tetrahedral OH refined as rotating group:
 O001(H001)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
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
O001 O 0.9225(7) 0.2150(2) 0.36862(10) 0.0324(7) Uani 1 1 d . . . . .
H001 H 0.837023 0.263723 0.380013 0.049 Uiso 1 1 calc R U . . .
O002 O 0.1185(6) 0.6041(2) 0.35225(11) 0.0320(7) Uani 1 1 d . . . . .
N003 N 0.4369(7) 0.4523(3) 0.37385(12) 0.0252(7) Uani 1 1 d . . . . .
H003 H 0.394419 0.500516 0.354095 0.030 Uiso 1 1 calc R U . . .
N004 N 0.6440(7) 0.3837(3) 0.36098(12) 0.0259(7) Uani 1 1 d . . . . .
C005 C 0.0147(8) 0.4347(3) 0.50824(14) 0.0262(8) Uani 1 1 d . . . . .
C006 C -0.0515(8) 0.5137(3) 0.47467(14) 0.0238(8) Uani 1 1 d . . . . .
C007 C 1.3514(8) 0.2843(3) 0.23972(15) 0.0278(9) Uani 1 1 d . . . . .
C008 C -0.1283(9) 0.4297(3) 0.55331(15) 0.0303(9) Uani 1 1 d . . . . .
H008 H -0.083134 0.378525 0.575240 0.036 Uiso 1 1 calc R U . . .
C009 C 1.2620(9) 0.4640(3) 0.18940(15) 0.0321(9) Uani 1 1 d . . . . .
H009 H 1.231820 0.523952 0.172464 0.039 Uiso 1 1 calc R U . . .
C00A C 1.5006(9) 0.3046(3) 0.19602(15) 0.0322(10) Uani 1 1 d . . . . .
H00A H 1.631148 0.257592 0.183936 0.039 Uiso 1 1 calc R U . . .
C00B C -0.2629(8) 0.5857(3) 0.48839(15) 0.0272(9) Uani 1 1 d . . . . .
C00C C 0.2994(8) 0.4455(3) 0.41671(14) 0.0245(8) Uani 1 1 d . . . . .
C00D C 1.4559(9) 0.3927(3) 0.17116(16) 0.0340(10) Uani 1 1 d . . . . .
H00D H 1.554174 0.405080 0.142172 0.041 Uiso 1 1 calc R U . . .
C00E C 1.1161(8) 0.4464(3) 0.23203(15) 0.0292(9) Uani 1 1 d . . . . .
H00E H 0.991847 0.495576 0.244035 0.035 Uiso 1 1 calc R U . . .
C00F C 0.0869(8) 0.5191(3) 0.42832(14) 0.0231(8) Uani 1 1 d . . . . .
C00G C 1.1501(8) 0.3552(3) 0.25821(14) 0.0261(8) Uani 1 1 d . . . . .
C00H C 1.0540(9) 0.2420(3) 0.32661(15) 0.0273(9) Uani 1 1 d . . . . .
C00I C 0.2292(9) 0.3637(3) 0.49482(15) 0.0298(9) Uani 1 1 d . . . . .
H00I H 0.277885 0.312557 0.516549 0.036 Uiso 1 1 calc R U . . .
C00J C 1.2569(9) 0.1731(3) 0.30817(15) 0.0295(9) Uani 1 1 d . . . . .
H00J H 1.294169 0.113574 0.325030 0.035 Uiso 1 1 calc R U . . .
C00K C 0.7760(8) 0.4005(3) 0.32023(14) 0.0256(8) Uani 1 1 d . . . . .
H00K H 0.729158 0.457517 0.302052 0.031 Uiso 1 1 calc R U . . .
C00L C -0.3357(9) 0.5003(3) 0.56543(15) 0.0325(10) Uani 1 1 d . . . . .
H00L H -0.433486 0.495532 0.594991 0.039 Uiso 1 1 calc R U . . .
C00M C 0.9947(8) 0.3325(3) 0.30246(14) 0.0252(8) Uani 1 1 d . . . . .
C00N C -0.3970(9) 0.5780(3) 0.53345(15) 0.0305(9) Uani 1 1 d . . . . .
H00N H -0.532027 0.626423 0.542405 0.037 Uiso 1 1 calc R U . . .
C00O C 0.0110(8) 0.5986(3) 0.39469(14) 0.0258(8) Uani 1 1 d . . . . .
C00P C 1.3991(9) 0.1930(3) 0.26573(15) 0.0307(9) Uani 1 1 d . . . . .
H00P H 1.529600 0.145999 0.253573 0.037 Uiso 1 1 calc R U . . .
C00Q C -0.3293(9) 0.6645(3) 0.45415(16) 0.0312(9) Uani 1 1 d . . . . .
H00Q H -0.464225 0.713151 0.462836 0.037 Uiso 1 1 calc R U . . .
C00R C 0.3648(9) 0.3687(3) 0.45112(15) 0.0276(9) Uani 1 1 d . . . . .
H00R H 0.503999 0.320790 0.443463 0.033 Uiso 1 1 calc R U . . .
C00S C -0.2037(9) 0.6703(3) 0.40999(16) 0.0315(9) Uani 1 1 d . . . . .
H00S H -0.256656 0.722003 0.388824 0.038 Uiso 1 1 calc R U . . .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C00H O001 H001 109.5 . . ?
N004 N003 H003 119.5 . . ?
C00C N003 H003 119.5 . . ?
C00C N003 N004 121.0(3) . . ?
C00K N004 N003 116.1(3) . . ?
C008 C005 C006 120.0(4) . . ?
C008 C005 C00I 122.0(4) . . ?
C00I C005 C006 118.1(4) . . ?
C00B C006 C005 118.1(4) . . ?
C00B C006 C00F 120.9(3) . . ?
C00F C006 C005 121.0(3) . . ?
C00A C007 C00G 120.0(4) . . ?
C00A C007 C00P 120.8(4) . . ?
C00G C007 C00P 119.2(4) . . ?
C005 C008 H008 119.7 . . ?
C00L C008 C005 120.6(4) . . ?
C00L C008 H008 119.7 . . ?
C00D C009 H009 119.8 . . ?
C00E C009 H009 119.8 . . ?
C00E C009 C00D 120.5(4) . . ?
C007 C00A H00A 119.6 . . ?
C00D C00A C007 120.8(4) . . ?
C00D C00A H00A 119.6 . . ?
C006 C00B C00Q 117.7(4) . . ?
C00N C00B C006 119.8(4) . . ?
C00N C00B C00Q 122.6(4) . . ?
N003 C00C C00F 118.7(3) . . ?
N003 C00C C00R 121.9(3) . . ?
C00R C00C C00F 119.4(4) . . ?
C009 C00D H00D 120.1 . . ?
C00A C00D C009 119.8(4) . . ?
C00A C00D H00D 120.1 . . ?
C009 C00E H00E 119.2 . . ?
C009 C00E C00G 121.5(4) . . ?
C00G C00E H00E 119.2 . . ?
C006 C00F C00O 119.7(3) . . ?
C00C C00F C006 118.5(3) . . ?
C00C C00F C00O 121.8(4) . . ?
C007 C00G C00M 119.4(4) . . ?
C00E C00G C007 117.3(4) . . ?
C00E C00G C00M 123.3(4) . . ?
O001 C00H C00J 115.9(4) . . ?
O001 C00H C00M 122.8(4) . . ?
C00M C00H C00J 121.3(4) . . ?
C005 C00I H00I 119.2 . . ?
C00R C00I C005 121.5(4) . . ?
C00R C00I H00I 119.2 . . ?
C00H C00J H00J 119.8 . . ?
C00P C00J C00H 120.4(4) . . ?
C00P C00J H00J 119.8 . . ?
N004 C00K H00K 119.4 . . ?
N004 C00K C00M 121.1(4) . . ?
C00M C00K H00K 119.4 . . ?
C008 C00L H00L 120.1 . . ?
C00N C00L C008 119.7(4) . . ?
C00N C00L H00L 120.1 . . ?
C00G C00M C00K 120.3(4) . . ?
C00H C00M C00G 118.6(4) . . ?
C00H C00M C00K 121.0(4) . . ?
C00B C00N H00N 119.1 . . ?
C00L C00N C00B 121.8(4) . . ?
C00L C00N H00N 119.1 . . ?
O002 C00O C00F 122.2(4) . . ?
O002 C00O C00S 120.0(4) . . ?
C00S C00O C00F 117.7(4) . . ?
C007 C00P H00P 119.5 . . ?
C00J C00P C007 121.1(4) . . ?
C00J C00P H00P 119.5 . . ?
C00B C00Q H00Q 118.8 . . ?
C00S C00Q C00B 122.4(4) . . ?
C00S C00Q H00Q 118.8 . . ?
C00C C00R H00R 119.3 . . ?
C00I C00R C00C 121.5(4) . . ?
C00I C00R H00R 119.3 . . ?
C00O C00S H00S 119.2 . . ?
C00Q C00S C00O 121.6(4) . . ?
C00Q C00S H00S 119.2 . . ?
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
O001 H001 0.8200 . ?
O001 C00H 1.350(5) . ?
O002 C00O 1.267(5) . ?
N003 H003 0.8600 . ?
N003 N004 1.369(4) . ?
N003 C00C 1.339(5) . ?
N004 C00K 1.292(5) . ?
C005 C006 1.426(5) . ?
C005 C008 1.402(5) . ?
C005 C00I 1.418(6) . ?
C006 C00B 1.420(5) . ?
C006 C00F 1.424(5) . ?
C007 C00A 1.409(6) . ?
C007 C00G 1.419(5) . ?
C007 C00P 1.421(6) . ?
C008 H008 0.9300 . ?
C008 C00L 1.383(6) . ?
C009 H009 0.9300 . ?
C009 C00D 1.398(6) . ?
C009 C00E 1.369(6) . ?
C00A H00A 0.9300 . ?
C00A C00D 1.367(6) . ?
C00B C00N 1.386(6) . ?
C00B C00Q 1.436(6) . ?
C00C C00F 1.423(5) . ?
C00C C00R 1.419(5) . ?
C00D H00D 0.9300 . ?
C00E H00E 0.9300 . ?
C00E C00G 1.414(6) . ?
C00F C00O 1.442(5) . ?
C00G C00M 1.442(5) . ?
C00H C00J 1.406(6) . ?
C00H C00M 1.397(6) . ?
C00I H00I 0.9300 . ?
C00I C00R 1.353(5) . ?
C00J H00J 0.9300 . ?
C00J C00P 1.362(6) . ?
C00K H00K 0.9300 . ?
C00K C00M 1.442(5) . ?
C00L H00L 0.9300 . ?
C00L C00N 1.381(6) . ?
C00N H00N 0.9300 . ?
C00O C00S 1.440(6) . ?
C00P H00P 0.9300 . ?
C00Q H00Q 0.9300 . ?
C00Q C00S 1.345(6) . ?
C00R H00R 0.9300 . ?
C00S H00S 0.9300 . ?
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
O001 C00H C00J C00P 179.3(4) . . . . ?
O001 C00H C00M C00G 179.0(3) . . . . ?
O001 C00H C00M C00K -3.1(6) . . . . ?
O002 C00O C00S C00Q 177.6(4) . . . . ?
N003 N004 C00K C00M -178.9(3) . . . . ?
N003 C00C C00F C006 -177.8(3) . . . . ?
N003 C00C C00F C00O 1.8(5) . . . . ?
N003 C00C C00R C00I 178.5(4) . . . . ?
N004 N003 C00C C00F 179.7(3) . . . . ?
N004 N003 C00C C00R 1.3(5) . . . . ?
N004 C00K C00M C00G -176.8(4) . . . . ?
N004 C00K C00M C00H 5.4(6) . . . . ?
C005 C006 C00B C00N 0.3(5) . . . . ?
C005 C006 C00B C00Q -179.5(3) . . . . ?
C005 C006 C00F C00C -1.8(5) . . . . ?
C005 C006 C00F C00O 178.6(3) . . . . ?
C005 C008 C00L C00N -1.8(6) . . . . ?
C005 C00I C00R C00C 0.2(6) . . . . ?
C006 C005 C008 C00L 0.7(6) . . . . ?
C006 C005 C00I C00R -1.3(6) . . . . ?
C006 C00B C00N C00L -1.4(6) . . . . ?
C006 C00B C00Q C00S 1.4(6) . . . . ?
C006 C00F C00O O002 -176.8(3) . . . . ?
C006 C00F C00O C00S 0.4(5) . . . . ?
C007 C00A C00D C009 0.6(6) . . . . ?
C007 C00G C00M C00H 1.9(5) . . . . ?
C007 C00G C00M C00K -176.0(3) . . . . ?
C008 C005 C006 C00B 0.1(5) . . . . ?
C008 C005 C006 C00F -178.8(3) . . . . ?
C008 C005 C00I C00R 179.6(4) . . . . ?
C008 C00L C00N C00B 2.2(6) . . . . ?
C009 C00E C00G C007 2.7(6) . . . . ?
C009 C00E C00G C00M -178.2(4) . . . . ?
C00A C007 C00G C00E -2.1(5) . . . . ?
C00A C007 C00G C00M 178.8(4) . . . . ?
C00A C007 C00P C00J 179.6(4) . . . . ?
C00B C006 C00F C00C 179.3(3) . . . . ?
C00B C006 C00F C00O -0.3(5) . . . . ?
C00B C00Q C00S C00O -1.3(6) . . . . ?
C00C N003 N004 C00K -175.9(3) . . . . ?
C00C C00F C00O O002 3.6(6) . . . . ?
C00C C00F C00O C00S -179.1(3) . . . . ?
C00D C009 C00E C00G -1.7(6) . . . . ?
C00E C009 C00D C00A 0.0(6) . . . . ?
C00E C00G C00M C00H -177.2(4) . . . . ?
C00E C00G C00M C00K 4.9(6) . . . . ?
C00F C006 C00B C00N 179.2(4) . . . . ?
C00F C006 C00B C00Q -0.6(5) . . . . ?
C00F C00C C00R C00I 0.1(6) . . . . ?
C00F C00O C00S C00Q 0.3(6) . . . . ?
C00G C007 C00A C00D 0.5(6) . . . . ?
C00G C007 C00P C00J -0.6(6) . . . . ?
C00H C00J C00P C007 1.4(6) . . . . ?
C00I C005 C006 C00B -179.0(3) . . . . ?
C00I C005 C006 C00F 2.1(5) . . . . ?
C00I C005 C008 C00L 179.7(4) . . . . ?
C00J C00H C00M C00G -1.1(6) . . . . ?
C00J C00H C00M C00K 176.8(4) . . . . ?
C00M C00H C00J C00P -0.6(6) . . . . ?
C00N C00B C00Q C00S -178.4(4) . . . . ?
C00P C007 C00A C00D -179.6(4) . . . . ?
C00P C007 C00G C00E 178.0(4) . . . . ?
C00P C007 C00G C00M -1.1(5) . . . . ?
C00Q C00B C00N C00L 178.4(4) . . . . ?
C00R C00C C00F C006 0.7(5) . . . . ?
C00R C00C C00F C00O -179.8(4) . . . . ?
