#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:55:00 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179353 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/50/4325027.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_4325027
loop_
_publ_author_name
'Victor I. Ovcharenko'
'Sergei V. Fokin'
'Elena Yu. Fursova'
'Olga V. Kuznetsova'
'Eugene V. Tretyakov'
'Galina V. Romanenko'
'Artem S. Bogomyakov'
_publ_section_title
;
 "Jumping Crystals": Oxygen-Evolving Metal-Nitroxide Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4307
_journal_page_last               4312
_journal_paper_doi               10.1021/ic1022483
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C21 H19 Cu F12 N4 O6'
_chemical_formula_weight         714.94
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.942(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.108(4)
_cell_length_b                   19.783(5)
_cell_length_c                   15.093(5)
_cell_measurement_reflns_used    930
_cell_measurement_temperature    240(2)
_cell_measurement_theta_max      15.03
_cell_measurement_theta_min      2.30
_cell_volume                     2952.8(17)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      240(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0916
_diffrn_reflns_av_sigmaI/netI    0.1421
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12767
_diffrn_reflns_theta_full        23.31
_diffrn_reflns_theta_max         23.31
_diffrn_reflns_theta_min         2.06
_exptl_absorpt_coefficient_mu    0.857
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.608
_exptl_crystal_description       prizm
_exptl_crystal_F_000             1432
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.240
_refine_diff_density_min         -0.224
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.923
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         4256
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.923
_refine_ls_R_factor_all          0.1624
_refine_ls_R_factor_gt           0.0686
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0312P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0995
_refine_ls_wR_factor_ref         0.1254
_reflns_number_gt                1998
_reflns_number_total             4256
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1022483_si_001_06.cif
_cod_data_source_block           CuL2_240
_cod_original_cell_volume        2952.7(17)
_cod_database_code               4325027
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
Cu Cu 0.11718(10) 0.86258(4) 0.18588(6) 0.0668(3) Uani 1 1 d .
O1 O 0.0470(5) 0.7980(2) 0.0903(3) 0.0718(16) Uani 1 1 d .
C1 C -0.025(2) 0.6989(5) 0.0212(10) 0.150(6) Uani 1 1 d .
F1 F -0.0788(8) 0.7260(3) -0.0465(5) 0.195(4) Uani 1 1 d .
F2 F 0.0329(9) 0.6458(6) -0.0116(8) 0.279(6) Uani 1 1 d .
F3 F -0.1000(12) 0.6714(7) 0.0583(6) 0.294(9) Uani 1 1 d .
C2 C 0.0889(10) 0.7385(4) 0.0826(5) 0.079(3) Uani 1 1 d .
C3 C 0.2080(10) 0.7098(4) 0.1255(6) 0.088(3) Uani 1 1 d .
H3A H 0.2214 0.6636 0.1155 0.105 Uiso 1 1 calc R
C4 C 0.3109(9) 0.7451(5) 0.1833(6) 0.077(3) Uani 1 1 d .
C5 C 0.4382(18) 0.7019(9) 0.2243(13) 0.108(4) Uani 1 1 d .
F4 F 0.491(4) 0.6694(17) 0.163(3) 0.150(10) Uani 0.50 1 d P
F5 F 0.536(2) 0.7369(11) 0.253(3) 0.130(11) Uani 0.50 1 d P
F6 F 0.417(2) 0.6580(14) 0.2776(17) 0.110(8) Uani 0.50 1 d P
F4A F 0.417(4) 0.6392(13) 0.239(3) 0.23(2) Uani 0.50 1 d P
F5A F 0.503(6) 0.701(3) 0.156(4) 0.24(2) Uani 0.50 1 d P
F6A F 0.508(4) 0.729(2) 0.3004(17) 0.19(2) Uani 0.50 1 d P
O2 O 0.3103(5) 0.8036(2) 0.2078(3) 0.0867(19) Uani 1 1 d .
O3 O 0.0505(5) 0.8032(2) 0.2686(4) 0.0730(16) Uani 1 1 d .
C6 C -0.003(2) 0.7596(8) 0.4004(13) 0.113(5) Uani 1 1 d .
F8 F -0.070(4) 0.7865(9) 0.465(2) 0.162(10) Uani 0.50 1 d P
F7 F 0.079(3) 0.7181(19) 0.443(4) 0.20(3) Uani 0.50 1 d P
F9 F -0.129(4) 0.734(2) 0.347(2) 0.142(10) Uani 0.50 1 d P
F7A F 0.047(3) 0.7001(12) 0.3687(14) 0.139(10) Uani 0.50 1 d P
F8A F 0.043(4) 0.7536(16) 0.4815(18) 0.143(13) Uani 0.50 1 d P
F9A F -0.105(6) 0.751(3) 0.378(3) 0.23(3) Uani 0.50 1 d P
C7 C 0.0568(8) 0.8159(4) 0.3513(6) 0.071(2) Uani 1 1 d .
C8 C 0.1078(8) 0.8712(4) 0.4004(5) 0.079(3) Uani 1 1 d .
H8A H 0.1060 0.8734 0.4623 0.095 Uiso 1 1 calc R
C9 C 0.1617(8) 0.9235(4) 0.3601(5) 0.065(2) Uani 1 1 d .
C10 C 0.210(3) 0.9852(8) 0.4173(12) 0.109(4) Uani 1 1 d .
F11 F 0.180(7) 1.0398(12) 0.380(2) 0.163(16) Uani 0.50 1 d P
F10 F 0.109(3) 1.0246(18) 0.428(4) 0.159(13) Uani 0.50 1 d P
F12 F 0.277(7) 0.9689(15) 0.504(2) 0.21(2) Uani 0.50 1 d P
F10A F 0.287(7) 1.025(2) 0.385(4) 0.19(2) Uani 0.50 1 d P
F11A F 0.338(3) 0.9838(15) 0.434(3) 0.151(10) Uani 0.50 1 d P
F12A F 0.171(6) 0.985(2) 0.492(2) 0.164(12) Uani 0.50 1 d P
O4 O 0.1767(5) 0.9286(2) 0.2814(3) 0.0702(16) Uani 1 1 d .
O01 O 0.1083(6) 1.0684(3) -0.1706(4) 0.104(2) Uani 1 1 d .
N1 N 0.2219(7) 1.0379(3) -0.1616(4) 0.0657(18) Uani 1 1 d .
C01 C 0.3171(9) 1.0507(4) -0.2219(5) 0.077(2) Uani 1 1 d .
C02 C 0.4046(9) 1.1119(4) -0.1838(5) 0.121(3) Uani 1 1 d .
H02A H 0.3505 1.1527 -0.1941 0.181 Uiso 1 1 calc R
H02B H 0.4802 1.1157 -0.2140 0.181 Uiso 1 1 calc R
H02C H 0.4383 1.1059 -0.1193 0.181 Uiso 1 1 calc R
C03 C 0.2451(8) 1.0652(4) -0.3173(5) 0.097(3) Uani 1 1 d .
H03A H 0.1912 1.0263 -0.3416 0.146 Uiso 1 1 calc R
H03B H 0.3109 1.0746 -0.3542 0.146 Uiso 1 1 calc R
H03C H 0.1866 1.1042 -0.3177 0.146 Uiso 1 1 calc R
C04 C 0.4005(8) 0.9857(4) -0.2075(5) 0.066(2) Uani 1 1 d .
C05 C 0.5423(9) 0.9882(5) -0.2147(6) 0.133(4) Uani 1 1 d .
H05A H 0.5876 1.0246 -0.1773 0.200 Uiso 1 1 calc R
H05B H 0.5478 0.9961 -0.2773 0.200 Uiso 1 1 calc R
H05C H 0.5857 0.9456 -0.1945 0.200 Uiso 1 1 calc R
C06 C 0.3248(9) 0.9276(4) -0.2662(5) 0.122(4) Uani 1 1 d .
H06A H 0.3784 0.8866 -0.2558 0.183 Uiso 1 1 calc R
H06B H 0.3107 0.9399 -0.3297 0.183 Uiso 1 1 calc R
H06C H 0.2381 0.9201 -0.2499 0.183 Uiso 1 1 calc R
N2 N 0.3878(7) 0.9682(3) -0.1128(4) 0.0559(16) Uani 1 1 d .
O02 O 0.4680(5) 0.9290(2) -0.0622(3) 0.0833(17) Uani 1 1 d .
C07 C 0.2759(8) 0.9964(3) -0.0948(5) 0.0506(19) Uani 1 1 d .
C08 C 0.2237(7) 0.9809(4) -0.0163(5) 0.0524(19) Uani 1 1 d .
C09 C 0.2067(7) 0.9204(4) 0.0233(5) 0.058(2) Uani 1 1 d .
H09A H 0.2295 0.8782 0.0020 0.069 Uiso 1 1 calc R
N3 N 0.1524(5) 0.9291(3) 0.0977(4) 0.0563(16) Uani 1 1 d .
C010 C 0.1364(6) 0.9957(4) 0.1036(5) 0.056(2) Uani 1 1 d .
H01A H 0.1006 1.0169 0.1492 0.067 Uiso 1 1 calc R
N4 N 0.1773(5) 1.0286(3) 0.0371(4) 0.0537(16) Uani 1 1 d .
C011 C 0.1883(7) 1.1021(3) 0.0299(4) 0.073(2) Uani 1 1 d .
H01B H 0.1484 1.1235 0.0759 0.110 Uiso 1 1 calc R
H01C H 0.1410 1.1167 -0.0295 0.110 Uiso 1 1 calc R
H01D H 0.2829 1.1147 0.0387 0.110 Uiso 1 1 calc R
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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_3
O3 Cu O4 91.4(2) .
O3 Cu O1 87.5(2) .
O4 Cu O1 176.7(2) .
O3 Cu N3 169.9(2) .
O4 Cu N3 88.9(2) .
O1 Cu N3 91.5(2) .
O3 Cu O2 89.9(2) .
O4 Cu O2 96.5(2) .
O1 Cu O2 86.60(19) .
N3 Cu O2 100.1(2) .
O3 Cu O01 87.75(19) 3_575
O4 Cu O01 81.13(19) 3_575
O1 Cu O01 95.70(19) 3_575
N3 Cu O01 82.4(2) 3_575
O2 Cu O01 176.60(18) 3_575
C2 O1 Cu 126.9(5) .
F3 C1 F1 114(2) .
F3 C1 F2 100.9(9) .
F1 C1 F2 101.1(15) .
F3 C1 C2 115.4(13) .
F1 C1 C2 116.2(10) .
F2 C1 C2 106.8(15) .
O1 C2 C3 128.5(8) .
O1 C2 C1 107.9(9) .
C3 C2 C1 123.4(9) .
O1 C2 Cu 32.6(3) .
C3 C2 Cu 96.8(5) .
C1 C2 Cu 137.5(9) .
C2 C3 C4 123.8(8) .
O2 C4 C3 128.0(8) .
O2 C4 C5 117.1(10) .
C3 C4 C5 114.8(10) .
O2 C4 Cu 39.2(4) .
C3 C4 Cu 89.5(5) .
C5 C4 Cu 153.1(9) .
F5 C5 F6 114(3) .
F5 C5 F4A 130(2) .
F6 C5 F4A 32(2) .
F5 C5 F4 96(4) .
F6 C5 F4 105(2) .
F4A C5 F4 76(2) .
F5 C5 F5A 78(3) .
F6 C5 F5A 132(3) .
F4A C5 F5A 104(4) .
F4 C5 F5A 28(3) .
F5 C5 F6A 37.9(19) .
F6 C5 F6A 82(2) .
F4A C5 F6A 109(3) .
F4 C5 F6A 125(3) .
F5A C5 F6A 115(4) .
F5 C5 C4 112.1(15) .
F6 C5 C4 114.0(17) .
F4A C5 C4 116(2) .
F4 C5 C4 114.3(17) .
F5A C5 C4 101(2) .
F6A C5 C4 111(2) .
F5A F4 C5 77(8) .
F5A F4 F4A 128(9) .
C5 F4 F4A 51.1(19) .
F6A F5 C5 79(4) .
F6A F5 F5A 131(5) .
C5 F5 F5A 54(2) .
F4A F6 C5 78(4) .
F4A F6 F6A 122(5) .
C5 F6 F6A 51.8(15) .
F6 F4A C5 70(3) .
F6 F4A F4 119(5) .
C5 F4A F4 53(2) .
F4 F5A C5 75(7) .
F4 F5A F5 106(8) .
C5 F5A F5 48(2) .
F5 F6A C5 63(3) .
F5 F6A F6 104(5) .
C5 F6A F6 46.5(19) .
C4 O2 Cu 120.7(6) .
C7 O3 Cu 124.3(5) .
F9A C6 F8A 117(4) .
F9A C6 F7 124(4) .
F8A C6 F7 49(2) .
F9A C6 F7A 99(5) .
F8A C6 F7A 100(3) .
F7 C6 F7A 51(3) .
F9A C6 F8 72(3) .
F8A C6 F8 58.7(19) .
F7 C6 F8 105(3) .
F7A C6 F8 144.4(15) .
F9A C6 F9 19(5) .
F8A C6 F9 129(2) .
F7 C6 F9 118(3) .
F7A C6 F9 82(2) .
F8 C6 F9 91(3) .
F9A C6 C7 116(3) .
F8A C6 C7 116.7(18) .
F7 C6 C7 117(2) .
F7A C6 C7 104.1(16) .
F8 C6 C7 110.9(14) .
F9 C6 C7 112(2) .
F8A F8 C6 53.4(17) .
F8A F8 F9A 88(4) .
C6 F8 F9A 42(2) .
F8A F7 F7A 135(5) .
F8A F7 C6 64(3) .
F7A F7 C6 71(3) .
F9A F9 C6 35(10) .
F7 F7A C6 57(3) .
F7 F8A C6 67(3) .
F7 F8A F8 129(5) .
C6 F8A F8 68(2) .
F9 F9A C6 126(10) .
F9 F9A F8 166(10) .
C6 F9A F8 66(2) .
O3 C7 C8 129.4(8) .
O3 C7 C6 112.9(10) .
C8 C7 C6 117.7(11) .
O3 C7 Cu 34.2(4) .
C8 C7 Cu 95.2(5) .
C6 C7 Cu 147.1(9) .
C7 C8 C9 120.5(8) .
C7 C8 Cu 60.3(5) .
C9 C8 Cu 60.2(4) .
O4 C9 C8 129.0(8) .
O4 C9 C10 113.3(11) .
C8 C9 C10 117.8(11) .
O4 C9 Cu 33.9(3) .
C8 C9 Cu 95.1(5) .
C10 C9 Cu 147.1(10) .
F11 C10 F11A 105(3) .
F11 C10 F12A 108(3) .
F11A C10 F12A 109(3) .
F11 C10 F10A 53(2) .
F11A C10 F10A 54(3) .
F12A C10 F10A 131.8(19) .
F11 C10 F10 54(2) .
F11A C10 F10 140.8(19) .
F12A C10 F10 60(2) .
F10A C10 F10 104(3) .
F11 C10 F12 131.7(19) .
F11A C10 F12 62(3) .
F12A C10 F12 49(2) .
F10A C10 F12 107(4) .
F10 C10 F12 105(3) .
F11 C10 C9 115.5(16) .
F11A C10 C9 106.7(18) .
F12A C10 C9 112.8(18) .
F10A C10 C9 115.2(19) .
F10 C10 C9 112.3(19) .
F12 C10 C9 112.8(18) .
F10A F11 F10 128(5) .
F10A F11 C10 66(3) .
F10 F11 C10 67(2) .
F11 F10 F12A 111(4) .
F11 F10 C10 59(2) .
F12A F10 C10 58(2) .
F12A F12 F11A 113(3) .
F12A F12 C10 60.5(18) .
F11A F12 C10 55.0(19) .
F11 F10A F11A 122(4) .
F11 F10A C10 61(2) .
F11A F10A C10 63(2) .
F10A F11A C10 64(2) .
F10A F11A F12 116(4) .
C10 F11A F12 63(2) .
F12 F12A C10 71(3) .
F12 F12A F10 127(4) .
C10 F12A F10 61.7(19) .
C9 O4 Cu 125.4(5) .
N1 O01 Cu 176.7(5) 3_575
O01 N1 C07 126.3(7) .
O01 N1 C01 122.6(6) .
C07 N1 C01 110.8(6) .
N1 C01 C03 112.1(7) .
N1 C01 C04 100.3(6) .
C03 C01 C04 116.3(7) .
N1 C01 C02 107.6(7) .
C03 C01 C02 109.5(6) .
C04 C01 C02 110.6(7) .
C05 C04 N2 111.0(7) .
C05 C04 C01 118.8(7) .
N2 C04 C01 100.2(6) .
C05 C04 C06 111.0(7) .
N2 C04 C06 104.1(6) .
C01 C04 C06 110.4(6) .
O02 N2 C07 126.8(7) .
O02 N2 C04 123.2(6) .
C07 N2 C04 109.8(6) .
N1 C07 N2 109.7(7) .
N1 C07 C08 126.7(7) .
N2 C07 C08 123.6(7) .
C09 C08 N4 104.8(7) .
C09 C08 C07 130.8(7) .
N4 C08 C07 124.4(7) .
N3 C09 C08 111.1(6) .
N3 C09 Cu 30.0(3) .
C08 C09 Cu 140.9(6) .
C010 N3 C09 104.8(6) .
C010 N3 Cu 125.3(6) .
C09 N3 Cu 129.7(5) .
N4 C010 N3 111.8(7) .
N4 C010 Cu 144.6(5) .
N3 C010 Cu 32.9(4) .
C010 N4 C08 107.5(6) .
C010 N4 C011 125.5(7) .
C08 N4 C011 126.5(7) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu O3 1.935(5) .
Cu O4 1.946(4) .
Cu O1 1.947(4) .
Cu N3 1.956(6) .
Cu O2 2.239(5) .
Cu O01 2.626(5) 3_575
O1 C2 1.264(8) .
C1 F3 1.163(19) .
C1 F1 1.181(10) .
C1 F2 1.346(17) .
C1 C2 1.538(13) .
C2 C3 1.367(10) .
C3 C4 1.399(10) .
C4 O2 1.216(8) .
C4 C5 1.561(14) .
C5 F5 1.22(2) .
C5 F6 1.23(2) .
C5 F4A 1.28(3) .
C5 F4 1.32(4) .
C5 F5A 1.33(5) .
C5 F6A 1.33(4) .
F4 F5A 0.65(7) .
F4 F4A 1.60(6) .
F5 F6A 0.84(4) .
F5 F5A 1.61(6) .
F6 F4A 0.70(5) .
F6 F6A 1.68(5) .
O3 C7 1.263(8) .
C6 F9A 1.03(5) .
C6 F8A 1.22(3) .
C6 F7 1.24(3) .
C6 F7A 1.40(3) .
C6 F8 1.41(3) .
C6 F9 1.45(4) .
C6 C7 1.529(14) .
F8 F8A 1.30(3) .
F8 F9A 1.47(5) .
F7 F8A 1.02(4) .
F7 F7A 1.16(5) .
F9 F9A 0.58(7) .
C7 C8 1.360(9) .
C8 C9 1.371(9) .
C9 O4 1.231(8) .
C9 C10 1.516(12) .
C10 F11 1.22(3) .
C10 F11A 1.27(3) .
C10 F12A 1.27(3) .
C10 F10A 1.28(3) .
C10 F10 1.32(3) .
C10 F12 1.38(3) .
F11 F10A 1.11(4) .
F11 F10 1.15(3) .
F10 F12A 1.30(4) .
F12 F12A 1.10(4) .
F12 F11A 1.36(6) .
F10A F11A 1.15(5) .
O01 N1 1.279(7) .
O01 Cu 2.626(5) 3_575
N1 C07 1.327(7) .
N1 C01 1.477(9) .
C01 C03 1.500(8) .
C01 C04 1.528(9) .
C01 C02 1.540(9) .
C04 C05 1.461(9) .
C04 N2 1.501(8) .
C04 C06 1.552(9) .
N2 O02 1.259(5) .
N2 C07 1.338(8) .
C07 C08 1.427(9) .
C08 C09 1.365(8) .
C08 N4 1.383(8) .
C09 N3 1.358(8) .
N3 C010 1.334(7) .
C010 N4 1.332(7) .
N4 C011 1.463(6) .
