#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/95/7109586.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_7109586
loop_
_publ_author_name
'Lei Zhang'
'Camelia I. Onet'
'Rodolphe Clerac'
'Mathieu Rouzieres'
'Bartosz Marzec'
'Markus Boese'
'Munuswamy Venkates'
'Wolfgang Schmitt'
_publ_section_title
;
 A facile 'bottom-up' approach to prepare free-standing nano-films based
 on manganese coordination clusters
;
_journal_name_full               Chem.Commun.
_journal_page_first              7400
_journal_paper_doi               10.1039/c3cc42954g
_journal_volume                  49
_journal_year                    2013
_chemical_formula_sum            'C56 H152 Cl0.5 Mn13 O54 P10'
_chemical_formula_weight         2731.42
_chemical_name_systematic
;
?
;
_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                116.11(3)
_cell_angle_beta                 115.59(3)
_cell_angle_gamma                95.97(3)
_cell_formula_units_Z            1
_cell_length_a                   15.339(3)
_cell_length_b                   15.385(3)
_cell_length_c                   15.538(3)
_cell_measurement_temperature    150(2)
_cell_volume                     2767(2)
_computing_cell_refinement       'SMART (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX CCD'
_diffrn_measurement_method       w-scan
_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  0.0439
_diffrn_reflns_av_sigmaI/netI    0.0561
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            37901
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    1.669
_exptl_absorpt_correction_T_max  0.905
_exptl_absorpt_correction_T_min  0.852
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1997)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.639
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1404
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.631
_refine_diff_density_min         -0.929
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     596
_refine_ls_number_reflns         13713
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0754
_refine_ls_R_factor_gt           0.0535
_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)+(0.0651P)²+6.0291P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1356
_refine_ls_wR_factor_ref         0.1453
_reflns_number_gt                10396
_reflns_number_total             13713
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc42954g.txt
_cod_data_source_block           a
_cod_original_cell_volume        2767.2(19)
_cod_original_formula_sum        'C56 H152 Cl0.50 Mn13 O54 P10'
_cod_database_code               7109586
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Mn1 Mn 0.5000 1.0000 0.5000 0.01402(16) Uani 1 2 d S
Mn2 Mn 0.67933(4) 1.03544(4) 0.46234(5) 0.01546(13) Uani 1 1 d .
Mn3 Mn 0.45347(4) 0.91427(4) 0.26933(5) 0.01546(13) Uani 1 1 d .
Mn4 Mn 0.72874(4) 1.12595(4) 0.70426(5) 0.01566(13) Uani 1 1 d .
Mn5 Mn 0.65823(5) 0.86548(5) 0.66850(5) 0.02063(14) Uani 1 1 d .
Mn6 Mn 0.59852(5) 0.75688(5) 0.38020(5) 0.02033(14) Uani 1 1 d .
Mn7 Mn 0.75172(4) 1.26345(5) 0.62077(5) 0.01754(13) Uani 1 1 d .
P1 P 0.80423(8) 0.92620(8) 0.60028(8) 0.0177(2) Uani 1 1 d .
P2 P 0.62174(8) 0.83933(8) 0.24305(8) 0.0182(2) Uani 1 1 d .
P3 P 0.56665(8) 1.17368(8) 0.36251(9) 0.0183(2) Uani 1 1 d .
P4 P 0.34900(8) 0.67389(8) 0.22939(8) 0.0178(2) Uani 1 1 d .
P5 P 0.24875(8) 0.92155(9) 0.11804(8) 0.0207(2) Uani 1 1 d .
Cl1A Cl 0.0000 0.5000 0.5000 0.060(2) Uiso 0.25 2 d SP
Cl1B Cl -0.0749(18) 0.3941(17) 0.3901(19) 0.107(6) Uiso 0.13 1 d P
O1 O 0.3970(2) 0.9850(2) 0.3579(2) 0.0166(5) Uani 1 1 d .
O1W O 0.7245(3) 0.5869(3) 0.5311(3) 0.0447(9) Uani 1 1 d .
O2 O 0.6522(2) 1.1265(2) 0.5697(2) 0.0200(6) Uani 1 1 d .
O2W O 0.3643(4) 0.5421(3) 0.4409(4) 0.0572(11) Uani 1 1 d .
O3 O 0.5555(2) 0.9276(2) 0.4076(2) 0.0173(5) Uani 1 1 d .
O3W O 0.0027(5) -0.4238(5) 0.3823(6) 0.103(2) Uiso 1 1 d .
O4 O 0.7880(2) 1.1615(2) 0.5249(3) 0.0246(6) Uani 1 1 d .
O5 O 0.7844(2) 1.0230(2) 0.6058(2) 0.0208(6) Uani 1 1 d .
O6 O 0.7043(2) 0.9427(2) 0.3519(2) 0.0186(6) Uani 1 1 d .
O7 O 0.5678(2) 1.0679(2) 0.3430(2) 0.0183(5) Uani 1 1 d .
O8 O 0.3468(2) 0.8986(2) 0.1339(2) 0.0191(6) Uani 1 1 d .
O9 O 0.5166(2) 0.8496(2) 0.1889(2) 0.0191(6) Uani 1 1 d .
O10 O 0.3474(2) 0.7724(2) 0.2297(2) 0.0199(6) Uani 1 1 d .
O11 O 0.1968(2) 0.8740(2) 0.1602(2) 0.0224(6) Uani 1 1 d .
O12 O 0.8338(2) 1.2443(2) 0.7505(3) 0.0285(7) Uani 1 1 d .
O13 O 0.7828(2) 0.9051(2) 0.6778(2) 0.0218(6) Uani 1 1 d .
O14 O 0.5838(2) 0.7792(2) 0.5048(2) 0.0239(6) Uani 1 1 d .
O15 O 0.2718(2) 1.0384(2) 0.1739(2) 0.0242(6) Uani 1 1 d .
O16 O 0.4627(3) 1.1835(3) 0.3394(3) 0.0342(8) Uani 1 1 d .
O17 O 0.6993(3) 0.7386(3) 0.6887(3) 0.0331(7) Uani 1 1 d .
O18 O 0.7407(2) 0.8323(2) 0.4783(2) 0.0218(6) Uani 1 1 d .
O19 O 0.4587(2) 0.6716(2) 0.2813(2) 0.0242(6) Uani 1 1 d .
O20 O 0.6113(2) 0.7507(2) 0.2625(2) 0.0224(6) Uani 1 1 d .
O22 O 0.6357(3) 0.6159(2) 0.3556(3) 0.0359(8) Uani 1 1 d .
O23 O 0.3011(2) 0.6550(2) 0.2910(3) 0.0263(6) Uani 1 1 d .
O24 O 0.6505(3) 1.2640(2) 0.4833(3) 0.0299(7) Uani 1 1 d .
O25 O 0.8672(3) 1.3880(3) 0.6754(3) 0.0387(8) Uani 1 1 d .
C1 C 0.3318(4) 0.5778(4) 0.0255(4) 0.0419(13) Uani 1 1 d .
H1A H 0.2945 0.5206 -0.0521 0.063 Uiso 1 1 calc R
H1B H 0.4011 0.5794 0.0640 0.063 Uiso 1 1 calc R
H1C H 0.3342 0.6416 0.0282 0.063 Uiso 1 1 calc R
C1W C 0.8207(5) 0.5707(5) 0.5484(7) 0.0614(18) Uani 1 1 d .
C2 C 0.5781(4) 0.7046(4) 0.0306(4) 0.0379(12) Uani 1 1 d .
H2A H 0.5995 0.6849 -0.0228 0.057 Uiso 1 1 calc R
H2B H 0.5151 0.7176 0.0014 0.057 Uiso 1 1 calc R
H2C H 0.5666 0.6495 0.0426 0.057 Uiso 1 1 calc R
C2W C 0.4326(4) 0.5282(5) 0.4013(5) 0.0451(13) Uani 1 1 d .
C3 C 0.1668(4) 0.5639(4) 0.0237(4) 0.0391(12) Uani 1 1 d .
H3A H 0.1280 0.5064 -0.0538 0.059 Uiso 1 1 calc R
H3B H 0.1700 0.6276 0.0260 0.059 Uiso 1 1 calc R
H3C H 0.1332 0.5573 0.0614 0.059 Uiso 1 1 calc R
C3W C -0.0962(9) -0.4222(9) 0.3128(9) 0.108(3) Uiso 1 1 d .
C4 C 0.2065(4) 0.9119(5) -0.0752(4) 0.0407(13) Uani 1 1 d .
H4A H 0.1593 0.8817 -0.1548 0.061 Uiso 1 1 calc R
H4B H 0.2697 0.8995 -0.0627 0.061 Uiso 1 1 calc R
H4C H 0.2215 0.9854 -0.0350 0.061 Uiso 1 1 calc R
C5 C 0.9676(4) 0.9743(4) 0.5822(4) 0.0373(11) Uani 1 1 d .
H5A H 1.0388 0.9831 0.6067 0.056 Uiso 1 1 calc R
H5B H 0.9582 1.0387 0.5952 0.056 Uiso 1 1 calc R
H5C H 0.9240 0.9216 0.5027 0.056 Uiso 1 1 calc R
C6 C 0.9504(4) 0.8379(4) 0.6261(4) 0.0350(11) Uani 1 1 d .
H6A H 1.0214 0.8449 0.6512 0.053 Uiso 1 1 calc R
H6B H 0.9069 0.7862 0.5463 0.053 Uiso 1 1 calc R
H6C H 0.9301 0.8174 0.6668 0.053 Uiso 1 1 calc R
C7 C 0.5041(5) 1.0972(4) 0.1435(4) 0.0493(15) Uani 1 1 d .
H7A H 0.5132 1.1036 0.0889 0.074 Uiso 1 1 calc R
H7B H 0.4365 1.0965 0.1293 0.074 Uiso 1 1 calc R
H7C H 0.5107 1.0337 0.1375 0.074 Uiso 1 1 calc R
C8 C 0.2718(4) 0.4633(3) 0.0793(4) 0.0381(12) Uani 1 1 d .
H8A H 0.2335 0.4060 0.0017 0.057 Uiso 1 1 calc R
H8B H 0.2378 0.4562 0.1166 0.057 Uiso 1 1 calc R
H8C H 0.3408 0.4640 0.1171 0.057 Uiso 1 1 calc R
C9 C 0.5775(5) 1.2908(4) 0.2724(5) 0.0451(13) Uani 1 1 d .
H9A H 0.5883 1.2975 0.2188 0.068 Uiso 1 1 calc R
H9B H 0.6287 1.3484 0.3478 0.068 Uiso 1 1 calc R
H9C H 0.5095 1.2902 0.2566 0.068 Uiso 1 1 calc R
C10 C 0.0592(4) 0.8852(6) -0.0481(5) 0.062(2) Uani 1 1 d .
H10A H 0.0099 0.8550 -0.1273 0.092 Uiso 1 1 calc R
H10B H 0.0754 0.9589 -0.0077 0.092 Uiso 1 1 calc R
H10C H 0.0302 0.8555 -0.0192 0.092 Uiso 1 1 calc R
C11 C 0.6945(5) 1.1896(5) 0.2878(6) 0.0539(16) Uani 1 1 d .
H11A H 0.7060 1.1977 0.2353 0.081 Uiso 1 1 calc R
H11B H 0.6996 1.1253 0.2801 0.081 Uiso 1 1 calc R
H11C H 0.7458 1.2462 0.3638 0.081 Uiso 1 1 calc R
C12 C 0.9410(4) 1.2724(5) 0.8191(6) 0.0539(17) Uani 1 1 d .
H12A H 0.9551 1.2522 0.8726 0.081 Uiso 1 1 calc R
H12B H 0.9743 1.3463 0.8591 0.081 Uiso 1 1 calc R
H12C H 0.9672 1.2381 0.7725 0.081 Uiso 1 1 calc R
C13 C 0.1334(6) 0.7460(5) -0.0946(5) 0.077(3) Uani 1 1 d .
H13A H 0.0854 0.7146 -0.1744 0.115 Uiso 1 1 calc R
H13B H 0.1033 0.7171 -0.0659 0.115 Uiso 1 1 calc R
H13C H 0.1962 0.7329 -0.0824 0.115 Uiso 1 1 calc R
C14 C 0.7634(4) 0.7819(4) 0.1920(4) 0.0328(10) Uani 1 1 d .
H14A H 0.7864 0.7625 0.1400 0.049 Uiso 1 1 calc R
H14B H 0.7504 0.7265 0.2032 0.049 Uiso 1 1 calc R
H14C H 0.8161 0.8435 0.2633 0.049 Uiso 1 1 calc R
C15 C 1.0070(3) 1.0257(4) 0.7761(4) 0.0314(10) Uani 1 1 d .
H15A H 1.0785 1.0344 0.8021 0.047 Uiso 1 1 calc R
H15B H 0.9870 1.0045 0.8165 0.047 Uiso 1 1 calc R
H15C H 0.9980 1.0902 0.7892 0.047 Uiso 1 1 calc R
C16 C 0.6826(4) 0.8916(4) 0.1260(4) 0.0350(11) Uani 1 1 d .
H16A H 0.7044 0.8725 0.0730 0.052 Uiso 1 1 calc R
H16B H 0.7359 0.9529 0.1972 0.052 Uiso 1 1 calc R
H16C H 0.6199 0.9051 0.0969 0.052 Uiso 1 1 calc R
C17 C 0.7560(6) 0.7524(5) 0.7979(6) 0.0642(19) Uani 1 1 d .
H17A H 0.7663 0.6892 0.7891 0.096 Uiso 1 1 calc R
H17B H 0.7176 0.7696 0.8342 0.096 Uiso 1 1 calc R
H17C H 0.8221 0.8076 0.8437 0.096 Uiso 1 1 calc R
C18 C 0.9388(3) 0.9420(3) 0.6483(3) 0.0223(8) Uani 1 1 d .
C19 C 0.6630(3) 0.8032(3) 0.1432(4) 0.0242(9) Uani 1 1 d .
C20 C 0.2768(3) 0.5647(3) 0.0834(4) 0.0268(9) Uani 1 1 d .
C21 C 0.5869(4) 1.1892(4) 0.2629(4) 0.0281(9) Uani 1 1 d .
C22 C 0.5962(6) 0.5267(5) 0.2520(6) 0.068(2) Uani 1 1 d .
H22A H 0.6233 0.4763 0.2628 0.102 Uiso 1 1 calc R
H22B H 0.6157 0.5419 0.2078 0.102 Uiso 1 1 calc R
H22C H 0.5219 0.4994 0.2131 0.102 Uiso 1 1 calc R
C23 C 0.8751(4) 1.1711(4) 0.5172(6) 0.0516(16) Uani 1 1 d .
H23A H 0.8674 1.1049 0.4607 0.077 Uiso 1 1 calc R
H23B H 0.9357 1.1946 0.5892 0.077 Uiso 1 1 calc R
H23C H 0.8823 1.2204 0.4964 0.077 Uiso 1 1 calc R
C24 C 0.1579(3) 0.8633(4) -0.0327(4) 0.0308(10) Uani 1 1 d .
C25 C 0.8937(5) 1.4904(5) 0.7663(5) 0.0500(14) Uani 1 1 d .
H25A H 0.9502 1.5382 0.7790 0.075 Uiso 1 1 calc R
H25B H 0.9139 1.4904 0.8340 0.075 Uiso 1 1 calc R
H25C H 0.8347 1.5112 0.7466 0.075 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'
Mn Mn 0.3368 0.7283 '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'
Cl Cl 0.1484 0.1585 '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
O3 Mn1 O3 180.00(15) . 2_676
O3 Mn1 O1 82.28(11) . .
O3 Mn1 O1 97.72(11) 2_676 .
O3 Mn1 O1 97.72(11) . 2_676
O3 Mn1 O1 82.28(11) 2_676 2_676
O1 Mn1 O1 180.000(1) . 2_676
O3 Mn1 O2 104.82(11) . 2_676
O3 Mn1 O2 75.18(11) 2_676 2_676
O1 Mn1 O2 75.03(11) . 2_676
O1 Mn1 O2 104.97(11) 2_676 2_676
O3 Mn1 O2 75.18(11) . .
O3 Mn1 O2 104.82(11) 2_676 .
O1 Mn1 O2 104.97(11) . .
O1 Mn1 O2 75.03(11) 2_676 .
O2 Mn1 O2 180.000(1) 2_676 .
O3 Mn1 Mn3 138.82(8) . 2_676
O3 Mn1 Mn3 41.18(8) 2_676 2_676
O1 Mn1 Mn3 138.90(8) . 2_676
O1 Mn1 Mn3 41.10(8) 2_676 2_676
O2 Mn1 Mn3 90.03(8) 2_676 2_676
O2 Mn1 Mn3 89.97(8) . 2_676
O3 Mn1 Mn3 41.18(8) . .
O3 Mn1 Mn3 138.82(8) 2_676 .
O1 Mn1 Mn3 41.10(8) . .
O1 Mn1 Mn3 138.90(8) 2_676 .
O2 Mn1 Mn3 89.97(8) 2_676 .
O2 Mn1 Mn3 90.03(8) . .
Mn3 Mn1 Mn3 180.0 2_676 .
O3 Mn1 Mn2 37.58(8) . .
O3 Mn1 Mn2 142.42(8) 2_676 .
O1 Mn1 Mn2 93.11(8) . .
O1 Mn1 Mn2 86.89(8) 2_676 .
O2 Mn1 Mn2 142.36(7) 2_676 .
O2 Mn1 Mn2 37.64(7) . .
Mn3 Mn1 Mn2 119.38(4) 2_676 .
Mn3 Mn1 Mn2 60.62(4) . .
O3 Mn1 Mn2 142.42(8) . 2_676
O3 Mn1 Mn2 37.58(8) 2_676 2_676
O1 Mn1 Mn2 86.89(8) . 2_676
O1 Mn1 Mn2 93.11(8) 2_676 2_676
O2 Mn1 Mn2 37.64(7) 2_676 2_676
O2 Mn1 Mn2 142.36(7) . 2_676
Mn3 Mn1 Mn2 60.62(4) 2_676 2_676
Mn3 Mn1 Mn2 119.38(4) . 2_676
Mn2 Mn1 Mn2 180.0 . 2_676
O3 Mn1 Mn4 92.77(9) . 2_676
O3 Mn1 Mn4 87.23(9) 2_676 2_676
O1 Mn1 Mn4 37.36(8) . 2_676
O1 Mn1 Mn4 142.64(8) 2_676 2_676
O2 Mn1 Mn4 37.74(7) 2_676 2_676
O2 Mn1 Mn4 142.26(7) . 2_676
Mn3 Mn1 Mn4 119.68(4) 2_676 2_676
Mn3 Mn1 Mn4 60.32(4) . 2_676
Mn2 Mn1 Mn4 120.94(3) . 2_676
Mn2 Mn1 Mn4 59.06(3) 2_676 2_676
O3 Mn1 Mn4 87.23(9) . .
O3 Mn1 Mn4 92.77(9) 2_676 .
O1 Mn1 Mn4 142.64(8) . .
O1 Mn1 Mn4 37.36(8) 2_676 .
O2 Mn1 Mn4 142.26(7) 2_676 .
O2 Mn1 Mn4 37.74(7) . .
Mn3 Mn1 Mn4 60.32(4) 2_676 .
Mn3 Mn1 Mn4 119.68(4) . .
Mn2 Mn1 Mn4 59.06(3) . .
Mn2 Mn1 Mn4 120.94(3) 2_676 .
Mn4 Mn1 Mn4 180.0 2_676 .
O2 Mn2 O6 179.03(12) . .
O2 Mn2 O4 83.15(13) . .
O6 Mn2 O4 97.42(13) . .
O2 Mn2 O3 86.73(13) . .
O6 Mn2 O3 92.62(12) . .
O4 Mn2 O3 168.36(12) . .
O2 Mn2 O7 86.35(11) . .
O6 Mn2 O7 92.85(11) . .
O4 Mn2 O7 90.07(12) . .
O3 Mn2 O7 83.54(11) . .
O2 Mn2 O5 82.59(11) . .
O6 Mn2 O5 98.21(11) . .
O4 Mn2 O5 88.84(13) . .
O3 Mn2 O5 95.56(12) . .
O7 Mn2 O5 168.94(10) . .
O2 Mn2 Mn7 43.21(9) . .
O6 Mn2 Mn7 137.24(9) . .
O4 Mn2 Mn7 40.52(9) . .
O3 Mn2 Mn7 128.50(9) . .
O7 Mn2 Mn7 82.25(9) . .
O5 Mn2 Mn7 89.80(9) . .
O2 Mn2 Mn3 95.73(10) . .
O6 Mn2 Mn3 83.31(9) . .
O4 Mn2 Mn3 137.11(10) . .
O3 Mn2 Mn3 38.41(8) . .
O7 Mn2 Mn3 47.22(7) . .
O5 Mn2 Mn3 133.72(8) . .
Mn7 Mn2 Mn3 120.04(5) . .
O2 Mn2 Mn4 36.64(8) . .
O6 Mn2 Mn4 144.12(9) . .
O4 Mn2 Mn4 86.17(10) . .
O3 Mn2 Mn4 89.15(9) . .
O7 Mn2 Mn4 122.92(8) . .
O5 Mn2 Mn4 46.02(8) . .
Mn7 Mn2 Mn4 59.42(4) . .
Mn3 Mn2 Mn4 117.69(5) . .
O2 Mn2 Mn1 48.74(10) . .
O6 Mn2 Mn1 130.58(9) . .
O4 Mn2 Mn1 131.32(9) . .
O3 Mn2 Mn1 38.05(8) . .
O7 Mn2 Mn1 81.14(8) . .
O5 Mn2 Mn1 91.33(8) . .
Mn7 Mn2 Mn1 90.80(4) . .
Mn3 Mn2 Mn1 56.88(3) . .
Mn4 Mn2 Mn1 60.80(4) . .
O9 Mn3 O8 88.69(12) . .
O9 Mn3 O1 176.88(12) . .
O8 Mn3 O1 93.69(12) . .
O9 Mn3 O3 93.62(12) . .
O8 Mn3 O3 176.79(12) . .
O1 Mn3 O3 84.08(11) . .
O9 Mn3 O7 88.29(12) . .
O8 Mn3 O7 99.31(12) . .
O1 Mn3 O7 89.34(11) . .
O3 Mn3 O7 82.99(12) . .
O9 Mn3 O10 99.07(12) . .
O8 Mn3 O10 89.01(12) . .
O1 Mn3 O10 83.00(11) . .
O3 Mn3 O10 88.43(12) . .
O7 Mn3 O10 169.06(10) . .
O9 Mn3 Mn1 135.57(8) . .
O8 Mn3 Mn1 135.74(9) . .
O1 Mn3 Mn1 42.09(8) . .
O3 Mn3 Mn1 41.99(8) . .
O7 Mn3 Mn1 84.75(9) . .
O10 Mn3 Mn1 84.33(9) . .
O9 Mn3 Mn4 143.74(9) . 2_676
O8 Mn3 Mn4 81.03(9) . 2_676
O1 Mn3 Mn4 38.92(8) . 2_676
O3 Mn3 Mn4 95.80(9) . 2_676
O7 Mn3 Mn4 127.58(8) . 2_676
O10 Mn3 Mn4 46.47(7) . 2_676
Mn1 Mn3 Mn4 62.98(5) . 2_676
O9 Mn3 Mn2 81.31(9) . .
O8 Mn3 Mn2 144.17(9) . .
O1 Mn3 Mn2 95.58(9) . .
O3 Mn3 Mn2 38.65(8) . .
O7 Mn3 Mn2 46.42(8) . .
O10 Mn3 Mn2 126.43(8) . .
Mn1 Mn3 Mn2 62.50(4) . .
Mn4 Mn3 Mn2 125.48(3) 2_676 .
O2 Mn4 O11 178.77(12) . 2_676
O2 Mn4 O12 84.76(14) . .
O11 Mn4 O12 95.79(14) 2_676 .
O2 Mn4 O1 85.94(13) . 2_676
O11 Mn4 O1 93.40(13) 2_676 2_676
O12 Mn4 O1 169.01(13) . 2_676
O2 Mn4 O5 82.73(11) . .
O11 Mn4 O5 98.36(12) 2_676 .
O12 Mn4 O5 89.72(13) . .
O1 Mn4 O5 94.91(11) 2_676 .
O2 Mn4 O10 85.50(11) . 2_676
O11 Mn4 O10 93.40(12) 2_676 2_676
O12 Mn4 O10 90.08(13) . 2_676
O1 Mn4 O10 83.36(11) 2_676 2_676
O5 Mn4 O10 168.20(10) . 2_676
O2 Mn4 Mn7 42.84(10) . .
O11 Mn4 Mn7 137.55(10) 2_676 .
O12 Mn4 Mn7 42.36(10) . .
O1 Mn4 Mn7 127.53(8) 2_676 .
O5 Mn4 Mn7 89.70(8) . .
O10 Mn4 Mn7 82.23(8) 2_676 .
O2 Mn4 Mn3 95.37(9) . 2_676
O11 Mn4 Mn3 83.48(9) 2_676 2_676
O12 Mn4 Mn3 137.04(10) . 2_676
O1 Mn4 Mn3 38.42(8) 2_676 2_676
O5 Mn4 Mn3 133.04(8) . 2_676
O10 Mn4 Mn3 47.33(8) 2_676 2_676
Mn7 Mn4 Mn3 120.11(3) . 2_676
O2 Mn4 Mn2 36.26(8) . .
O11 Mn4 Mn2 144.80(9) 2_676 .
O12 Mn4 Mn2 87.83(11) . .
O1 Mn4 Mn2 88.14(9) 2_676 .
O5 Mn4 Mn2 46.55(7) . .
O10 Mn4 Mn2 121.66(8) 2_676 .
Mn7 Mn4 Mn2 58.83(4) . .
Mn3 Mn4 Mn2 116.83(5) 2_676 .
O2 Mn4 Mn1 48.29(9) . .
O11 Mn4 Mn1 131.00(9) 2_676 .
O12 Mn4 Mn1 132.41(10) . .
O1 Mn4 Mn1 37.73(8) 2_676 .
O5 Mn4 Mn1 91.17(8) . .
O10 Mn4 Mn1 80.30(8) 2_676 .
Mn7 Mn4 Mn1 90.07(4) . .
Mn3 Mn4 Mn1 56.69(3) 2_676 .
Mn2 Mn4 Mn1 60.14(4) . .
O16 Mn5 O13 174.89(13) 2_676 .
O16 Mn5 O15 92.06(16) 2_676 2_676
O13 Mn5 O15 88.29(14) . 2_676
O16 Mn5 O14 88.85(15) 2_676 .
O13 Mn5 O14 91.35(13) . .
O15 Mn5 O14 173.77(13) 2_676 .
O16 Mn5 O17 86.96(13) 2_676 .
O13 Mn5 O17 87.93(13) . .
O15 Mn5 O17 93.18(13) 2_676 .
O14 Mn5 O17 93.02(13) . .
O18 Mn6 O19 175.21(13) . .
O18 Mn6 O20 88.04(13) . .
O19 Mn6 O20 92.69(14) . .
O18 Mn6 O14 91.44(13) . .
O19 Mn6 O14 88.40(13) . .
O20 Mn6 O14 173.07(13) . .
O18 Mn6 O22 87.20(13) . .
O19 Mn6 O22 88.03(13) . .
O20 Mn6 O22 92.92(13) . .
O14 Mn6 O22 93.96(13) . .
O23 Mn7 O4 170.65(12) 2_676 .
O23 Mn7 O25 94.57(14) 2_676 .
O4 Mn7 O25 94.75(14) . .
O23 Mn7 O24 91.61(14) 2_676 .
O4 Mn7 O24 88.59(13) . .
O25 Mn7 O24 93.30(14) . .
O23 Mn7 O12 86.97(13) 2_676 .
O4 Mn7 O12 91.36(13) . .
O25 Mn7 O12 95.77(14) . .
O24 Mn7 O12 170.91(12) . .
O23 Mn7 O2 92.00(12) 2_676 .
O4 Mn7 O2 78.65(12) . .
O25 Mn7 O2 170.84(13) . .
O24 Mn7 O2 92.89(13) . .
O12 Mn7 O2 78.20(12) . .
O23 Mn7 Mn2 130.66(9) 2_676 .
O4 Mn7 Mn2 40.04(9) . .
O25 Mn7 Mn2 134.77(11) . .
O24 Mn7 Mn2 85.97(10) . .
O12 Mn7 Mn2 88.15(10) . .
O2 Mn7 Mn2 39.15(8) . .
O23 Mn7 Mn4 85.07(9) 2_676 .
O4 Mn7 Mn4 87.80(9) . .
O25 Mn7 Mn4 135.10(11) . .
O24 Mn7 Mn4 131.60(10) . .
O12 Mn7 Mn4 39.34(9) . .
O2 Mn7 Mn4 39.26(8) . .
Mn2 Mn7 Mn4 61.75(3) . .
O5 P1 O13 111.33(16) . .
O5 P1 O18 110.85(16) . .
O13 P1 O18 111.25(17) . .
O5 P1 C18 111.05(19) . .
O13 P1 C18 106.18(18) . .
O18 P1 C18 105.95(18) . .
O9 P2 O20 110.32(17) . .
O9 P2 O6 111.53(16) . .
O20 P2 O6 112.50(16) . .
O9 P2 C19 108.02(18) . .
O20 P2 C19 106.37(18) . .
O6 P2 C19 107.84(18) . .
O16 P3 O7 112.34(17) . .
O16 P3 O24 108.0(2) . .
O7 P3 O24 112.89(17) . .
O16 P3 C21 105.8(2) . .
O7 P3 C21 108.79(19) . .
O24 P3 C21 108.7(2) . .
O10 P4 O19 112.52(17) . .
O10 P4 O23 113.58(16) . .
O19 P4 O23 108.01(17) . .
O10 P4 C20 108.35(19) . .
O19 P4 C20 105.63(19) . .
O23 P4 C20 108.4(2) . .
O8 P5 O15 110.64(17) . .
O8 P5 O11 111.42(16) . .
O15 P5 O11 112.37(17) . .
O8 P5 C24 108.25(19) . .
O15 P5 C24 106.0(2) . .
O11 P5 C24 107.9(2) . .
Cl1B Cl1A Cl1B 180.000(5) . 2_566
Mn3 O1 Mn4 102.66(13) . 2_676
Mn3 O1 Mn1 96.81(12) . .
Mn4 O1 Mn1 104.91(13) 2_676 .
Mn2 O2 Mn4 107.10(13) . .
Mn2 O2 Mn7 97.64(13) . .
Mn4 O2 Mn7 97.90(13) . .
Mn2 O2 Mn1 93.61(12) . .
Mn4 O2 Mn1 93.98(12) . .
Mn7 O2 Mn1 160.45(13) . .
Mn3 O3 Mn2 102.94(13) . .
Mn3 O3 Mn1 96.83(12) . .
Mn2 O3 Mn1 104.37(13) . .
C23 O4 Mn2 128.2(3) . .
C23 O4 Mn7 131.5(3) . .
Mn2 O4 Mn7 99.44(13) . .
P1 O5 Mn4 128.81(17) . .
P1 O5 Mn2 127.47(17) . .
Mn4 O5 Mn2 87.44(10) . .
P2 O6 Mn2 123.96(17) . .
P3 O7 Mn2 127.47(16) . .
P3 O7 Mn3 137.64(16) . .
Mn2 O7 Mn3 86.37(10) . .
P5 O8 Mn3 125.21(16) . .
P2 O9 Mn3 124.47(16) . .
P4 O10 Mn4 124.98(16) . 2_676
P4 O10 Mn3 140.25(17) . .
Mn4 O10 Mn3 86.20(10) 2_676 .
P5 O11 Mn4 123.90(17) . 2_676
C12 O12 Mn4 126.1(3) . .
C12 O12 Mn7 129.9(3) . .
Mn4 O12 Mn7 98.31(14) . .
P1 O13 Mn5 130.30(17) . .
Mn6 O14 Mn5 140.73(16) . .
P5 O15 Mn5 124.42(17) . 2_676
P3 O16 Mn5 145.1(2) . 2_676
C17 O17 Mn5 121.9(3) . .
P1 O18 Mn6 131.35(18) . .
P4 O19 Mn6 142.77(18) . .
P2 O20 Mn6 125.36(18) . .
C22 O22 Mn6 124.6(3) . .
P4 O23 Mn7 133.04(18) . 2_676
P3 O24 Mn7 130.52(18) . .
C25 O25 Mn7 122.4(3) . .
C20 C1 H1A 109.5 . .
C20 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C20 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C19 C2 H2A 109.5 . .
C19 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C19 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
C20 C3 H3A 109.5 . .
C20 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C20 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C24 C4 H4A 109.5 . .
C24 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C24 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C18 C5 H5A 109.5 . .
C18 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C18 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C18 C6 H6A 109.5 . .
C18 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C18 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C21 C7 H7A 109.5 . .
C21 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C21 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C20 C8 H8A 109.5 . .
C20 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C20 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C21 C9 H9A 109.5 . .
C21 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C21 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C24 C10 H10A 109.5 . .
C24 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C24 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C21 C11 H11A 109.5 . .
C21 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C21 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
O12 C12 H12A 109.5 . .
O12 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
O12 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C24 C13 H13A 109.5 . .
C24 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C24 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C19 C14 H14A 109.5 . .
C19 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C19 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C18 C15 H15A 109.5 . .
C18 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C18 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C19 C16 H16A 109.5 . .
C19 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C19 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
O17 C17 H17A 109.5 . .
O17 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
O17 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C5 C18 C6 110.2(4) . .
C5 C18 C15 110.6(4) . .
C6 C18 C15 110.2(4) . .
C5 C18 P1 108.4(3) . .
C6 C18 P1 108.3(3) . .
C15 C18 P1 109.0(3) . .
C16 C19 C2 110.3(4) . .
C16 C19 C14 110.1(4) . .
C2 C19 C14 109.7(4) . .
C16 C19 P2 109.4(3) . .
C2 C19 P2 109.0(3) . .
C14 C19 P2 108.4(3) . .
C8 C20 C1 110.2(4) . .
C8 C20 C3 109.5(4) . .
C1 C20 C3 109.8(4) . .
C8 C20 P4 110.1(3) . .
C1 C20 P4 108.3(3) . .
C3 C20 P4 108.9(3) . .
C11 C21 C7 110.1(5) . .
C11 C21 C9 109.7(5) . .
C7 C21 C9 109.6(4) . .
C11 C21 P3 108.8(3) . .
C7 C21 P3 107.8(3) . .
C9 C21 P3 110.8(3) . .
O22 C22 H22A 109.5 . .
O22 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
O22 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
O4 C23 H23A 109.5 . .
O4 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
O4 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C4 C24 C10 110.4(4) . .
C4 C24 C13 111.0(5) . .
C10 C24 C13 109.9(5) . .
C4 C24 P5 108.7(3) . .
C10 C24 P5 108.0(4) . .
C13 C24 P5 108.8(3) . .
O25 C25 H25A 109.5 . .
O25 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
O25 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O3 1.968(3) .
Mn1 O3 1.968(3) 2_676
Mn1 O1 1.971(3) .
Mn1 O1 1.971(3) 2_676
Mn1 O2 2.330(3) 2_676
Mn1 O2 2.330(3) .
Mn1 Mn3 2.9206(12) 2_676
Mn1 Mn3 2.9206(12) .
Mn1 Mn2 3.0929(8) .
Mn1 Mn2 3.0929(8) 2_676
Mn1 Mn4 3.113(2) 2_676
Mn1 Mn4 3.113(2) .
Mn2 O2 1.893(3) .
Mn2 O6 1.912(3) .
Mn2 O4 1.937(3) .
Mn2 O3 1.947(3) .
Mn2 O7 2.205(3) .
Mn2 O5 2.223(3) .
Mn2 Mn7 2.9712(19) .
Mn2 Mn3 3.039(2) .
Mn2 Mn4 3.0589(14) .
Mn3 O9 1.909(3) .
Mn3 O8 1.913(3) .
Mn3 O1 1.934(3) .
Mn3 O3 1.937(3) .
Mn3 O7 2.235(3) .
Mn3 O10 2.237(3) .
Mn3 Mn4 3.0361(10) 2_676
Mn4 O2 1.910(3) .
Mn4 O11 1.913(3) 2_676
Mn4 O12 1.915(3) .
Mn4 O1 1.955(3) 2_676
Mn4 O5 2.203(3) .
Mn4 O10 2.206(3) 2_676
Mn4 Mn7 2.9896(10) .
Mn4 Mn3 3.0361(10) 2_676
Mn5 O16 1.858(3) 2_676
Mn5 O13 1.867(3) .
Mn5 O15 1.884(3) 2_676
Mn5 O14 1.934(3) .
Mn5 O17 2.220(3) .
Mn6 O18 1.864(3) .
Mn6 O19 1.865(3) .
Mn6 O20 1.884(3) .
Mn6 O14 1.931(3) .
Mn6 O22 2.211(3) .
Mn7 O23 1.940(3) 2_676
Mn7 O4 1.957(3) .
Mn7 O25 2.024(4) .
Mn7 O24 2.032(3) .
Mn7 O12 2.036(3) .
Mn7 O2 2.052(3) .
P1 O5 1.523(3) .
P1 O13 1.526(3) .
P1 O18 1.527(3) .
P1 C18 1.812(4) .
P2 O9 1.527(3) .
P2 O20 1.528(3) .
P2 O6 1.535(3) .
P2 C19 1.811(4) .
P3 O16 1.516(3) .
P3 O7 1.523(3) .
P3 O24 1.534(3) .
P3 C21 1.810(4) .
P4 O10 1.516(3) .
P4 O19 1.532(3) .
P4 O23 1.534(3) .
P4 C20 1.812(4) .
P5 O8 1.521(3) .
P5 O15 1.530(3) .
P5 O11 1.533(3) .
P5 C24 1.818(4) .
Cl1A Cl1B 1.54(2) .
Cl1A Cl1B 1.54(2) 2_566
O1 Mn4 1.955(3) 2_676
O1W C1W 1.451(7) .
O2W C2W 1.419(7) .
O3W C3W 1.444(12) .
O4 C23 1.391(6) .
O10 Mn4 2.206(3) 2_676
O11 Mn4 1.913(3) 2_676
O12 C12 1.400(6) .
O15 Mn5 1.884(3) 2_676
O16 Mn5 1.858(3) 2_676
O17 C17 1.433(7) .
O22 C22 1.372(7) .
O23 Mn7 1.940(3) 2_676
O25 C25 1.433(7) .
C1 C20 1.530(7) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 C19 1.531(6) .
C2 H2A 0.9600 .
C2 H2B 0.9600 .
C2 H2C 0.9600 .
C3 C20 1.532(6) .
C3 H3A 0.9600 .
C3 H3B 0.9600 .
C3 H3C 0.9600 .
C4 C24 1.515(7) .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 C18 1.515(6) .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C6 C18 1.529(6) .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 C21 1.529(7) .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 C20 1.524(6) .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 C21 1.532(7) .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 C24 1.525(7) .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 C21 1.523(7) .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C24 1.530(8) .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 C19 1.539(6) .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 C18 1.539(6) .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 C19 1.521(6) .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
