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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/24/4062424.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_4062424
loop_
_publ_author_name
'Kerstin Most, Nadia C. Moesch-Zanetti, Denis Vidovic, Joerg Magull'
_publ_section_title
;
Syntheses and structures of two molybdenum(IV)complexes
 with the ancillary ligands 3,5-dimethylpyrazole and
 3,5-di-tert-butylpyrazole. Contrasting coordination modes and
 C-H activation in NMe2'
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C35 H63 Mo N7'
_chemical_formula_sum            'C35 H63 Mo N7'
_chemical_formula_weight         677.86
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.11(3)
_cell_angle_beta                 103.56(3)
_cell_angle_gamma                108.67(3)
_cell_formula_units_Z            2
_cell_length_a                   9.897(2)
_cell_length_b                   10.588(2)
_cell_length_c                   19.985(4)
_cell_measurement_temperature    133(2)
_cell_volume                     1918.7(7)
_diffrn_ambient_temperature      133(2)
_exptl_crystal_density_diffrn    1.173
_cod_database_code               4062424
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.79443(3) 0.35942(3) 0.765813(15) 0.04480(11) Uani 1 1 d . . .
N1 N 0.5735(3) 0.2774(3) 0.76824(13) 0.0489(6) Uani 1 1 d . . .
N2 N 0.6031(3) 0.2961(3) 0.83964(14) 0.0511(7) Uani 1 1 d . . .
N3 N 0.7785(3) 0.3677(3) 0.66121(15) 0.0522(7) Uani 1 1 d . . .
N4 N 0.7503(3) 0.4811(3) 0.68093(14) 0.0476(6) Uani 1 1 d . . .
N5 N 1.0117(3) 0.5047(3) 0.80333(16) 0.0582(7) Uani 1 1 d . . .
N6 N 0.9151(3) 0.5219(3) 0.84025(16) 0.0568(7) Uani 1 1 d . . .
N7 N 0.8315(3) 0.1972(3) 0.78948(17) 0.0597(8) Uani 1 1 d . . .
C1 C 0.4324(4) 0.1949(3) 0.74138(17) 0.0494(8) Uani 1 1 d . A .
C2 C 0.3693(4) 0.1597(4) 0.79654(18) 0.0528(8) Uani 1 1 d . . .
H2B H 0.2713 0.1036 0.7940 0.063 Uiso 1 1 calc R . .
C3 C 0.4792(4) 0.2235(3) 0.85662(17) 0.0528(8) Uani 1 1 d . B .
C4 C 0.3661(4) 0.1539(4) 0.66489(19) 0.0707(12) Uani 1 1 d D . .
C5 C 0.2034(13) 0.0764(12) 0.6530(6) 0.063(3) Uiso 0.50 1 d P A 1
H5A H 0.1908 -0.0072 0.6748 0.094 Uiso 0.50 1 calc PR A 1
H5B H 0.1578 0.0557 0.6031 0.094 Uiso 0.50 1 calc PR A 1
H5C H 0.1561 0.1305 0.6732 0.094 Uiso 0.50 1 calc PR A 1
C6 C 0.4530(7) 0.0551(7) 0.6454(4) 0.0482(15) Uiso 0.50 1 d PD A 1
H6A H 0.4386 -0.0200 0.6739 0.072 Uiso 0.50 1 calc PR A 1
H6B H 0.5585 0.1057 0.6543 0.072 Uiso 0.50 1 calc PR A 1
H6C H 0.4136 0.0207 0.5964 0.072 Uiso 0.50 1 calc PR A 1
C7 C 0.3868(9) 0.2552(8) 0.6212(4) 0.0541(17) Uiso 0.50 1 d P A 1
H7A H 0.3472 0.2158 0.5729 0.081 Uiso 0.50 1 calc PR A 1
H7B H 0.4924 0.3050 0.6294 0.081 Uiso 0.50 1 calc PR A 1
H7C H 0.3355 0.3163 0.6304 0.081 Uiso 0.50 1 calc PR A 1
C8 C 0.4762(6) 0.2177(4) 0.9315(2) 0.0675(12) Uani 1 1 d . . .
C9 C 0.321(5) 0.105(4) 0.9340(18) 0.072(7) Uani 0.50 1 d P B 1
H9A H 0.2391 0.1272 0.9049 0.108 Uiso 0.50 1 calc PR B 1
H9B H 0.3123 0.1031 0.9817 0.108 Uiso 0.50 1 calc PR B 1
H9C H 0.3192 0.0170 0.9167 0.108 Uiso 0.50 1 calc PR B 1
C10 C 0.4417(13) 0.3443(11) 0.9522(5) 0.070(3) Uani 0.50 1 d P B 1
H10A H 0.5215 0.4250 0.9481 0.106 Uiso 0.50 1 calc PR B 1
H10B H 0.4332 0.3435 1.0001 0.106 Uiso 0.50 1 calc PR B 1
H10C H 0.3486 0.3441 0.9214 0.106 Uiso 0.50 1 calc PR B 1
C11 C 0.589(3) 0.190(3) 0.9734(14) 0.077(6) Uani 0.50 1 d P B 1
H11A H 0.6821 0.2564 0.9705 0.115 Uiso 0.50 1 calc PR B 1
H11B H 0.5860 0.1004 0.9591 0.115 Uiso 0.50 1 calc PR B 1
H11C H 0.5798 0.1946 1.0211 0.115 Uiso 0.50 1 calc PR B 1
C12 C 0.7934(4) 0.3735(4) 0.59534(18) 0.0526(8) Uani 1 1 d . C .
C13 C 0.7720(4) 0.4907(4) 0.57318(19) 0.0557(9) Uani 1 1 d . . .
H13A H 0.7741 0.5208 0.5289 0.067 Uiso 1 1 calc R . .
C14 C 0.7470(4) 0.5563(3) 0.62805(17) 0.0500(8) Uani 1 1 d . . .
C15 C 0.8290(4) 0.2678(4) 0.55751(19) 0.0606(9) Uani 1 1 d . . .
C16 C 0.7950(10) 0.2894(8) 0.4748(4) 0.0636(19) Uani 0.50 1 d P C 1
H16A H 0.8564 0.3791 0.4685 0.095 Uiso 0.50 1 calc PR C 1
H16B H 0.6907 0.2798 0.4574 0.095 Uiso 0.50 1 calc PR C 1
H16C H 0.8175 0.2219 0.4493 0.095 Uiso 0.50 1 calc PR C 1
C16A C 0.6845(11) 0.1864(10) 0.5028(5) 0.080(3) Uani 0.50 1 d P C 2
H16D H 0.6570 0.2452 0.4689 0.120 Uiso 0.50 1 calc PR C 2
H16E H 0.6052 0.1503 0.5260 0.120 Uiso 0.50 1 calc PR C 2
H16F H 0.7004 0.1123 0.4792 0.120 Uiso 0.50 1 calc PR C 2
C17 C 1.0058(9) 0.3180(9) 0.5765(5) 0.0623(19) Uani 0.50 1 d P C 1
H17A H 1.0430 0.4105 0.5653 0.094 Uiso 0.50 1 calc PR C 1
H17B H 1.0383 0.2600 0.5498 0.094 Uiso 0.50 1 calc PR C 1
H17C H 1.0439 0.3143 0.6261 0.094 Uiso 0.50 1 calc PR C 1
C17A C 0.9523(11) 0.3191(9) 0.5302(5) 0.067(2) Uani 0.50 1 d P C 2
H17D H 0.9346 0.3828 0.4972 0.101 Uiso 0.50 1 calc PR C 2
H17E H 0.9686 0.2454 0.5066 0.101 Uiso 0.50 1 calc PR C 2
H17F H 1.0396 0.3648 0.5679 0.101 Uiso 0.50 1 calc PR C 2
C18 C 0.7641(13) 0.1407(8) 0.5688(6) 0.073(2) Uani 0.50 1 d P C 1
H18A H 0.6576 0.1141 0.5486 0.109 Uiso 0.50 1 calc PR C 1
H18B H 0.7832 0.1335 0.6187 0.109 Uiso 0.50 1 calc PR C 1
H18C H 0.8042 0.0816 0.5473 0.109 Uiso 0.50 1 calc PR C 1
C18A C 0.8589(13) 0.1549(9) 0.6113(5) 0.068(2) Uani 0.50 1 d P C 2
H18D H 0.9490 0.1975 0.6481 0.102 Uiso 0.50 1 calc PR C 2
H18E H 0.8702 0.0808 0.5856 0.102 Uiso 0.50 1 calc PR C 2
H18F H 0.7752 0.1205 0.6318 0.102 Uiso 0.50 1 calc PR C 2
C30 C 0.8940(4) 0.6967(4) 0.9192(2) 0.0641(10) Uani 1 1 d . . .
C20 C 0.8526(6) 0.7865(5) 0.6871(3) 0.0980(17) Uani 1 1 d . . .
H20A H 0.9420 0.8016 0.6709 0.147 Uiso 1 1 calc R . .
H20B H 0.8648 0.7488 0.7317 0.147 Uiso 1 1 calc R . .
H20C H 0.8354 0.8718 0.6927 0.147 Uiso 1 1 calc R . .
C21 C 0.6985(8) 0.7462(5) 0.5648(3) 0.108(2) Uani 1 1 d . . .
H21A H 0.7904 0.7708 0.5499 0.161 Uiso 1 1 calc R . .
H21B H 0.6700 0.8258 0.5693 0.161 Uiso 1 1 calc R . .
H21C H 0.6205 0.6786 0.5303 0.161 Uiso 1 1 calc R . .
C22 C 0.5835(5) 0.6710(4) 0.6610(2) 0.0703(11) Uani 1 1 d . . .
H22A H 0.5953 0.6335 0.7056 0.105 Uiso 1 1 calc R . .
H22B H 0.4969 0.6098 0.6276 0.105 Uiso 1 1 calc R . .
H22C H 0.5704 0.7581 0.6668 0.105 Uiso 1 1 calc R . .
C23 C 1.1276(4) 0.6173(4) 0.8144(2) 0.0600(9) Uani 1 1 d . D .
C24 C 1.1076(4) 0.7077(4) 0.8599(2) 0.0679(11) Uani 1 1 d . . .
H24A H 1.1744 0.7949 0.8778 0.081 Uiso 1 1 calc R . .
C25 C 0.9736(4) 0.6473(4) 0.8739(2) 0.0614(10) Uani 1 1 d . . .
C26 C 1.2512(4) 0.6323(4) 0.7783(2) 0.0675(11) Uani 1 1 d D . .
C27 C 1.1997(11) 0.6551(12) 0.6986(4) 0.071(3) Uani 0.50 1 d PD D 1
H27A H 1.1817 0.7408 0.6955 0.107 Uiso 0.50 1 calc PR D 1
H27B H 1.1088 0.5822 0.6760 0.107 Uiso 0.50 1 calc PR D 1
H27C H 1.2771 0.6561 0.6755 0.107 Uiso 0.50 1 calc PR D 1
C28 C 1.386(4) 0.770(4) 0.804(2) 0.062(6) Uani 0.50 1 d P D 1
H28A H 1.4264 0.7748 0.8539 0.092 Uiso 0.50 1 calc PR D 1
H28B H 1.3509 0.8455 0.7931 0.092 Uiso 0.50 1 calc PR D 1
H28C H 1.4628 0.7728 0.7800 0.092 Uiso 0.50 1 calc PR D 1
C29 C 1.3078(14) 0.5247(13) 0.7772(6) 0.071(3) Uani 0.50 1 d P D 1
H29A H 1.3467 0.5081 0.8248 0.106 Uiso 0.50 1 calc PR D 1
H29B H 1.3870 0.5482 0.7533 0.106 Uiso 0.50 1 calc PR D 1
H29C H 1.2286 0.4438 0.7528 0.106 Uiso 0.50 1 calc PR D 1
C19 C 0.7214(4) 0.6889(3) 0.63447(19) 0.0570(9) Uani 1 1 d . . .
C31 C 0.7334(4) 0.6689(4) 0.8796(2) 0.0616(9) Uani 1 1 d . . .
H31A H 0.6854 0.5725 0.8660 0.092 Uiso 1 1 calc R . .
H31B H 0.7302 0.7170 0.8382 0.092 Uiso 1 1 calc R . .
H31C H 0.6817 0.6994 0.9094 0.092 Uiso 1 1 calc R . .
C32 C 0.8998(7) 0.6240(7) 0.9845(2) 0.0990(18) Uani 1 1 d . . .
H32A H 0.8531 0.5272 0.9717 0.149 Uiso 1 1 calc R . .
H32B H 0.8472 0.6548 1.0137 0.149 Uiso 1 1 calc R . .
H32C H 1.0028 0.6434 1.0101 0.149 Uiso 1 1 calc R . .
C33 C 0.9699(5) 0.8480(5) 0.9390(3) 0.0965(18) Uani 1 1 d . . .
H33A H 1.0700 0.8653 0.9679 0.145 Uiso 1 1 calc R . .
H33B H 0.9136 0.8819 0.9647 0.145 Uiso 1 1 calc R . .
H33C H 0.9748 0.8936 0.8969 0.145 Uiso 1 1 calc R . .
C34 C 0.9749(5) 0.1810(5) 0.7914(3) 0.0876(15) Uani 1 1 d . . .
H34A H 0.9590 0.0986 0.7629 0.131 Uiso 1 1 calc R . .
H34B H 1.0249 0.1757 0.8392 0.131 Uiso 1 1 calc R . .
H34C H 1.0360 0.2580 0.7732 0.131 Uiso 1 1 calc R . .
C35 C 0.7316(5) 0.0720(4) 0.8066(3) 0.0748(12) Uani 1 1 d . . .
H35A H 0.7761 0.0520 0.8526 0.112 Uiso 1 1 calc R . .
H35B H 0.7157 -0.0019 0.7722 0.112 Uiso 1 1 calc R . .
H35C H 0.6370 0.0831 0.8064 0.112 Uiso 1 1 calc R . .
C5A C 0.2107(11) 0.0452(11) 0.6519(5) 0.054(3) Uiso 0.50 1 d P A 2
H5AA H 0.2192 -0.0336 0.6752 0.081 Uiso 0.50 1 calc PR A 2
H5AB H 0.1695 0.0193 0.6020 0.081 Uiso 0.50 1 calc PR A 2
H5AC H 0.1455 0.0814 0.6702 0.081 Uiso 0.50 1 calc PR A 2
C6A C 0.4477(12) 0.1148(11) 0.6275(5) 0.079(2) Uiso 0.50 1 d P A 2
H6AA H 0.4417 0.0220 0.6347 0.119 Uiso 0.50 1 calc PR A 2
H6AB H 0.5508 0.1734 0.6427 0.119 Uiso 0.50 1 calc PR A 2
H6AC H 0.4091 0.1207 0.5782 0.119 Uiso 0.50 1 calc PR A 2
C7A C 0.3536(11) 0.2942(8) 0.6356(5) 0.072(2) Uiso 0.50 1 d PD A 2
H7AA H 0.3043 0.3331 0.6633 0.107 Uiso 0.50 1 calc PR A 2
H7AB H 0.2965 0.2762 0.5872 0.107 Uiso 0.50 1 calc PR A 2
H7AC H 0.4527 0.3573 0.6389 0.107 Uiso 0.50 1 calc PR A 2
C27A C 1.1772(12) 0.5771(13) 0.7068(6) 0.081(4) Uani 0.50 1 d P D 2
H27D H 1.1120 0.4849 0.7058 0.122 Uiso 0.50 1 calc PR D 2
H27E H 1.2509 0.5777 0.6815 0.122 Uiso 0.50 1 calc PR D 2
H27F H 1.1189 0.6317 0.6852 0.122 Uiso 0.50 1 calc PR D 2
C28A C 1.352(4) 0.766(4) 0.7983(18) 0.063(7) Uani 0.50 1 d P D 2
H28D H 1.3890 0.7800 0.8488 0.094 Uiso 0.50 1 calc PR D 2
H28E H 1.3009 0.8298 0.7828 0.094 Uiso 0.50 1 calc PR D 2
H28F H 1.4346 0.7797 0.7771 0.094 Uiso 0.50 1 calc PR D 2
C29A C 1.3319(11) 0.5271(11) 0.8173(7) 0.066(3) Uani 0.50 1 d P D 2
H29D H 1.3788 0.5613 0.8660 0.099 Uiso 0.50 1 calc PR D 2
H29E H 1.4067 0.5198 0.7943 0.099 Uiso 0.50 1 calc PR D 2
H29F H 1.2575 0.4386 0.8144 0.099 Uiso 0.50 1 calc PR D 2
C9A C 0.338(4) 0.134(4) 0.941(2) 0.077(9) Uani 0.50 1 d P B 2
H9AA H 0.3462 0.1276 0.9907 0.116 Uiso 0.50 1 calc PR B 2
H9AB H 0.3123 0.0445 0.9174 0.116 Uiso 0.50 1 calc PR B 2
H9AC H 0.2615 0.1728 0.9219 0.116 Uiso 0.50 1 calc PR B 2
C10A C 0.5389(19) 0.3629(11) 0.9727(6) 0.094(4) Uani 0.50 1 d P B 2
H10D H 0.6365 0.4109 0.9659 0.141 Uiso 0.50 1 calc PR B 2
H10E H 0.5469 0.3546 1.0222 0.141 Uiso 0.50 1 calc PR B 2
H10F H 0.4719 0.4128 0.9556 0.141 Uiso 0.50 1 calc PR B 2
C11A C 0.606(3) 0.152(3) 0.9657(12) 0.073(5) Uani 0.50 1 d P B 2
H11D H 0.7017 0.2108 0.9610 0.110 Uiso 0.50 1 calc PR B 2
H11E H 0.5823 0.0634 0.9415 0.110 Uiso 0.50 1 calc PR B 2
H11F H 0.6100 0.1437 1.0149 0.110 Uiso 0.50 1 calc PR B 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
Mo1 N7 1.914(3) . ?
Mo1 N3 2.065(3) . ?
Mo1 N6 2.086(3) . ?
Mo1 N1 2.091(3) . ?
Mo1 N5 2.153(3) . ?
Mo1 N4 2.197(3) . ?
N1 C1 1.360(4) . ?
N1 N2 1.384(4) . ?
N2 C3 1.347(5) . ?
N3 C12 1.359(4) . ?
N3 N4 1.386(4) . ?
N4 C14 1.336(4) . ?
N5 C23 1.335(5) . ?
N5 N6 1.389(4) . ?
N6 C25 1.356(5) . ?
N7 C34 1.475(5) . ?
N7 C35 1.479(5) . ?
C1 C2 1.391(5) . ?
C1 C4 1.509(5) . ?
C2 C3 1.403(5) . ?
C2 H2B 0.9500 . ?
C3 C8 1.506(5) . ?
C4 C6A 1.367(11) . ?
C4 C7 1.391(9) . ?
C4 C5A 1.558(11) . ?
C4 C5 1.514(12) . ?
C4 C7A 1.637(8) . ?
C4 C6 1.644(7) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C11 1.34(3) . ?
C8 C9A 1.43(4) . ?
C8 C10 1.556(12) . ?
C8 C10A 1.590(11) . ?
C8 C9 1.63(4) . ?
C8 C11A 1.67(2) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.388(6) . ?
C12 C15 1.515(5) . ?
C13 C14 1.398(5) . ?
C13 H13A 0.9500 . ?
C14 C19 1.512(5) . ?
C15 C18 1.342(9) . ?
C15 C17A 1.408(9) . ?
C15 C16A 1.557(10) . ?
C15 C17 1.604(9) . ?
C15 C16 1.643(8) . ?
C15 C18A 1.673(10) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C16A H16D 0.9800 . ?
C16A H16E 0.9800 . ?
C16A H16F 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C17A H17D 0.9800 . ?
C17A H17E 0.9800 . ?
C17A H17F 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C18A H18D 0.9800 . ?
C18A H18E 0.9800 . ?
C18A H18F 0.9800 . ?
C30 C25 1.514(5) . ?
C30 C32 1.528(7) . ?
C30 C31 1.529(5) . ?
C30 C33 1.535(6) . ?
C20 C19 1.523(6) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C19 1.527(6) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C19 1.535(5) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.398(5) . ?
C23 C26 1.528(6) . ?
C24 C25 1.372(6) . ?
C24 H24A 0.9500 . ?
C26 C28A 1.43(4) . ?
C26 C29 1.422(13) . ?
C26 C27A 1.457(12) . ?
C26 C27 1.604(8) . ?
C26 C28 1.60(4) . ?
C26 C29A 1.672(12) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C5A H5AA 0.9800 . ?
C5A H5AB 0.9800 . ?
C5A H5AC 0.9800 . ?
C6A H6AA 0.9800 . ?
C6A H6AB 0.9800 . ?
C6A H6AC 0.9800 . ?
C7A H7AA 0.9800 . ?
C7A H7AB 0.9800 . ?
C7A H7AC 0.9800 . ?
C27A H27D 0.9800 . ?
C27A H27E 0.9800 . ?
C27A H27F 0.9800 . ?
C28A H28D 0.9800 . ?
C28A H28E 0.9800 . ?
C28A H28F 0.9800 . ?
C29A H29D 0.9800 . ?
C29A H29E 0.9800 . ?
C29A H29F 0.9800 . ?
C9A H9AA 0.9800 . ?
C9A H9AB 0.9800 . ?
C9A H9AC 0.9800 . ?
C10A H10D 0.9800 . ?
C10A H10E 0.9800 . ?
C10A H10F 0.9800 . ?
C11A H11D 0.9800 . ?
C11A H11E 0.9800 . ?
C11A H11F 0.9800 . ?
