#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/1/1100920.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_1100920
_chemical_formula_sum             'C64 H42.50 Cu1.50 N4 O9'
_chemical_formula_weight          1106.83
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'
 'Cu'  'Cu'   0.3201   1.2651
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_symmetry_cell_setting            MONOCLINIC
_symmetry_space_group_name_H-M     C2/c
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, y, -z+1/2'
 'x+1/2, y+1/2, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y, z-1/2'
 '-x+1/2, -y+1/2, -z'
 'x+1/2, -y+1/2, z-1/2'
_cell_length_a                    27.543(8)
_cell_length_b                    13.226(6)
_cell_length_c                    31.171(13)
_cell_angle_alpha                 90.00
_cell_angle_beta                  104.81(3)
_cell_angle_gamma                 90.00
_cell_volume                      10977.9(75)
_cell_formula_units_Z               8
_cell_measurement_temperature     293(2)
_cell_measurement_reflns_used     ?
_cell_measurement_theta_min       ?
_cell_measurement_theta_max       ?
_exptl_crystal_description        ?
_exptl_crystal_colour             ?
_exptl_crystal_size_max           0.20
_exptl_crystal_size_mid           0.20
_exptl_crystal_size_min           0.25
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.339
_exptl_crystal_density_method     ?
_exptl_crystal_F_000              4560
_exptl_absorpt_coefficient_mu     0.649
_exptl_absorpt_correction_type    ?
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_T_max   ?
_diffrn_ambient_temperature        213
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'fine-focus sealed tube'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device        ?
_diffrn_measurement_method        ?
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             12907
_diffrn_reflns_av_R_equivalents   0.0714
_diffrn_reflns_av_sigmaI/netI     0.1056
_diffrn_reflns_limit_h_min        -23
_diffrn_reflns_limit_h_max        29
_diffrn_reflns_limit_k_min        -11
_diffrn_reflns_limit_k_max        14
_diffrn_reflns_limit_l_min        -34
_diffrn_reflns_limit_l_max        33
_diffrn_reflns_theta_min          1.35
_diffrn_reflns_theta_max          23.46
_reflns_number_total              7564
_reflns_number_observed           4177
_reflns_observed_criterion        >2sigma(I)
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme
 'calc w=1/[\s^2^(Fo^2^)+(0.1282P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     ?
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ?
_refine_ls_number_reflns          7560
_refine_ls_number_parameters      688
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.1743
_refine_ls_R_factor_obs           0.0973
_refine_ls_wR_factor_all          0.2917
_refine_ls_wR_factor_obs          0.2448
_refine_ls_goodness_of_fit_all    1.268
_refine_ls_goodness_of_fit_obs    1.490
_refine_ls_restrained_S_all       1.284
_refine_ls_restrained_S_obs       1.490
_refine_ls_shift/esd_max          -1.322
_refine_ls_shift/esd_mean         0.098
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_thermal_displace_type
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_group
Cu1 Cu 0.36432(5) 0.41084(10) 0.08910(5) 0.0873(5) Uani 1 d . .
Cu2 Cu 0.39330(9) 0.0902(2) 0.36215(8) 0.0738(7) Uani 0.50 d P .
O1 O 0.4131(2) 0.2302(4) 0.3437(2) 0.0513(13) Uani 1 d . .
O2 O 0.4580(2) 0.0536(4) 0.3397(2) 0.0591(15) Uani 1 d . .
O4 O 0.5191(2) 0.3132(5) 0.3049(2) 0.0528(14) Uani 1 d . .
O5 O 0.3760(2) -0.0588(4) 0.3727(2) 0.0483(13) Uani 1 d . .
O6 O 0.3401(2) 0.0515(4) 0.3005(2) 0.0505(13) Uani 1 d . .
O7 O 0.2785(2) -0.2276(4) 0.3107(2) 0.0501(13) Uani 1 d . .
N1 N 0.3427(5) 0.4692(10) 0.1430(4) 0.055(3) Uiso 0.60 d P 1
N1X N 0.3486(7) 0.5123(15) 0.1304(6) 0.055(5) Uiso 0.40 d P 2
N2 N 0.2899(3) 0.4216(5) 0.0625(2) 0.055(2) Uiso 1 d . .
N3 N 0.3855(2) 0.2621(5) 0.0944(2) 0.055(2) Uani 1 d . .
N4 N 0.4276(3) 0.4247(5) 0.0700(2) 0.061(2) Uani 1 d . .
C1 C 0.3738(5) 0.5139(15) 0.1773(5) 0.190(9) Uani 1 d . .
H1 H 0.4081(5) 0.5137(15) 0.1797(5) 0.103(9) Uiso 1 calc R 1
C2 C 0.3554(7) 0.5608(14) 0.2093(5) 0.179(8) Uani 1 d . .
H2 H 0.3773(7) 0.5768(14) 0.2365(5) 0.103(9) Uiso 1 calc R .
C3 C 0.3077(6) 0.5830(13) 0.2020(4) 0.138(6) Uani 1 d . .
H3 H 0.2956(6) 0.6173(13) 0.2232(4) 0.103(9) Uiso 1 calc R .
C4 C 0.2762(4) 0.5545(8) 0.1626(3) 0.084(3) Uani 1 d . .
H4 H 0.2421(4) 0.5696(8) 0.1563(3) 0.103(9) Uiso 1 calc R .
C5 C 0.2957(3) 0.5029(7) 0.1319(3) 0.061(2) Uani 1 d . .
C6 C 0.2650(3) 0.4672(6) 0.0889(3) 0.050(2) Uani 1 d . .
C7 C 0.2128(3) 0.4717(6) 0.0774(3) 0.056(2) Uani 1 d . .
H7 H 0.1959(3) 0.5041(6) 0.0957(3) 0.103(9) Uiso 1 calc R .
C8 C 0.1870(3) 0.4282(7) 0.0389(3) 0.069(3) Uani 1 d . .
H8 H 0.1522(3) 0.4331(7) 0.0307(3) 0.103(9) Uiso 1 calc R .
C9 C 0.2101(4) 0.3782(7) 0.0122(3) 0.077(3) Uani 1 d . .
H9 H 0.1921(4) 0.3454(7) -0.0133(3) 0.103(9) Uiso 1 calc R .
C10 C 0.2635(4) 0.3778(7) 0.0250(3) 0.071(3) Uani 1 d . .
H10 H 0.2807(4) 0.3461(7) 0.0067(3) 0.103(9) Uiso 1 calc R .
C11 C 0.3602(4) 0.1806(9) 0.1037(3) 0.080(3) Uani 1 d . .
H11 H 0.3319(4) 0.1923(9) 0.1141(3) 0.103(9) Uiso 1 calc R .
C12 C 0.3737(5) 0.0805(9) 0.0987(4) 0.088(3) Uani 1 d . .
H12 H 0.3557(5) 0.0267(9) 0.1063(4) 0.103(9) Uiso 1 calc R .
C13 C 0.4149(5) 0.0653(8) 0.0822(4) 0.092(4) Uani 1 d . .
H13 H 0.4244(5) -0.0002(8) 0.0771(4) 0.103(9) Uiso 1 calc R .
C14 C 0.4419(4) 0.1450(7) 0.0731(3) 0.066(3) Uani 1 d . .
H14 H 0.4703(4) 0.1342(7) 0.0627(3) 0.103(9) Uiso 1 calc R .
C15 C 0.4263(3) 0.2445(6) 0.0796(2) 0.049(2) Uani 1 d . .
C16 C 0.4527(3) 0.3374(6) 0.0709(2) 0.046(2) Uani 1 d . .
C17 C 0.5005(3) 0.3350(7) 0.0651(3) 0.061(2) Uani 1 d . .
H17 H 0.5178(3) 0.2743(7) 0.0660(3) 0.103(9) Uiso 1 calc R .
C18 C 0.5217(4) 0.4233(11) 0.0580(3) 0.093(4) Uani 1 d . .
H18 H 0.5538(4) 0.4232(11) 0.0535(3) 0.103(9) Uiso 1 calc R .
C19 C 0.4960(5) 0.5157(10) 0.0572(4) 0.094(3) Uani 1 d . .
H19 H 0.5104(5) 0.5770(10) 0.0524(4) 0.103(9) Uiso 1 calc R .
C200 C 0.4503(5) 0.5106(8) 0.0637(4) 0.088(3) Uani 1 d . .
H200 H 0.4329(5) 0.5709(8) 0.0638(4) 0.103(9) Uiso 1 calc R .
C20 C 0.4536(3) 0.2309(6) 0.3308(2) 0.047(2) Uani 1 d . .
C21 C 0.4769(3) 0.1329(7) 0.3274(2) 0.054(2) Uani 1 d . .
C22 C 0.5203(3) 0.1285(7) 0.3094(2) 0.050(2) Uani 1 d . .
C23 C 0.5431(3) 0.0369(8) 0.3025(3) 0.068(3) Uani 1 d . .
H23 H 0.5303(3) -0.0244(8) 0.3094(3) 0.089(17) Uiso 1 calc R .
C28 C 0.5847(4) 0.0389(11) 0.2853(3) 0.091(4) Uani 1 d . .
H28 H 0.6000(4) -0.0209(11) 0.2801(3) 0.089(17) Uiso 1 calc R .
C24 C 0.6035(4) 0.1334(10) 0.2757(3) 0.082(3) Uani 1 d . .
H24 H 0.6313(4) 0.1347(10) 0.2640(3) 0.089(17) Uiso 1 calc R .
C25 C 0.5822(3) 0.2228(9) 0.2830(3) 0.072(3) Uani 1 d . .
H25 H 0.5956(3) 0.2840(9) 0.2769(3) 0.089(17) Uiso 1 calc R .
C26 C 0.5401(3) 0.2203(8) 0.2997(2) 0.058(2) Uani 1 d . .
C27 C 0.4763(3) 0.3210(7) 0.3190(2) 0.050(2) Uani 1 d . .
C29 C 0.4839(4) 0.5060(8) 0.3060(3) 0.077(3) Uani 1 d . .
H29 H 0.5111(4) 0.4930(8) 0.2942(3) 0.114(18) Uiso 1 calc R .
C30 C 0.4688(4) 0.6081(8) 0.3089(4) 0.089(3) Uani 1 d . .
H30 H 0.4868(4) 0.6594(8) 0.2995(4) 0.114(18) Uiso 1 calc R .
C31 C 0.4284(4) 0.6335(9) 0.3253(3) 0.080(3) Uani 1 d . .
H31 H 0.4182(4) 0.6999(9) 0.3274(3) 0.114(18) Uiso 1 calc R .
C32 C 0.4040(4) 0.5509(8) 0.3385(4) 0.085(3) Uani 1 d . .
H32 H 0.3760(4) 0.5636(8) 0.3491(4) 0.114(18) Uiso 1 calc R .
C33 C 0.4192(4) 0.4500(7) 0.3366(3) 0.067(2) Uani 1 d . .
H33 H 0.4015(4) 0.3996(7) 0.3469(3) 0.114(18) Uiso 1 calc R .
C34 C 0.4590(3) 0.4225(7) 0.3203(2) 0.052(2) Uani 1 d . .
C35 C 0.3403(3) -0.0990(5) 0.3413(2) 0.040(2) Uani 1 d . .
C36 C 0.3220(3) -0.0377(6) 0.3016(2) 0.043(2) Uani 1 d . .
C37 C 0.2834(3) -0.0801(5) 0.2656(2) 0.045(2) Uani 1 d . .
C38 C 0.2634(3) -0.0297(6) 0.2257(3) 0.064(2) Uani 1 d . .
H38 H 0.2758(3) 0.0335(6) 0.2208(3) 0.088(15) Uiso 1 calc R .
C39 C 0.2260(4) -0.0724(7) 0.1940(3) 0.074(3) Uani 1 d . .
H39 H 0.2129(4) -0.0387(7) 0.1674(3) 0.088(15) Uiso 1 calc R .
C40 C 0.2072(4) -0.1669(7) 0.2013(3) 0.075(3) Uani 1 d . .
H40 H 0.1825(4) -0.1967(7) 0.1789(3) 0.088(15) Uiso 1 calc R .
C41 C 0.2239(3) -0.2162(6) 0.2402(3) 0.059(2) Uani 1 d . .
H41 H 0.2099(3) -0.2775(6) 0.2454(3) 0.088(15) Uiso 1 calc R .
C42 C 0.2625(3) -0.1730(6) 0.2720(3) 0.050(2) Uani 1 d . .
C43 C 0.3174(3) -0.1913(6) 0.3448(2) 0.046(2) Uani 1 d . .
C44 C 0.2945(3) -0.3426(6) 0.3849(3) 0.051(2) Uani 1 d . .
H44 H 0.2646(3) -0.3484(6) 0.3630(3) 0.063(11) Uiso 1 calc R .
C45 C 0.3051(4) -0.4121(7) 0.4189(3) 0.071(3) Uani 1 d . .
H45 H 0.2829(4) -0.4647(7) 0.4196(3) 0.063(11) Uiso 1 calc R .
C46 C 0.3488(4) -0.4027(7) 0.4520(3) 0.072(3) Uani 1 d . .
H46 H 0.3560(4) -0.4481(7) 0.4755(3) 0.063(11) Uiso 1 calc R .
C47 C 0.3819(4) -0.3254(7) 0.4501(3) 0.061(2) Uani 1 d . .
H47 H 0.4116(4) -0.3200(7) 0.4724(3) 0.063(11) Uiso 1 calc R .
C48 C 0.3722(3) -0.2564(6) 0.4160(3) 0.050(2) Uani 1 d . .
H48 H 0.3951(3) -0.2052(6) 0.4152(3) 0.063(11) Uiso 1 calc R .
C49 C 0.3273(3) -0.2639(5) 0.3823(2) 0.042(2) Uani 1 d . .
O8 O 0.3284(5) 0.1678(8) 0.3734(4) 0.052(3) Uiso 0.50 d P 1
O9 O 0.4157(5) 0.1259(10) 0.4293(5) 0.061(3) Uiso 0.50 d P 1
O10 O 0.3520(5) 0.2755(9) 0.4964(4) 0.043(3) Uiso 0.50 d P 1
C50 C 0.3399(6) 0.1986(12) 0.4139(5) 0.048(4) Uiso 0.50 d P 1
C51 C 0.3748(3) 0.1816(7) 0.4395(3) 0.000(2) Uiso 0.50 d P 1
C52 C 0.3902(7) 0.2150(14) 0.4862(6) 0.064(5) Uiso 0.50 d P 1
C53 C 0.3080(5) 0.2993(10) 0.4655(4) 0.023(3) Uiso 0.50 d P 1
C59 C 0.4734 0.1357 0.5239 0.037(4) Uiso 0.50 d P 1
H59 H 0.4761 0.1128 0.4964 0.044(17) Uiso 0.50 calc PR 1
C61 C 0.5029(9) 0.1505(15) 0.5994(9) 0.073(6) Uiso 0.50 d P 1
H61 H 0.5257(9) 0.1401(15) 0.6267(9) 0.044(17) Uiso 0.50 calc PR 1
C60 C 0.5122(6) 0.1102(11) 0.5600(5) 0.037(4) Uiso 0.50 d P 1
H60 H 0.5402(6) 0.0722(11) 0.5588(5) 0.044(17) Uiso 0.50 calc PR 1
C62 C 0.4671(5) 0.1958(9) 0.5972(4) 0.100(4) Uiso 0.50 d P 1
H62 H 0.4672(5) 0.2215(9) 0.6250(4) 0.044(17) Uiso 0.50 calc PR 1
C63 C 0.4273(4) 0.2222(7) 0.5690(3) 0.074(3) Uiso 0.50 d P 1
H63 H 0.4001(4) 0.2553(7) 0.5753(3) 0.044(17) Uiso 0.50 calc PR 1
C64 C 0.4312(6) 0.1917(11) 0.5243(5) 0.032(4) Uiso 0.50 d P 1
O8X O 0.3483(5) 0.1584(9) 0.3938(4) 0.050(3) Uiso 0.50 d P 2
O9X O 0.4391(4) 0.0952(8) 0.4306(3) 0.044(3) Uiso 0.50 d P 2
O10X O 0.3716(6) 0.2520(11) 0.5086(5) 0.065(4) Uiso 0.50 d P 2
C50X C 0.4162(6) 0.1437(11) 0.4533(6) 0.042(4) Uiso 0.50 d P 2
C51X C 0.4397(6) 0.1544(12) 0.5018(5) 0.048(4) Uiso 0.50 d P 2
C52X C 0.4104(10) 0.2122(15) 0.5264(7) 0.057(6) Uiso 0.50 d P 2
C53X C 0.3453(6) 0.2382(13) 0.4628(6) 0.057(4) Uiso 0.50 d P 2
C59X C 0.4833 0.1301 0.5325 0.154(14) Uiso 0.50 d P 2
H59X H 0.5063 0.0965 0.5203 0.019(15) Uiso 0.50 calc PR 2
C61X C 0.4994(9) 0.1439(17) 0.5750(9) 0.078(7) Uiso 0.50 d P 2
H61X H 0.5309(9) 0.1209(17) 0.5905(9) 0.019(15) Uiso 0.50 calc PR 2
C62X C 0.4671(5) 0.1958(9) 0.5972(4) 0.100(4) Uiso 0.50 d P 2
H62X H 0.4743(5) 0.2080(7) 0.6275(4) 0.019(15) Uiso 0.50 calc PR 2
C63X C 0.4273(4) 0.2222(7) 0.5690(3) 0.074(3) Uiso 0.50 d P 2
H63X H 0.4051(5) 0.2567(7) 0.5818(4) 0.019(15) Uiso 0.50 calc PR 2
C54 C 0.2768(5) 0.3501(7) 0.4832(4) 0.092(4) Uani 1 d . .
H54 H 0.2876(5) 0.3716(7) 0.5125(4) 0.152(30) Uiso 1 calc R 1
C55 C 0.2195(6) 0.3759(8) 0.4550(7) 0.167(9) Uani 1 d . .
H55 H 0.1948(6) 0.4101(8) 0.4648(7) 0.152(30) Uiso 1 calc R .
C56 C 0.2156(5) 0.3325(9) 0.4099(6) 0.121(5) Uani 1 d . .
H56 H 0.1856(5) 0.3396(9) 0.3881(6) 0.152(30) Uiso 1 calc R .
C57 C 0.2554(5) 0.2821(9) 0.3999(5) 0.105(4) Uani 1 d . .
H57 H 0.2539(5) 0.2565(9) 0.3718(5) 0.152(30) Uiso 1 calc R .
C58 C 0.2945(6) 0.2736(10) 0.4327(7) 0.144(7) Uani 1 d . .
loop_
 _atom_site_aniso_label
 _atom_site_aniso_U_11
 _atom_site_aniso_U_22
 _atom_site_aniso_U_33
 _atom_site_aniso_U_23
 _atom_site_aniso_U_13
 _atom_site_aniso_U_12
Cu1 0.0581(7) 0.0923(10) 0.1146(11) -0.0274(8) 0.0275(7) 0.0282(7)
Cu2 0.0646(14) 0.077(2) 0.081(2) -0.0015(13) 0.0210(12) -0.0090(13)
O1 0.039(3) 0.057(3) 0.063(3) -0.008(3) 0.023(3) -0.012(3)
O2 0.051(3) 0.068(4) 0.064(4) -0.001(3) 0.025(3) 0.003(3)
O4 0.030(3) 0.087(4) 0.042(3) 0.000(3) 0.010(2) -0.007(3)
O5 0.044(3) 0.049(3) 0.048(3) -0.001(2) 0.004(3) -0.009(3)
O6 0.053(3) 0.043(3) 0.051(3) 0.005(2) 0.006(3) -0.009(3)
O7 0.047(3) 0.046(3) 0.051(3) 0.003(3) -0.001(3) -0.012(3)
N3 0.044(4) 0.071(5) 0.048(4) -0.004(3) 0.008(3) -0.001(4)
N4 0.056(4) 0.052(5) 0.075(5) -0.003(4) 0.015(4) 0.013(4)
C1 0.060(8) 0.308(23) 0.174(15) -0.137(16) -0.024(9) 0.042(11)
C2 0.115(14) 0.255(19) 0.137(12) -0.133(13) -0.023(11) 0.033(14)
C3 0.128(12) 0.205(16) 0.075(8) -0.060(9) 0.015(8) 0.036(12)
C4 0.083(7) 0.104(8) 0.066(7) -0.011(6) 0.023(6) 0.015(6)
C5 0.049(5) 0.081(6) 0.052(5) -0.012(5) 0.010(4) 0.019(5)
C6 0.049(5) 0.052(5) 0.053(5) 0.001(4) 0.023(4) 0.020(4)
C7 0.051(5) 0.066(6) 0.051(5) 0.005(4) 0.014(4) 0.016(4)
C8 0.054(5) 0.071(6) 0.077(7) 0.010(5) 0.005(5) 0.010(5)
C9 0.095(8) 0.072(6) 0.057(6) -0.001(5) 0.007(6) 0.016(6)
C10 0.079(7) 0.073(6) 0.063(6) 0.002(5) 0.022(5) 0.022(5)
C11 0.049(6) 0.114(10) 0.072(7) 0.014(6) 0.004(5) -0.013(6)
C12 0.089(8) 0.072(8) 0.088(8) 0.002(6) -0.008(7) -0.028(7)
C13 0.113(10) 0.049(7) 0.098(8) -0.006(6) -0.005(8) 0.005(7)
C14 0.066(6) 0.057(6) 0.064(6) -0.007(5) 0.000(5) 0.018(5)
C15 0.052(5) 0.056(5) 0.031(4) -0.003(4) -0.001(4) 0.012(4)
C16 0.043(5) 0.059(5) 0.037(4) 0.000(4) 0.012(4) 0.013(4)
C17 0.055(6) 0.071(6) 0.058(5) 0.011(5) 0.013(4) 0.006(5)
C18 0.057(6) 0.150(12) 0.068(7) 0.020(7) 0.010(5) 0.004(8)
C19 0.086(9) 0.091(9) 0.104(9) 0.021(7) 0.024(7) -0.012(7)
C200 0.089(9) 0.061(7) 0.107(9) 0.006(6) 0.014(7) 0.009(6)
C20 0.046(5) 0.062(5) 0.035(4) 0.004(4) 0.011(4) -0.004(4)
C21 0.035(4) 0.083(6) 0.039(4) -0.002(4) 0.003(4) -0.012(5)
C22 0.039(4) 0.074(6) 0.041(5) -0.005(4) 0.015(4) 0.003(4)
C23 0.049(5) 0.094(7) 0.059(6) -0.007(5) 0.010(5) 0.014(5)
C28 0.066(7) 0.137(11) 0.073(7) -0.004(7) 0.024(6) 0.043(7)
C24 0.047(6) 0.140(11) 0.064(6) 0.002(7) 0.022(5) 0.014(7)
C25 0.043(5) 0.125(9) 0.050(5) 0.002(5) 0.016(4) 0.008(6)
C26 0.030(4) 0.111(8) 0.031(4) 0.001(5) 0.006(3) -0.004(5)
C27 0.039(5) 0.073(6) 0.037(4) -0.004(4) 0.005(4) -0.012(4)
C29 0.050(5) 0.090(8) 0.092(7) 0.000(6) 0.020(5) -0.009(5)
C30 0.087(8) 0.071(7) 0.106(8) -0.001(6) 0.017(7) -0.025(6)
C31 0.070(7) 0.084(8) 0.087(7) -0.012(6) 0.022(6) -0.018(6)
C32 0.084(7) 0.076(7) 0.106(8) -0.017(6) 0.047(7) -0.011(6)
C33 0.072(6) 0.058(6) 0.080(6) -0.003(5) 0.033(5) -0.011(5)
C34 0.044(5) 0.066(6) 0.043(4) -0.005(4) 0.008(4) -0.018(4)
C35 0.037(4) 0.031(4) 0.053(5) -0.003(4) 0.013(4) 0.001(3)
C36 0.046(4) 0.035(4) 0.049(5) 0.007(4) 0.011(4) 0.004(4)
C37 0.043(4) 0.040(4) 0.046(5) -0.002(4) -0.002(4) -0.002(4)
C38 0.070(6) 0.046(5) 0.063(6) 0.003(4) -0.004(5) -0.007(5)
C39 0.080(7) 0.058(6) 0.064(6) 0.012(5) -0.018(5) -0.002(5)
C40 0.059(6) 0.061(6) 0.082(7) -0.005(5) -0.026(5) -0.009(5)
C41 0.048(5) 0.052(5) 0.067(6) -0.001(5) -0.005(4) -0.011(4)
C42 0.052(5) 0.039(4) 0.051(5) 0.002(4) 0.002(4) 0.000(4)
C43 0.042(4) 0.049(5) 0.046(5) -0.006(4) 0.012(4) 0.004(4)
C44 0.053(5) 0.055(5) 0.045(5) -0.001(4) 0.016(4) -0.012(4)
C45 0.089(7) 0.070(6) 0.057(6) 0.014(5) 0.022(5) -0.017(6)
C46 0.095(7) 0.076(7) 0.049(5) 0.020(5) 0.025(5) 0.000(6)
C47 0.066(6) 0.060(6) 0.053(5) -0.001(4) 0.008(5) 0.004(5)
C48 0.052(5) 0.041(4) 0.056(5) 0.009(4) 0.013(4) 0.001(4)
C49 0.050(5) 0.044(4) 0.033(4) 0.000(3) 0.012(4) 0.009(4)
C54 0.119(10) 0.056(6) 0.127(10) 0.008(6) 0.077(8) 0.003(6)
C55 0.210(17) 0.029(6) 0.348(24) 0.059(9) 0.231(18) 0.055(8)
C56 0.092(9) 0.081(9) 0.200(15) 0.069(10) 0.055(10) 0.034(8)
C57 0.103(10) 0.070(8) 0.162(13) -0.010(8) 0.073(10) -0.002(7)
C58 0.103(11) 0.077(9) 0.219(19) 0.059(11) -0.018(12) -0.048(8)