#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/20/4062071.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_4062071
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C34 H36 Mg2 O2'
_chemical_formula_weight         525.25
_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                80.325(4)
_cell_angle_beta                 86.083(5)
_cell_angle_gamma                77.870(4)
_cell_formula_units_Z            6
_cell_length_a                   12.622(2)
_cell_length_b                   18.658(4)
_cell_length_c                   19.992(4)
_cell_measurement_temperature    295(2)
_cell_volume                     4535.0(15)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.154
_cod_database_code               4062071
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
Mg1 Mg 0.62651(6) 0.73530(5) 0.11191(4) 0.0592(3) Uani 1 1 d . . .
Mg2 Mg 0.76166(7) 0.67433(5) -0.00607(5) 0.0625(3) Uani 1 1 d . . .
C1 C 0.7976(2) 0.68345(15) 0.10137(14) 0.0604(7) Uani 1 1 d . . .
C2 C 0.8933(2) 0.66554(14) 0.11072(12) 0.0538(6) Uani 1 1 d . . .
C3 C 1.00781(18) 0.64659(14) 0.12306(12) 0.0510(6) Uani 1 1 d . . .
C4 C 1.0563(2) 0.57719(16) 0.15324(15) 0.0719(8) Uani 1 1 d . . .
H4 H 1.0153 0.5407 0.1651 0.086 Uiso 1 1 calc R . .
C5 C 1.1669(2) 0.56064(18) 0.16636(17) 0.0896(11) Uani 1 1 d . . .
H5 H 1.1998 0.5133 0.1865 0.108 Uiso 1 1 calc R . .
C6 C 1.2260(2) 0.6148(2) 0.14932(18) 0.0923(11) Uani 1 1 d . . .
H6 H 1.2993 0.6044 0.1588 0.111 Uiso 1 1 calc R . .
C7 C 1.1795(2) 0.68329(19) 0.11892(18) 0.0919(11) Uani 1 1 d . . .
H7 H 1.2213 0.7193 0.1069 0.110 Uiso 1 1 calc R . .
C8 C 1.0702(2) 0.70043(16) 0.10547(16) 0.0759(9) Uani 1 1 d . . .
H8 H 1.0385 0.7478 0.0847 0.091 Uiso 1 1 calc R . .
C9 C 0.5890(2) 0.72508(15) 0.00451(13) 0.0612(7) Uani 1 1 d . . .
C10 C 0.4937(2) 0.74824(14) -0.00296(12) 0.0523(6) Uani 1 1 d . . .
C11 C 0.37977(19) 0.77576(14) -0.01530(12) 0.0493(6) Uani 1 1 d . . .
C12 C 0.3271(2) 0.74251(15) -0.05637(14) 0.0617(7) Uani 1 1 d . . .
H12 H 0.3651 0.7021 -0.0755 0.074 Uiso 1 1 calc R . .
C13 C 0.2187(2) 0.76902(18) -0.06899(16) 0.0782(9) Uani 1 1 d . . .
H13 H 0.1840 0.7467 -0.0969 0.094 Uiso 1 1 calc R . .
C14 C 0.1619(2) 0.82803(19) -0.04064(18) 0.0800(9) Uani 1 1 d . . .
H14 H 0.0887 0.8454 -0.0491 0.096 Uiso 1 1 calc R . .
C15 C 0.2123(2) 0.86182(16) 0.00023(16) 0.0734(9) Uani 1 1 d . . .
H15 H 0.1735 0.9022 0.0192 0.088 Uiso 1 1 calc R . .
C16 C 0.3208(2) 0.83566(14) 0.01312(13) 0.0583(7) Uani 1 1 d . . .
H16 H 0.3548 0.8583 0.0411 0.070 Uiso 1 1 calc R . .
O1 O 0.65533(15) 0.84191(10) 0.08433(11) 0.0774(6) Uani 1 1 d . . .
C17 C 0.7427(3) 0.86805(19) 0.1074(2) 0.1117(13) Uani 1 1 d . . .
H17A H 0.8085 0.8301 0.1087 0.134 Uiso 1 1 calc R . .
H17B H 0.7259 0.8800 0.1528 0.134 Uiso 1 1 calc R . .
C18 C 0.7581(3) 0.9345(2) 0.06008(19) 0.0997(11) Uani 1 1 d . . .
H18A H 0.8186 0.9227 0.0285 0.120 Uiso 1 1 calc R . .
H18B H 0.7713 0.9725 0.0843 0.120 Uiso 1 1 calc R . .
C19 C 0.6547(3) 0.9594(2) 0.0242(2) 0.1120(13) Uani 1 1 d . . .
H19A H 0.6150 1.0057 0.0372 0.134 Uiso 1 1 calc R . .
H19B H 0.6687 0.9671 -0.0246 0.134 Uiso 1 1 calc R . .
C20 C 0.5936(3) 0.9026(2) 0.0429(3) 0.162(2) Uani 1 1 d . . .
H20A H 0.5274 0.9217 0.0673 0.195 Uiso 1 1 calc R . .
H20B H 0.5740 0.8867 0.0025 0.195 Uiso 1 1 calc R . .
O2 O 0.74200(17) 0.56663(11) 0.01636(11) 0.0822(6) Uani 1 1 d . . .
C21 C 0.6520(5) 0.5403(3) -0.0003(3) 0.211(3) Uani 1 1 d . . .
H21A H 0.6504 0.5438 -0.0492 0.253 Uiso 1 1 calc R . .
H21B H 0.5857 0.5710 0.0148 0.253 Uiso 1 1 calc R . .
C22 C 0.6574(4) 0.4654(3) 0.0307(3) 0.1553(19) Uani 1 1 d . . .
H22A H 0.5980 0.4616 0.0637 0.186 Uiso 1 1 calc R . .
H22B H 0.6535 0.4344 -0.0031 0.186 Uiso 1 1 calc R . .
C23 C 0.7554(5) 0.4436(3) 0.0620(3) 0.194(3) Uani 1 1 d . . .
H23A H 0.8027 0.4056 0.0402 0.233 Uiso 1 1 calc R . .
H23B H 0.7447 0.4235 0.1094 0.233 Uiso 1 1 calc R . .
C24 C 0.8024(5) 0.5072(2) 0.0565(4) 0.234(4) Uani 1 1 d . . .
H24A H 0.8068 0.5195 0.1013 0.280 Uiso 1 1 calc R . .
H24B H 0.8755 0.4963 0.0371 0.280 Uiso 1 1 calc R . .
C25 C 0.4574(3) 0.7203(4) 0.17052(18) 0.1063(16) Uani 1 1 d . . .
H25 H 0.3959 0.7276 0.1451 0.128 Uiso 1 1 calc R . .
C26 C 0.5298(6) 0.6543(3) 0.1878(3) 0.1234(17) Uani 1 1 d . . .
H26 H 0.5271 0.6086 0.1759 0.148 Uiso 1 1 calc R . .
C27 C 0.6070(4) 0.6690(4) 0.2262(3) 0.129(2) Uani 1 1 d . . .
H27 H 0.6657 0.6348 0.2458 0.155 Uiso 1 1 calc R . .
C28 C 0.5826(4) 0.7399(5) 0.2300(2) 0.1268(19) Uani 1 1 d . . .
H28 H 0.6225 0.7646 0.2525 0.152 Uiso 1 1 calc R . .
C29 C 0.4923(4) 0.7716(2) 0.1971(3) 0.1148(15) Uani 1 1 d . . .
H29 H 0.4589 0.8215 0.1934 0.138 Uiso 1 1 calc R . .
C30 C 0.9000(4) 0.6471(3) -0.0926(3) 0.1163(15) Uani 1 1 d . . .
H30 H 0.9363 0.5981 -0.0913 0.140 Uiso 1 1 calc R . .
C31 C 0.9290(4) 0.6973(5) -0.0636(2) 0.134(2) Uani 1 1 d . . .
H31 H 0.9905 0.6896 -0.0382 0.161 Uiso 1 1 calc R . .
C32 C 0.8577(8) 0.7611(4) -0.0759(4) 0.179(4) Uani 1 1 d . . .
H32 H 0.8592 0.8051 -0.0601 0.215 Uiso 1 1 calc R . .
C33 C 0.7823(5) 0.7494(5) -0.1160(3) 0.170(4) Uani 1 1 d . . .
H33 H 0.7234 0.7845 -0.1341 0.204 Uiso 1 1 calc R . .
C34 C 0.8076(4) 0.6796(4) -0.1247(2) 0.1259(18) Uani 1 1 d . . .
H34 H 0.7682 0.6564 -0.1490 0.151 Uiso 1 1 calc R . .
Mg3 Mg 0.31212(7) 0.41232(5) 0.42801(5) 0.0617(3) Uani 1 1 d . . .
Mg4 Mg 0.44942(7) 0.35082(5) 0.30952(5) 0.0605(3) Uani 1 1 d . . .
C35 C 0.2754(2) 0.39666(15) 0.32194(14) 0.0660(8) Uani 1 1 d . . .
C36 C 0.1794(2) 0.41491(14) 0.31388(13) 0.0562(7) Uani 1 1 d . . .
C37 C 0.0650(2) 0.43606(14) 0.30019(13) 0.0520(6) Uani 1 1 d . . .
C38 C 0.0206(2) 0.39834(15) 0.25852(14) 0.0632(7) Uani 1 1 d . . .
H38 H 0.0638 0.3582 0.2414 0.076 Uiso 1 1 calc R . .
C39 C -0.0871(2) 0.41999(18) 0.24235(15) 0.0747(9) Uani 1 1 d . . .
H39 H -0.1159 0.3941 0.2147 0.090 Uiso 1 1 calc R . .
C40 C -0.1512(2) 0.47851(19) 0.26630(18) 0.0813(10) Uani 1 1 d . . .
H40 H -0.2235 0.4931 0.2545 0.098 Uiso 1 1 calc R . .
C41 C -0.1095(2) 0.51620(17) 0.30792(17) 0.0794(9) Uani 1 1 d . . .
H41 H -0.1539 0.5562 0.3246 0.095 Uiso 1 1 calc R . .
C42 C -0.0021(2) 0.49518(15) 0.32526(14) 0.0658(8) Uani 1 1 d . . .
H42 H 0.0253 0.5208 0.3539 0.079 Uiso 1 1 calc R . .
C43 C 0.4850(2) 0.36476(15) 0.41661(14) 0.0637(7) Uani 1 1 d . . .
C44 C 0.5792(2) 0.33978(14) 0.42594(13) 0.0573(7) Uani 1 1 d . . .
C45 C 0.69335(19) 0.31207(15) 0.43785(13) 0.0552(7) Uani 1 1 d . . .
C46 C 0.7663(2) 0.35706(16) 0.41570(15) 0.0716(8) Uani 1 1 d . . .
H46 H 0.7420 0.4047 0.3925 0.086 Uiso 1 1 calc R . .
C47 C 0.8759(2) 0.33180(19) 0.42777(17) 0.0873(10) Uani 1 1 d . . .
H47 H 0.9249 0.3622 0.4121 0.105 Uiso 1 1 calc R . .
C48 C 0.9117(2) 0.2622(2) 0.46277(16) 0.0858(10) Uani 1 1 d . . .
H48 H 0.9850 0.2458 0.4717 0.103 Uiso 1 1 calc R . .
C49 C 0.8403(2) 0.21648(18) 0.48476(16) 0.0830(10) Uani 1 1 d . . .
H49 H 0.8649 0.1687 0.5076 0.100 Uiso 1 1 calc R . .
C50 C 0.7311(2) 0.24210(16) 0.47258(15) 0.0689(8) Uani 1 1 d . . .
H50 H 0.6824 0.2114 0.4882 0.083 Uiso 1 1 calc R . .
O3 O 0.32606(17) 0.52072(11) 0.40067(11) 0.0800(6) Uani 1 1 d . . .
C51 C 0.4117(4) 0.5518(3) 0.4174(3) 0.184(3) Uani 1 1 d . . .
H51A H 0.4808 0.5217 0.4058 0.221 Uiso 1 1 calc R . .
H51B H 0.4089 0.5530 0.4658 0.221 Uiso 1 1 calc R . .
C52 C 0.4017(4) 0.6267(2) 0.3802(3) 0.1394(17) Uani 1 1 d . . .
H52A H 0.4091 0.6610 0.4102 0.167 Uiso 1 1 calc R . .
H52B H 0.4569 0.6285 0.3440 0.167 Uiso 1 1 calc R . .
C53 C 0.2988(4) 0.6443(2) 0.3537(3) 0.184(3) Uani 1 1 d . . .
H53A H 0.3019 0.6646 0.3058 0.221 Uiso 1 1 calc R . .
H53B H 0.2509 0.6805 0.3774 0.221 Uiso 1 1 calc R . .
C54 C 0.2621(5) 0.5772(3) 0.3634(4) 0.258(5) Uani 1 1 d . . .
H54A H 0.1904 0.5848 0.3851 0.310 Uiso 1 1 calc R . .
H54B H 0.2553 0.5637 0.3193 0.310 Uiso 1 1 calc R . .
O4 O 0.43297(16) 0.24335(11) 0.33430(11) 0.0811(6) Uani 1 1 d . . .
C55 C 0.3469(4) 0.2137(2) 0.3159(3) 0.1452(19) Uani 1 1 d . . .
H55A H 0.3535 0.2106 0.2678 0.174 Uiso 1 1 calc R . .
H55B H 0.2782 0.2460 0.3246 0.174 Uiso 1 1 calc R . .
C56 C 0.3497(3) 0.1407(2) 0.3546(2) 0.1194(14) Uani 1 1 d . . .
H56A H 0.2928 0.1419 0.3898 0.143 Uiso 1 1 calc R . .
H56B H 0.3411 0.1058 0.3255 0.143 Uiso 1 1 calc R . .
C57 C 0.4548(4) 0.1209(2) 0.3836(3) 0.159(2) Uani 1 1 d . . .
H57A H 0.4478 0.1055 0.4322 0.191 Uiso 1 1 calc R . .
H57B H 0.4989 0.0798 0.3640 0.191 Uiso 1 1 calc R . .
C58 C 0.5044(4) 0.1835(2) 0.3698(3) 0.186(3) Uani 1 1 d . . .
H58A H 0.5225 0.1964 0.4120 0.223 Uiso 1 1 calc R . .
H58B H 0.5709 0.1720 0.3428 0.223 Uiso 1 1 calc R . .
C59 C 0.1456(3) 0.3994(5) 0.4917(2) 0.1164(16) Uani 1 1 d . . .
H59 H 0.0812 0.4150 0.4687 0.140 Uiso 1 1 calc R . .
C60 C 0.2073(8) 0.3321(4) 0.4976(3) 0.159(3) Uani 1 1 d . . .
H60 H 0.1931 0.2920 0.4803 0.191 Uiso 1 1 calc R . .
C61 C 0.2977(6) 0.3319(5) 0.5343(4) 0.205(5) Uani 1 1 d . . .
H61 H 0.3562 0.2930 0.5455 0.246 Uiso 1 1 calc R . .
C62 C 0.2808(5) 0.4006(6) 0.5499(2) 0.160(3) Uani 1 1 d . . .
H62 H 0.3264 0.4178 0.5753 0.192 Uiso 1 1 calc R . .
C63 C 0.1905(6) 0.4399(3) 0.5237(3) 0.1303(18) Uani 1 1 d . . .
H63 H 0.1625 0.4894 0.5275 0.156 Uiso 1 1 calc R . .
C64 C 0.6207(3) 0.3600(4) 0.2502(2) 0.1064(14) Uani 1 1 d . . .
H64 H 0.6828 0.3452 0.2756 0.128 Uiso 1 1 calc R . .
C65 C 0.5796(5) 0.3169(3) 0.2173(2) 0.1176(15) Uani 1 1 d . . .
H65 H 0.6089 0.2673 0.2149 0.141 Uiso 1 1 calc R . .
C66 C 0.4864(5) 0.3577(4) 0.1873(2) 0.1244(19) Uani 1 1 d . . .
H66 H 0.4405 0.3406 0.1619 0.149 Uiso 1 1 calc R . .
C67 C 0.4738(4) 0.4287(4) 0.2018(3) 0.138(2) Uani 1 1 d . . .
H67 H 0.4187 0.4691 0.1878 0.165 Uiso 1 1 calc R . .
C68 C 0.5590(5) 0.4280(3) 0.2412(3) 0.1193(16) Uani 1 1 d . . .
H68 H 0.5716 0.4684 0.2587 0.143 Uiso 1 1 calc R . .
Mg5 Mg 0.97506(7) 1.01860(5) -0.23180(5) 0.0606(3) Uani 1 1 d . . .
Mg6 Mg 1.10509(7) 1.06885(5) -0.35666(5) 0.0589(3) Uani 1 1 d . . .
C69 C 1.1501(2) 1.01520(15) -0.24940(14) 0.0631(7) Uani 1 1 d . . .
C70 C 1.2448(2) 0.99886(14) -0.23614(13) 0.0558(7) Uani 1 1 d . . .
C71 C 1.35760(19) 0.97792(14) -0.21885(13) 0.0529(6) Uani 1 1 d . . .
C72 C 1.3947(2) 0.91588(15) -0.17152(14) 0.0660(8) Uani 1 1 d . . .
H72 H 1.3465 0.8865 -0.1513 0.079 Uiso 1 1 calc R . .
C73 C 1.5012(2) 0.89721(17) -0.15411(15) 0.0793(9) Uani 1 1 d . . .
H73 H 1.5248 0.8554 -0.1223 0.095 Uiso 1 1 calc R . .
C74 C 1.5730(2) 0.93979(19) -0.18334(17) 0.0825(10) Uani 1 1 d . . .
H74 H 1.6451 0.9273 -0.1710 0.099 Uiso 1 1 calc R . .
C75 C 1.5382(2) 1.00109(18) -0.23098(16) 0.0790(9) Uani 1 1 d . . .
H75 H 1.5872 1.0296 -0.2515 0.095 Uiso 1 1 calc R . .
C76 C 1.4316(2) 1.02051(15) -0.24844(14) 0.0649(8) Uani 1 1 d . . .
H76 H 1.4086 1.0625 -0.2803 0.078 Uiso 1 1 calc R . .
C77 C 0.9316(2) 1.06994(15) -0.33885(14) 0.0661(8) Uani 1 1 d . . .
C78 C 0.8381(2) 1.08168(14) -0.35365(13) 0.0557(7) Uani 1 1 d . . .
C79 C 0.72610(19) 1.09883(14) -0.37343(12) 0.0500(6) Uani 1 1 d . . .
C80 C 0.6911(2) 1.05793(15) -0.41713(13) 0.0612(7) Uani 1 1 d . . .
H80 H 0.7390 1.0184 -0.4323 0.073 Uiso 1 1 calc R . .
C81 C 0.5854(2) 1.07655(17) -0.43757(15) 0.0724(8) Uani 1 1 d . . .
H81 H 0.5622 1.0492 -0.4665 0.087 Uiso 1 1 calc R . .
C82 C 0.5146(2) 1.13444(19) -0.41602(16) 0.0757(9) Uani 1 1 d . . .
H82 H 0.4437 1.1467 -0.4306 0.091 Uiso 1 1 calc R . .
C83 C 0.5475(2) 1.17488(17) -0.37282(16) 0.0725(9) Uani 1 1 d . . .
H83 H 0.4989 1.2144 -0.3581 0.087 Uiso 1 1 calc R . .
C84 C 0.6527(2) 1.15679(15) -0.35129(14) 0.0625(7) Uani 1 1 d . . .
H84 H 0.6743 1.1839 -0.3216 0.075 Uiso 1 1 calc R . .
O5 O 0.98205(17) 0.91228(11) -0.24803(11) 0.0811(6) Uani 1 1 d . . .
C85 C 1.0675(4) 0.8505(2) -0.2305(3) 0.162(2) Uani 1 1 d . . .
H85A H 1.1367 0.8636 -0.2455 0.194 Uiso 1 1 calc R . .
H85B H 1.0678 0.8355 -0.1817 0.194 Uiso 1 1 calc R . .
C86 C 1.0516(4) 0.7930(3) -0.2618(4) 0.202(3) Uani 1 1 d . . .
H86A H 1.0521 0.7488 -0.2284 0.243 Uiso 1 1 calc R . .
H86B H 1.1096 0.7819 -0.2952 0.243 Uiso 1 1 calc R . .
C87 C 0.9500(4) 0.8144(3) -0.2941(3) 0.163(2) Uani 1 1 d . . .
H87A H 0.9602 0.8135 -0.3425 0.196 Uiso 1 1 calc R . .
H87B H 0.9025 0.7807 -0.2754 0.196 Uiso 1 1 calc R . .
C88 C 0.9055(4) 0.8861(2) -0.2818(3) 0.155(2) Uani 1 1 d . . .
H88A H 0.8397 0.8861 -0.2538 0.186 Uiso 1 1 calc R . .
H88B H 0.8873 0.9187 -0.3244 0.186 Uiso 1 1 calc R . .
O6 O 1.09546(15) 1.17505(10) -0.33942(10) 0.0735(5) Uani 1 1 d . . .
C89 C 1.1747(3) 1.2020(2) -0.3083(2) 0.1145(14) Uani 1 1 d . . .
H89A H 1.2003 1.1678 -0.2678 0.137 Uiso 1 1 calc R . .
H89B H 1.2361 1.2066 -0.3395 0.137 Uiso 1 1 calc R . .
C90 C 1.1242(4) 1.2728(2) -0.2910(3) 0.151(2) Uani 1 1 d . . .
H90A H 1.1170 1.2699 -0.2421 0.181 Uiso 1 1 calc R . .
H90B H 1.1679 1.3092 -0.3087 0.181 Uiso 1 1 calc R . .
C91 C 1.0205(4) 1.2940(2) -0.3197(3) 0.158(2) Uani 1 1 d . . .
H91A H 1.0158 1.3398 -0.3515 0.190 Uiso 1 1 calc R . .
H91B H 0.9646 1.3017 -0.2844 0.190 Uiso 1 1 calc R . .
C92 C 1.0059(3) 1.2362(2) -0.3537(3) 0.1417(19) Uani 1 1 d . . .
H92A H 1.0027 1.2534 -0.4022 0.170 Uiso 1 1 calc R . .
H92B H 0.9384 1.2208 -0.3380 0.170 Uiso 1 1 calc R . .
C93 C 0.9661(3) 1.0201(2) -0.11103(16) 0.0863(10) Uani 1 1 d . . .
H93 H 1.0241 0.9927 -0.0854 0.104 Uiso 1 1 calc R . .
C94 C 0.8758(4) 0.9946(2) -0.12512(19) 0.1013(12) Uani 1 1 d . . .
H94 H 0.8618 0.9473 -0.1107 0.122 Uiso 1 1 calc R . .
C95 C 0.8099(3) 1.0534(3) -0.16505(19) 0.0948(12) Uani 1 1 d . . .
H95 H 0.7436 1.0523 -0.1821 0.114 Uiso 1 1 calc R . .
C96 C 0.8593(3) 1.1129(2) -0.17488(17) 0.0876(10) Uani 1 1 d . . .
H96 H 0.8328 1.1592 -0.1999 0.105 Uiso 1 1 calc R . .
C97 C 0.9552(3) 1.0924(2) -0.14129(18) 0.0838(10) Uani 1 1 d . . .
H97 H 1.0043 1.1228 -0.1395 0.101 Uiso 1 1 calc R . .
C98 C 1.2741(3) 1.0351(2) -0.42091(18) 0.0875(10) Uani 1 1 d . . .
H98 H 1.3390 1.0355 -0.4017 0.105 Uiso 1 1 calc R . .
C99 C 1.2241(3) 0.97638(19) -0.41356(17) 0.0853(10) Uani 1 1 d . . .
H99 H 1.2493 0.9296 -0.3889 0.102 Uiso 1 1 calc R . .
C100 C 1.1295(3) 0.9979(2) -0.4490(2) 0.0953(11) Uani 1 1 d . . .
H100 H 1.0796 0.9685 -0.4521 0.114 Uiso 1 1 calc R . .
C101 C 1.1222(3) 1.0704(3) -0.47880(17) 0.0934(11) Uani 1 1 d . . .
H101 H 1.0665 1.0988 -0.5058 0.112 Uiso 1 1 calc R . .
C102 C 1.2125(4) 1.0940(2) -0.46160(19) 0.0965(11) Uani 1 1 d . . .
H102 H 1.2285 1.1408 -0.4750 0.116 Uiso 1 1 calc R . .
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
Mg1 O1 2.074(2) . ?
Mg1 C1 2.185(3) . ?
Mg1 C9 2.277(3) . ?
Mg1 C29 2.397(4) . ?
Mg1 C28 2.400(4) . ?
Mg1 C25 2.410(3) . ?
Mg1 C26 2.415(4) . ?
Mg1 C27 2.432(4) . ?
Mg1 Mg2 3.0503(13) . ?
Mg2 O2 2.048(2) . ?
Mg2 C9 2.197(3) . ?
Mg2 C1 2.266(3) . ?
Mg2 C34 2.394(4) . ?
Mg2 C30 2.410(4) . ?
Mg2 C31 2.419(4) . ?
Mg2 C32 2.424(5) . ?
Mg2 C33 2.429(5) . ?
C1 C2 1.202(3) . ?
C2 C3 1.442(3) . ?
C3 C4 1.367(3) . ?
C3 C8 1.388(3) . ?
C4 C5 1.398(4) . ?
C5 C6 1.365(4) . ?
C6 C7 1.348(4) . ?
C7 C8 1.384(4) . ?
C9 C10 1.200(3) . ?
C10 C11 1.445(3) . ?
C11 C12 1.385(3) . ?
C11 C16 1.390(3) . ?
C12 C13 1.380(4) . ?
C13 C14 1.367(4) . ?
C14 C15 1.372(4) . ?
C15 C16 1.381(4) . ?
O1 C20 1.406(4) . ?
O1 C17 1.428(3) . ?
C17 C18 1.467(4) . ?
C18 C19 1.482(4) . ?
C19 C20 1.423(4) . ?
O2 C24 1.373(4) . ?
O2 C21 1.409(4) . ?
C21 C22 1.422(5) . ?
C22 C23 1.378(5) . ?
C23 C24 1.418(5) . ?
C25 C29 1.332(5) . ?
C25 C26 1.378(6) . ?
C26 C27 1.379(6) . ?
C27 C28 1.309(6) . ?
C28 C29 1.330(6) . ?
C30 C31 1.304(6) . ?
C30 C34 1.347(6) . ?
C31 C32 1.330(7) . ?
C32 C33 1.360(8) . ?
C33 C34 1.312(7) . ?
Mg3 O3 2.046(2) . ?
Mg3 C43 2.188(3) . ?
Mg3 C35 2.279(3) . ?
Mg3 C61 2.407(5) . ?
Mg3 C60 2.409(4) . ?
Mg3 C59 2.417(4) . ?
Mg3 C62 2.421(5) . ?
Mg3 C63 2.425(4) . ?
Mg3 Mg4 3.0739(13) . ?
Mg4 O4 2.034(2) . ?
Mg4 C35 2.196(3) . ?
Mg4 C43 2.285(3) . ?
Mg4 C68 2.402(3) . ?
Mg4 C64 2.418(3) . ?
Mg4 C67 2.427(4) . ?
Mg4 C66 2.444(4) . ?
Mg4 C65 2.458(4) . ?
C35 C36 1.202(3) . ?
C36 C37 1.448(3) . ?
C37 C42 1.386(4) . ?
C37 C38 1.389(3) . ?
C38 C39 1.378(4) . ?
C39 C40 1.352(4) . ?
C40 C41 1.370(4) . ?
C41 C42 1.381(4) . ?
C43 C44 1.197(3) . ?
C44 C45 1.446(3) . ?
C45 C46 1.376(3) . ?
C45 C50 1.376(3) . ?
C46 C47 1.388(4) . ?
C47 C48 1.368(4) . ?
C48 C49 1.370(4) . ?
C49 C50 1.385(4) . ?
O3 C54 1.333(4) . ?
O3 C51 1.413(4) . ?
C51 C52 1.452(5) . ?
C52 C53 1.390(5) . ?
C53 C54 1.404(5) . ?
O4 C58 1.401(4) . ?
O4 C55 1.413(4) . ?
C55 C56 1.444(5) . ?
C56 C57 1.434(5) . ?
C57 C58 1.417(5) . ?
C59 C63 1.302(6) . ?
C59 C60 1.321(7) . ?
C60 C61 1.397(8) . ?
C61 C62 1.340(9) . ?
C62 C63 1.309(6) . ?
C64 C65 1.322(5) . ?
C64 C68 1.332(5) . ?
C65 C66 1.375(6) . ?
C66 C67 1.380(6) . ?
C67 C68 1.371(6) . ?
Mg5 O5 2.046(2) . ?
Mg5 C69 2.203(3) . ?
Mg5 C77 2.247(3) . ?
Mg5 C93 2.414(3) . ?
Mg5 C97 2.422(3) . ?
Mg5 C96 2.427(3) . ?
Mg5 C94 2.423(3) . ?
Mg5 C95 2.427(3) . ?
Mg5 Mg6 3.0173(13) . ?
Mg6 O6 2.045(2) . ?
Mg6 C77 2.191(3) . ?
Mg6 C69 2.265(3) . ?
Mg6 C100 2.414(3) . ?
Mg6 C99 2.422(3) . ?
Mg6 C101 2.433(3) . ?
Mg6 C98 2.435(3) . ?
Mg6 C102 2.451(3) . ?
C69 C70 1.206(3) . ?
C70 C71 1.445(3) . ?
C71 C72 1.385(3) . ?
C71 C76 1.390(3) . ?
C72 C73 1.370(3) . ?
C73 C74 1.367(4) . ?
C74 C75 1.374(4) . ?
C75 C76 1.372(3) . ?
C77 C78 1.203(3) . ?
C78 C79 1.449(3) . ?
C79 C84 1.381(3) . ?
C79 C80 1.400(3) . ?
C80 C81 1.378(3) . ?
C81 C82 1.360(4) . ?
C82 C83 1.374(4) . ?
C83 C84 1.379(4) . ?
O5 C88 1.423(4) . ?
O5 C85 1.417(4) . ?
C85 C86 1.385(5) . ?
C86 C87 1.425(6) . ?
C87 C88 1.395(5) . ?
O6 C89 1.428(3) . ?
O6 C92 1.433(4) . ?
C89 C90 1.428(5) . ?
C90 C91 1.417(5) . ?
C91 C92 1.415(5) . ?
C93 C97 1.365(4) . ?
C93 C94 1.387(4) . ?
C94 C95 1.395(5) . ?
C95 C96 1.363(5) . ?
C96 C97 1.375(4) . ?
C98 C99 1.358(4) . ?
C98 C102 1.378(5) . ?
C99 C100 1.381(4) . ?
C100 C101 1.369(5) . ?
C101 C102 1.388(5) . ?
