data_4060230
_publ_section_title
;
Syntheses and Molecular Structure of [Mg2(OR)4(AlMe3)2] and [ZrCl3(OR)2(AlMe2)]
(OR = 1-methoxy-2-propoxide). Józef Utko, Agnieszka Lizurek, Lucjan B. Jerzykie
wicz, and Piotr Sobota Organometallics; 2004; 23(2) pp 296 - 298; (Note)
;
_chemical_formula_sum   'C10 H24 Al Cl3 O4 Zr'
_cell_length_a       18.340(4)
_cell_length_b       10.932(2)
_cell_length_c       9.062(2)
_cell_angle_alpha    90.00
_cell_angle_beta     90.00
_cell_angle_gamma    90.00
_cell_volume          1816.87
_symmetry_space_group_name_H-M   'Pnma'
loop_
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_Biso
Zr ? ? 0.29774(2) 0.2500 0.39303(4) 1 0.01593(14)
Cl1 ? ? 0.36365(6) 0.2500 0.62808(11) 1 0.0256(3)
Cl2 ? ? 0.23929(6) 0.2500 0.15099(12) 1 0.0269(3)
Cl3 ? ? 0.18406(7) 0.2500 0.53820(15) 1 0.0394(3)
Al ? ? 0.45381(7) 0.2500 0.24374(16) 1 0.0285(3)
O10 ? ? 0.26821(13) 0.0460(2) 0.4007(2) 1 0.0311(5)
O11 ? ? 0.38495(11) 0.14181(19) 0.3082(2) 1 0.0249(5)
C1 ? ? 0.4639(3) 0.2500 0.0300(6) 1 0.0532(16)
H1A ? ? 0.5151 0.2500 0.0028 1 0.080
H1B ? ? 0.4414 0.1783 -0.0092 1 0.080
C2 ? ? 0.5408(3) 0.2500 0.3673(7) 1 0.0458(14)
H2A ? ? 0.5616 0.1694 0.3690 1 0.069
H2B ? ? 0.5276 0.2500 0.4658 1 0.069
C11 ? ? 0.4521(2) -0.0465(4) 0.2679(5) 1 0.0528(12)
H11A ? ? 0.4474 -0.1334 0.2807 1 0.079
H11B ? ? 0.4936 -0.0178 0.3222 1 0.079
H11C ? ? 0.4584 -0.0283 0.1651 1 0.079
C12 ? ? 0.3865(3) 0.0140(4) 0.3224(10) 1 0.112(3)
H12 ? ? 0.4037 0.0164 0.4247 1 0.134
C13 ? ? 0.3248(3) -0.0359(4) 0.3568(7) 1 0.089(2)
H13A ? ? 0.3332 -0.0933 0.4366 1 0.106
H13B ? ? 0.3077 -0.0825 0.2725 1 0.106
C14 ? ? 0.1977(3) -0.0055(4) 0.3621(5) 1 0.0610(14)
H14A ? ? 0.1965 -0.0228 0.2583 1 0.091
H14B ? ? 0.1600 0.0521 0.3861 1 0.091
H14C ? ? 0.1901 -0.0797 0.4165 1 0.091