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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/01/2000188.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000188
loop_
_publ_author_name
'Wang, J.-C.'
'Sun, C.-H.'
'Chow, T. J.'
'Liu, L.-K.'
_publ_section_title
;Structure of dicarbonylbis(η²-dimethyl
 7-acetyl-7-azabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate-κN)molybdenum(0)
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2459
_journal_page_last               2461
_journal_paper_doi               10.1107/S0108270191007217
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C26 H34 Mo N2 O12'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.742(6)
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   61.350(4)
_cell_length_b                   10.4370(4)
_cell_length_c                   17.7387(14)
_cell_volume                     11194.5(12)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54056
_exptl_absorpt_coefficient_mu    4.47
_exptl_crystal_density_diffrn    1.57
_exptl_crystal_F_000             5472
_cod_data_source_file            cr0302.cif
_cod_data_source_block           cr0302a
_cod_original_cell_volume        11194.5(18)
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C26 H34 N2 O12 Mo'
_cod_database_code               2000188
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mo1 .437810(10) .31091(5) .98937(3) 2.499(9)
Mo2 .187640(10) .32159(5) .22485(3) 2.690(10)
O01 .41068(9) .4057(5) .8356(3) 5.80(10)
O02 .47567(7) .3171(5) .8929(3) 5.50(10)
O51 .41270(10) .6340(6) .1068(3) 8.9(2)
O52 .40161(7) .5719(4) .9889(2) 4.00(10)
O61 .43937(7) .6498(5) .9256(3) 4.70(10)
O62 .47569(7) .6164(5) .9480(3) 5.40(10)
O71 .46332(7) .2049(5) .2074(2) 4.40(10)
O121 .46752(8) .0034(6) .9546(3) 6.20(10)
O122 .46177(7) .9623(5) .0724(3) 5.00(10)
O131 .43855(8) .1137(6) .8259(3) 5.80(10)
O132 .40423(8) .0457(6) .8190(3) 6.70(10)
O141 .40017(7) .2497(5) .1543(2) 5.10(10)
N1 .46076(7) .3440(5) .1069(3) 2.90(10)
N2 .40905(7) .2080(5) .0375(3) 3.00(10)
C01 .42010(10) .3715(6) .8935(3) 3.40(10)
C02 .46220(10) .3138(6) .9302(3) 3.40(10)
C1 .47397(9) .4523(6) .0784(3) 3.30(10)
C2 .47730(10) .5416(7) .1480(4) 3.90(10)
C3 .45980(10) .5289(7) .1836(4) 4.1(2)
C4 .44449(9) .4285(6) .1380(3) 3.20(10)
C5 .43489(9) .4841(6) .0575(3) 2.80(10)
C51 .41550(10) .5725(6) .0536(3) 3.60(10)
C52 .38280(10) .6597(7) .9795(5) 5.2(2)
C6 .45374(9) .5006(6) .0201(3) 2.80(10)
C61 .45758(9) .5942(6) .9624(3) 3.40(10)
C62 .44150(10) .7324(8) .8610(4) 6.1(2)
C7 .47220(10) .2483(6) .1564(3) 3.50(10)
C71 .49420(10) .2069(7) .1401(4) 4.4(2)
C8 .39890(10) .1461(6) .9624(3) 3.30(10)
C9 .39240(10) .0147(7) .9882(4) 4.1(2)
C10 .40700(10) .9835(7) .0513(4) 4.3(2)
C11 .42350(9) .0942(6) .0672(3) 3.20(10)
C12 .43732(9) .1013(6) .0017(3) 3.00(10)
C121 .45680(10) .0194(6) .0041(4) 3.80(10)
C122 .48180(10) .8800(8) .0835(5) 6.5(2)
C13 .42170(10) .1355(6) .9340(3) 3.20(10)
C131 .42070(10) .0921(6) .8549(4) 4.1(2)
C132 .4391(2) .0700(10) .7480(4) 7.3(2)
C14 .39504(9) .2591(6) .0863(4) 3.70(10)
C141 .37470(10) .3324(7) .0474(4) 4.5(2)
O03 .15591(7) .3699(5) .0718(3) 4.90(10)
O04 .22362(7) .4011(6) .1283(3) 6.40(10)
O191 .14887(9) .0718(6) .1397(3) 7.60(10)
O192 .15449(7) .9781(5) .2530(3) 4.90(10)
O201 .21796(8) .0519(7) .0923(3) 9.5(2)
O202 .18409(8) .1120(6) .0566(3) 6.70(10)
O211 .21757(8) .2101(6) .4381(3) 5.70(10)
O261 .18938(7) .6515(5) .1518(3) 5.90(10)
O262 .15308(8) .6585(6) .1471(3) 7.0(2)
O271 .22453(8) .6003(6) .2825(3) 6.40(10)
O272 .21401(8) .5926(6) .3963(3) 6.80(10)
O281 .15581(7) .2246(5) .4005(3) 5.20(10)
N3 .21129(8) .1868(5) .3089(3) 3.50(10)
N4 .16240(7) .3615(5) .3072(3) 3.10(10)
C03 .16715(9) .3500(6) .1292(3) 3.30(10)
C04 .21080(10) .3724(7) .1650(4) 3.90(10)
C15 .22160(10) .1231(7) .2462(3) 4.0(2)
C16 .22310(10) .9838(8) .2734(4) 4.9(2)
C17 .20610(10) .9615(7) .3116(4) 4.8(2)
C18 .19350(10) .0881(6) .3116(3) 3.50(10)
C19 .18219(9) .1141(6) .2285(3) 3.00(10)
C191 .16050(10) .0536(7) .1999(4) 4.1(2)
C192 .13320(10) .9126(8) .2350(4) 5.5(2)
C20 .19999(9) .1357(6) .1858(3) 3.30(10)
C201 .20140(10) .0973(7) .1071(4) 4.1(2)
C202 .18460(10) .0685(9) .9798(4) 6.8(2)
C21 .22550(10) .2202(8) .3801(4) 4.5(2)
C211 .24800(10) .2680(10) .3749(4) 6.3(2)
C22 .32090(10) .0606(7) .6374(3) 3.70(10)
C23 .16390(10) .5442(7) .3865(4) 4.6(2)
C24 .14770(10) .5663(7) .3261(4) 4.7(2)
C25 .15165(9) .4768(6) .2618(3) 3.50(10)
C26 .17354(9) .5173(6) .2353(3) 3.20(10)
C261 .17120(10) .6183(7) .1754(4) 4.0(2)
C262 .18740(10) .7466(9) .0893(5) 7.5(2)
C27 .19098(9) .4915(6) .2991(3) 3.30(10)
C271 .21140(10) .5681(7) .3215(4) 4.3(2)
C272 .23440(10) .6611(9) .4308(5) 7.4(2)
C28 .14830(10) .2739(7) .3395(3) 3.90(10)
C281 .12590(10) .2484(8) .2938(4) 4.9(2)
