Structures by: Shi J.
Total: 287
2(C42H39.5Mo2N6O8),2(CH2Cl2)
2(C42H39.5Mo2N6O8),2(CH2Cl2)
Nanoscale (2020) 12, 18 10320-10327
a=15.1713(5)Å b=14.8958(4)Å c=22.0423(12)Å
α=90° β=106.726(4)° γ=90°
2(C21H19MoN3O4)
2(C21H19MoN3O4)
Nanoscale (2020) 12, 18 10320-10327
a=12.1607(14)Å b=12.8866(16)Å c=13.6260(12)Å
α=76.922(9)° β=89.914(8)° γ=69.182(11)°
C37H28N4O3
C37H28N4O3
Materials Chemistry Frontiers (2019) 3, 10 2072
a=26.686(5)Å b=16.726(3)Å c=14.573(3)Å
α=90° β=107.70(3)° γ=90°
C40H28N4
C40H28N4
Materials Chemistry Frontiers (2019) 3, 7 1385
a=26.013(6)Å b=12.858(2)Å c=10.6428(18)Å
α=90° β=104.932(10)° γ=90°
C44H46N2O4
C44H46N2O4
Materials Chemistry Frontiers (2019) 3, 6 1105
a=6.3304(13)Å b=7.2037(14)Å c=20.473(4)Å
α=89.41(3)° β=89.13(3)° γ=76.08(3)°
C29H23NO
C29H23NO
Materials Chemistry Frontiers (2019) 3, 2 284
a=45.210(9)Å b=6.1483(12)Å c=7.4490(15)Å
α=90° β=90° γ=90°
C29H20N2
C29H20N2
Materials Chemistry Frontiers (2019) 3, 2 284
a=8.7745(18)Å b=11.508(2)Å c=20.298(4)Å
α=90° β=90° γ=90°
C31H27N
C31H27N
Materials Chemistry Frontiers (2019) 3, 2 284
a=42.454(9)Å b=11.064(2)Å c=9.786(2)Å
α=90° β=94.49(3)° γ=90°
C29H23NO
C29H23NO
Materials Chemistry Frontiers (2019) 3, 2 284
a=31.660(6)Å b=5.9010(12)Å c=22.932(5)Å
α=90° β=100.11(3)° γ=90°
C3H7NO,C29H20N2
C3H7NO,C29H20N2
Materials Chemistry Frontiers (2019) 3, 2 284
a=23.528(5)Å b=6.0582(12)Å c=17.914(4)Å
α=90° β=93.56(3)° γ=90°
C29H20N2
C29H20N2
Materials Chemistry Frontiers (2019) 3, 2 284
a=8.4662(17)Å b=15.145(3)Å c=17.692(4)Å
α=106.62(3)° β=95.32(3)° γ=91.57(3)°
F6P,C39H37N2O2
F6P,C39H37N2O2
Materials Chemistry Frontiers (2019) 3, 1 57
a=11.951(2)Å b=15.590(3)Å c=18.828(4)Å
α=90° β=97.29(3)° γ=90°
2(C16H10N2)
2(C16H10N2)
Materials Chemistry Frontiers (2018) 2, 6 1175
a=6.6509(6)Å b=7.9140(6)Å c=12.3019(11)Å
α=90.852(6)° β=104.072(7)° γ=112.181(7)°
C38H30N2O8
C38H30N2O8
Materials Chemistry Frontiers (2018) 2, 6 1175
a=11.1457(11)Å b=11.6511(12)Å c=13.2828(14)Å
α=82.622(3)° β=83.818(3)° γ=80.790(3)°
C34H26N2O4
C34H26N2O4
Materials Chemistry Frontiers (2018) 2, 6 1175
a=12.3284(6)Å b=6.1277(3)Å c=20.3379(11)Å
α=90.00° β=105.907(5)° γ=90.00°
C42H46N2
C42H46N2
Materials Chemistry Frontiers (2018) 2, 6 1175
a=12.144(8)Å b=8.484(6)Å c=17.017(11)Å
α=90.00° β=100.58(2)° γ=90.00°
C36H34N2
C36H34N2
Materials Chemistry Frontiers (2018) 2, 6 1175
a=6.0988(12)Å b=11.519(2)Å c=11.831(2)Å
α=116.842(5)° β=104.607(6)° γ=91.839(6)°
2(C16H10N2)
2(C16H10N2)
Materials Chemistry Frontiers (2018) 2, 6 1175
a=6.0244(7)Å b=9.5199(11)Å c=10.6867(14)Å
α=97.209(10)° β=98.460(10)° γ=102.006(10)°
C40H38N2O4
C40H38N2O4
Materials Chemistry Frontiers (2018) 2, 6 1175
a=9.068(4)Å b=12.768(5)Å c=15.473(6)Å
α=75.908(7)° β=78.601(8)° γ=75.752(7)°
C40H38N2O4
C40H38N2O4
Materials Chemistry Frontiers (2018) 2, 6 1175
a=5.6456(11)Å b=12.856(3)Å c=22.586(5)Å
α=90.00° β=96.79(3)° γ=90.00°
2(C3H7NO),C34H18N6
2(C3H7NO),C34H18N6
Materials Chemistry Frontiers (2018) 2, 6 1175
a=11.720(2)Å b=6.2246(12)Å c=23.409(5)Å
α=90.00° β=99.65(3)° γ=90.00°
C22H20S7Si2
C22H20S7Si2
Organic Chemistry Frontiers (2018) 5, 8 1257
a=19.710(4)Å b=13.215(3)Å c=10.489(2)Å
α=90.00° β=103.753(3)° γ=90.00°
C11H11BrS3Si
C11H11BrS3Si
Organic Chemistry Frontiers (2018) 5, 8 1257
a=12.594(5)Å b=7.353(3)Å c=15.175(6)Å
α=90.00° β=90.00° γ=90.00°
C11H11BrS3Si
C11H11BrS3Si
Organic Chemistry Frontiers (2018) 5, 8 1257
a=11.5286(10)Å b=15.8164(13)Å c=8.4588(7)Å
α=90.00° β=110.1900(10)° γ=90.00°
ZZ-HPB-CN
C48H30N4
Materials Chemistry Frontiers (2017) 1, 12 2569
a=14.768(16)Å b=15.377(17)Å c=16.689(18)Å
α=90° β=90° γ=90°
C9H8Cl2N1.33O,C9H7.78Cl2N1.33O
C9H8Cl2N1.33O,C9H7.78Cl2N1.33O
Materials Chemistry Frontiers (2017) 1, 6 1041
a=14.7047(4)Å b=14.7047(4)Å c=23.9058(8)Å
α=90° β=90° γ=120°
C27H30N4O3
C27H30N4O3
Materials Chemistry Frontiers (2017) 1, 6 1041
a=9.8325(10)Å b=11.2257(10)Å c=22.882(2)Å
α=90° β=98.783(9)° γ=90°
C30H34N4O6
C30H34N4O6
Materials Chemistry Frontiers (2017) 1, 6 1041
a=6.29545(12)Å b=15.9502(4)Å c=28.8235(7)Å
α=90° β=90° γ=90°
2(C39H54N4O3)
2(C39H54N4O3)
Materials Chemistry Frontiers (2017) 1, 6 1041
a=12.9272(4)Å b=13.0256(4)Å c=23.4928(6)Å
α=82.005(2)° β=79.707(2)° γ=86.311(2)°
C19H20N4O10,2(H2O)
C19H20N4O10,2(H2O)
Chemical Science (2019)
a=6.9557(8)Å b=7.4897(8)Å c=41.571(5)Å
α=90° β=90° γ=90°
C21H17BrF3N3O3
C21H17BrF3N3O3
Journal of medicinal chemistry (2018)
a=10.3211(4)Å b=19.6960(7)Å c=21.4630(9)Å
α=90.00° β=90.00° γ=90.00°
2-(3-Chlorophenyl)-3,4-dihydrobenzo[<i>f</i>][1,4]oxazepin-5(2<i>H</i>)-one
C15H12ClNO2
IUCrData (2018) 3, 4 x180587
a=7.2162(15)Å b=8.0068(14)Å c=11.650(3)Å
α=80.123(17)° β=84.570(18)° γ=88.084(15)°
C20H14F6N2O4S2
C20H14F6N2O4S2
Organic letters (2016) 18, 13 3130-3133
a=9.2794(3)Å b=11.1179(4)Å c=12.0380(4)Å
α=84.916(3)° β=69.397(3)° γ=79.875(3)°
C24H17ClN2O3
C24H17ClN2O3
Organic letters (2016) 18, 3 380-383
a=14.8316(3)Å b=16.4395(3)Å c=7.8011(2)Å
α=90.00° β=93.2770(10)° γ=90.00°
C26H22Cl2N2O4
C26H22Cl2N2O4
Organic letters (2016) 18, 3 380-383
a=9.9210(9)Å b=17.9238(15)Å c=12.9555(11)Å
α=90.00° β=90.022° γ=90.00°
2(C17H12BrO9S),CdH12O6,2(H2O)
2(C17H12BrO9S),CdH12O6,2(H2O)
Inorganica Chimica Acta (2014) 409B, 259-264
a=8.3303(8)Å b=8.8013(8)Å c=15.6701(14)Å
α=96.209(2)° β=104.168(1)° γ=104.003(2)°
2(C17H12BrO9S),CoH12O6,2(H2O)
2(C17H12BrO9S),CoH12O6,2(H2O)
Inorganica Chimica Acta (2014) 409B, 259-264
a=8.2655(8)Å b=8.6640(9)Å c=15.7231(15)Å
α=95.879(2)° β=104.034(1)° γ=104.262(2)°
2(C17H12BrO9S),H12O6Zn,2(H2O)
2(C17H12BrO9S),H12O6Zn,2(H2O)
Inorganica Chimica Acta (2014) 409B, 259-264
a=8.2700(15)Å b=8.6609(16)Å c=15.721(3)Å
α=95.780(2)° β=103.932(3)° γ=104.237(2)°
2(C17H12BrO9S),FeH12O6,2(H2O)
2(C17H12BrO9S),FeH12O6,2(H2O)
Inorganica Chimica Acta (2014) 409B, 259-264
a=8.2811(13)Å b=8.6908(14)Å c=15.713(3)Å
α=95.845(2)° β=104.157(1)° γ=104.386(2)°
2(C17H12BrO9S),H12NiO6,2(H2O)
2(C17H12BrO9S),H12NiO6,2(H2O)
Inorganica Chimica Acta (2014) 409B, 259-264
a=8.2621(9)Å b=8.6303(9)Å c=15.7267(17)Å
α=95.604(2)° β=103.893(3)° γ=104.322(1)°
2(C17H12BrO9S),H12MgO6,2(H2O)
2(C17H12BrO9S),H12MgO6,2(H2O)
Inorganica Chimica Acta (2014) 409B, 259-264
a=8.2735(14)Å b=8.6467(16)Å c=15.725(3)Å
α=95.879(3)° β=104.021(2)° γ=104.274(3)°
Compd-2
C46H40S12Si2
Organic Letters (2010) 12, 3 456-459
a=16.816(3)Å b=16.811(3)Å c=38.298(7)Å
α=90.00° β=90.00° γ=90.00°
C24H12N2S2
C24H12N2S2
The journal of physical chemistry. A (2014) 118, 15 7844
a=8.5690(19)Å b=9.647(2)Å c=13.030(3)Å
α=69.226(5)° β=72.615(4)° γ=79.106(4)°
C21H12OS2
C21H12OS2
The journal of physical chemistry. A (2014) 118, 15 7844
a=9.4678(14)Å b=20.285(3)Å c=9.5649(13)Å
α=90.00° β=116.620(3)° γ=90.00°
Compd-2
C46H40S12Si4
Organic Letters (2010) 12, 3 456-459
a=16.816(3)Å b=16.811(3)Å c=38.298(7)Å
α=90.00° β=90.00° γ=90.00°
C16H20N4O5Zn
C16H20N4O5Zn
Inorganica Chimica Acta (2013) 402, 25-32
a=8.9744(7)Å b=13.3520(10)Å c=15.3503(11)Å
α=90.00° β=92.5450(10)° γ=90.00°
C16H22N4O5Zn
C16H22N4O5Zn
Inorganica Chimica Acta (2013) 402, 25-32
a=15.910(5)Å b=8.949(3)Å c=13.459(4)Å
α=90.00° β=90.00° γ=90.00°
C17H24N4O5Zn
C17H24N4O5Zn
Inorganica Chimica Acta (2013) 402, 25-32
a=9.4700(13)Å b=8.8874(12)Å c=11.3366(15)Å
α=90.00° β=94.809(2)° γ=90.00°
C24H24N6O6Zn
C24H24N6O6Zn
Inorganica Chimica Acta (2013) 402, 25-32
a=8.7076(14)Å b=15.686(3)Å c=19.368(3)Å
α=90.00° β=90.00° γ=90.00°
C30H44S4Si4
C30H44S4Si4
Organic letters (2013) 15, 2 354-357
a=10.779(6)Å b=6.217(4)Å c=27.444(16)Å
α=90.00° β=93.000(6)° γ=90.00°
C110H140S16Si12
C110H140S16Si12
Organic letters (2013) 15, 2 354-357
a=12.183(7)Å b=16.129(9)Å c=16.620(10)Å
α=100.265(10)° β=92.579(11)° γ=90.124(11)°
Compd-2
C46H40S12Si4
Organic Letters (2010) 12, 3 456-459
a=16.816(3)Å b=16.811(3)Å c=38.298(7)Å
α=90.00° β=90.00° γ=90.00°
Compd-3
C48H42Cl6O2S12Si4
Organic letters (2010) 12, 3 456-459
a=12.9084(8)Å b=12.9205(8)Å c=38.481(2)Å
α=91.9850(10)° β=97.3640(10)° γ=91.0750(10)°
Compd-1
C24H22S6Si2
Organic letters (2010) 12, 3 456-459
a=8.9624(8)Å b=19.1122(18)Å c=31.228(3)Å
α=90.00° β=90.00° γ=90.00°
Compd-1-p
C24H22S6Si2
Organic letters (2010) 12, 3 456-459
a=8.5149(14)Å b=10.6494(17)Å c=16.510(3)Å
α=74.370(2)° β=89.326(2)° γ=69.807(2)°
Compd-5
C24H22O3.5S6Si2
Organic letters (2010) 12, 3 456-459
a=37.99(3)Å b=17.583(13)Å c=10.968(8)Å
α=90.00° β=102.348(18)° γ=90.00°
C38H44O4
C38H44O4
The Journal of Physical Chemistry C (2012) 116, 41 21967
a=9.4067(12)Å b=10.9795(14)Å c=15.662(2)Å
α=86.970(2)° β=85.990(2)° γ=88.859(2)°
C42H52O4
C42H52O4
The Journal of Physical Chemistry C (2012) 116, 41 21967
a=9.5229(9)Å b=12.0451(13)Å c=32.149(3)Å
α=90.00° β=99.557(3)° γ=90.00°
C15H26O2
C15H26O2
Journal of natural products (2008) 71, 8 1485-1488
a=5.55850(10)Å b=14.6312(2)Å c=17.8717(2)Å
α=90.00° β=90.00° γ=90.00°
C30H34O6
C30H34O6
Journal of natural products (2008) 71, 8 1485-1488
a=7.817(1)Å b=12.20160(10)Å c=26.96230(10)Å
α=90.00° β=90.00° γ=90.00°
C15H20O4
C15H20O4
Journal of natural products (2008) 71, 8 1485-1488
a=14.058(2)Å b=14.058(2)Å c=15.624(3)Å
α=90.00° β=90.00° γ=120.00°
C31H42O13
C31H42O13
Organic letters (2010) 12, 7 1560-1563
a=11.15910(10)Å b=15.29610(10)Å c=18.7549(2)Å
α=90.00° β=90.00° γ=90.00°
C18H16Si
C18H16Si
Macromolecules (2011) 44, 1 68
a=13.613(8)Å b=18.074(12)Å c=6.101(4)Å
α=90.00° β=98.365(8)° γ=90.00°
C16H22O10
C16H22O10
Journal of natural products (2011) 74, 10 2151-2160
a=8.4601(17)Å b=11.033(2)Å c=18.202(4)Å
α=90.00° β=90.00° γ=90.00°
C12H13N5O2
C12H13N5O2
Chemical research in toxicology (2008) 21, 2 295-307
a=16.0664(16)Å b=37.184(4)Å c=9.0903(9)Å
α=90.00° β=90.00° γ=90.00°
C10H12BrN3O
C10H12BrN3O
Chemical research in toxicology (2008) 21, 2 295-307
a=8.9232(6)Å b=10.3244(7)Å c=12.4802(8)Å
α=90.00° β=90.00° γ=90.00°
C18H16N4O3
C18H16N4O3
Chemical research in toxicology (2008) 21, 2 295-307
a=8.9484(16)Å b=13.398(2)Å c=14.421(3)Å
α=90.00° β=90.00° γ=90.00°
C33H32OS2
C33H32OS2
Journal of Physical Chemistry C (2007) 111, 17 6544
a=44.525(2)Å b=6.2063(3)Å c=19.6664(9)Å
α=90.00° β=92.087(3)° γ=90.00°
C10H9NO3
C10H9NO3
Chemical research in toxicology (2008) 21, 2 295-307
a=6.6394(5)Å b=9.5228(7)Å c=14.3291(11)Å
α=87.7820(10)° β=89.9770(10)° γ=89.7630(10)°
C10H13NO2
C10H13NO2
Chemical research in toxicology (2008) 21, 2 308-318
a=10.3423(8)Å b=18.6110(14)Å c=4.9272(4)Å
α=90.00° β=96.2160(10)° γ=90.00°
C17H12N2O3
C17H12N2O3
Journal of natural products (2012) 75, 6 1167-1176
a=11.145(3)Å b=14.533(5)Å c=16.506(4)Å
α=90.00(0)° β=90.00(0)° γ=90.00(0)°
C10H8N2O3
C10H8N2O3
Journal of natural products (2012) 75, 6 1167-1176
a=7.031(5)Å b=7.138(8)Å c=17.970(12)Å
α=90.00° β=90.00° γ=90.00°
C29H46O4,C3H6O
C29H46O4,C3H6O
Journal of natural products (2012) 75, 6 1160-1166
a=14.374(6)Å b=7.464(6)Å c=15.053(7)Å
α=90.00° β=116.024(8)° γ=90.00°
C26H56Cu2FeN14,10(H2O)
C26H56Cu2FeN14,10(H2O)
CrystEngComm (2020)
a=18.753(2)Å b=17.8461(13)Å c=15.4856(15)Å
α=90° β=115.938(13)° γ=90°
2(C32H39CuFeN12),2(C1.5H3.5N0.5O0.5),5(H2O)
2(C32H39CuFeN12),2(C1.5H3.5N0.5O0.5),5(H2O)
CrystEngComm (2020)
a=11.7106(14)Å b=14.7097(15)Å c=16.8351(19)Å
α=101.737(9)° β=110.012(11)° γ=104.303(10)°
C20H48CrCu1.5N12O4
C20H48CrCu1.5N12O4
CrystEngComm (2020)
a=9.1335(14)Å b=13.1615(8)Å c=16.0651(19)Å
α=109.386(8)° β=99.006(11)° γ=98.300(9)°
C30H63Cu2MoN17O2
C30H63Cu2MoN17O2
CrystEngComm (2020)
a=9.4783(13)Å b=16.388(3)Å c=16.592(2)Å
α=111.530(14)° β=101.926(12)° γ=106.101(13)°
C30H63Cu2N17O2W
C30H63Cu2N17O2W
CrystEngComm (2020)
a=9.4179(4)Å b=16.2543(9)Å c=16.2716(8)Å
α=110.907(5)° β=101.897(4)° γ=106.357(4)°
C60H84Cl2Cu2Fe2N20O14
C60H84Cl2Cu2Fe2N20O14
CrystEngComm (2020)
a=12.6416(10)Å b=14.7984(14)Å c=38.007(3)Å
α=90° β=90.598(6)° γ=90°
C12H13NO4
C12H13NO4
Org. Biomol. Chem. (2017)
a=4.9045(4)Å b=10.4027(10)Å c=12.0076(10)Å
α=83.328(4)° β=80.762(6)° γ=89.239(6)°
C37H45NO13
C37H45NO13
Org. Biomol. Chem. (2017)
a=11.89730(10)Å b=14.2852(2)Å c=11.9193(2)Å
α=90° β=114.7490(10)° γ=90°
C35H43NO12,2(H2O)
C35H43NO12,2(H2O)
Org. Biomol. Chem. (2017)
a=8.9022(5)Å b=14.9494(8)Å c=27.9430(16)Å
α=90° β=93.499(5)° γ=90°
C19H20INO
C19H20INO
Organic & biomolecular chemistry (2014) 12, 27 5023-5030
a=20.3874(8)Å b=6.9055(3)Å c=12.3088(5)Å
α=90.00° β=90.00° γ=90.00°
C20H32N,C5H3N2O4,H2O
C20H32N,C5H3N2O4,H2O
MedChemComm (2018) 9, 12 2091-2099
a=10.3659(9)Å b=7.0531(6)Å c=16.9815(15)Å
α=90.00° β=92.543(2)° γ=90.00°
CHNO
CHNO
MedChemComm (2018) 9, 12 2091-2099
a=6.9872(5)Å b=15.5151(10)Å c=19.4250(13)Å
α=90.00° β=98.467(2)° γ=90.00°
C18H18NOS,C7H7O3S
C18H18NOS,C7H7O3S
Chemical Communications (2019)
a=8.58630(10)Å b=12.97400(10)Å c=20.2400(2)Å
α=90° β=101.1440(10)° γ=90°
C7H7O3S,C16H14NOS
C7H7O3S,C16H14NOS
Chemical Communications (2019)
a=15.60340(10)Å b=6.94140(10)Å c=19.1717(2)Å
α=90° β=90° γ=90°
C44H142Fe10N28Na4O169P4W32
C44H142Fe10N28Na4O169P4W32
Chemical Communications (2019)
a=14.2296(13)Å b=15.8958(14)Å c=23.381(2)Å
α=75.1990(10)° β=87.3810(10)° γ=68.6250(10)°
C44H134Fe8MoN28O113W18
C44H134Fe8MoN28O113W18
Chemical Communications (2019)
a=11.929(2)Å b=31.857(7)Å c=19.576(4)Å
α=90° β=103.082(3)° γ=90°
C34H29NO5S,CH4O,0.68(H2O)
C34H29NO5S,CH4O,0.68(H2O)
Chem. Commun. (2017)
a=10.795(2)Å b=9.810(2)Å c=58.340(13)Å
α=90° β=90.622(3)° γ=90°
1(C34H29NO3)
1(C34H29NO3)
Chem. Commun. (2017)
a=9.806(2)Å b=10.498(2)Å c=25.685(5)Å
α=88.718(6)° β=87.656(6)° γ=89.387(6)°
C4H19CoNO13P2
C4H19CoNO13P2
New Journal of Chemistry (2009) 33, 4 886
a=9.3817(19)Å b=9.3988(19)Å c=9.776(2)Å
α=82.84(3)° β=62.55(3)° γ=76.32(3)°
C4H27NNiO17P2
C4H27NNiO17P2
New Journal of Chemistry (2009) 33, 4 886
a=11.568(2)Å b=10.689(2)Å c=15.816(3)Å
α=90.00° β=109.17(3)° γ=90.00°
C11H44N8Ni2O18P4
C11H44N8Ni2O18P4
New Journal of Chemistry (2009) 33, 4 886
a=11.315(2)Å b=19.282(4)Å c=14.432(3)Å
α=90.00° β=103.01(3)° γ=90.00°
Ht-dma
C13H13N5
Journal of Materials Chemistry C (2016) 4, 10430-10434
a=12.067(3)Å b=7.0775(17)Å c=15.484(4)Å
α=90° β=110.374(3)° γ=90°
C19H25N5
C19H25N5
Journal of Materials Chemistry C (2016) 4, 10430-10434
a=13.594(3)Å b=13.655(3)Å c=20.363(4)Å
α=90° β=98.363(2)° γ=90°
C38H28N4
C38H28N4
Journal of Materials Chemistry C (2018) 6, 41 11063
a=9.632(7)Å b=16.037(12)Å c=19.704(15)Å
α=96.198(13)° β=96.827(14)° γ=107.054(13)°
C24H16S3
C24H16S3
Journal of Materials Chemistry C (2015) 3, 10856-10861
a=7.4707(12)Å b=5.9227(10)Å c=42.784(7)Å
α=90.00° β=92.760(3)° γ=90.00°
C16H17NO2S
C16H17NO2S
Chem.Commun. (2015) 51, 4599
a=14.3451(14)Å b=5.6024(4)Å c=19.171(2)Å
α=90° β=110.010(11)° γ=90°
20120034
C32H23N3O4
Chemical communications (Cambridge, England) (2015) 51, 14 2925
a=27.800(4)Å b=8.1692(14)Å c=10.9466(18)Å
α=90.00° β=98.172(6)° γ=90.00°