Structures by: Swager T. M.
Total: 101
C50H30Cl4S2
C50H30Cl4S2
Nature Chemistry (2014) 6, 492-497
a=9.4146(16)Å b=10.2146(18)Å c=10.8759(19)Å
α=86.298(3)° β=79.729(3)° γ=65.456(3)°
C26H16S2
C26H16S2
Nature Chemistry (2014) 6, 492-497
a=14.8532(14)Å b=17.3921(15)Å c=7.2295(7)Å
α=90.00° β=90.676(2)° γ=90.00°
C46H30
C46H30
Nature Chemistry (2014) 6, 492-497
a=9.5942(14)Å b=27.260(4)Å c=12.3336(18)Å
α=90.00° β=103.662(4)° γ=90.00°
C17H12O3S2
C17H12O3S2
Macromolecules (2006) 39, 17 5598
a=11.2885(5)Å b=14.1230(6)Å c=17.4374(7)Å
α=90.00° β=90.00° γ=90.00°
C51H68O5
C51H68O5
Macromolecules (2007) 40, 21 7437
a=12.8482(4)Å b=18.7165(5)Å c=19.2753(6)Å
α=90.00° β=108.7730(10)° γ=90.00°
C86.5H118O4
C86.5H118O4
Macromolecules (2007) 40, 21 7437
a=14.9565(8)Å b=15.7696(9)Å c=17.7243(10)Å
α=82.483(2)° β=88.559(2)° γ=65.0160(10)°
C71H85Cl3O4
C71H85Cl3O4
Macromolecules (2006) 39, 6 2013
a=16.6918(8)Å b=20.6408(10)Å c=37.0204(14)Å
α=90.00° β=90.00° γ=90.00°
C64H72O4
C64H72O4
Macromolecules (2006) 39, 6 2013
a=10.0557(5)Å b=14.9830(8)Å c=19.4748(11)Å
α=74.269(2)° β=76.871(2)° γ=71.701(2)°
C70H84O4,0.5(CHCl3)
C70H84O4,0.5(CHCl3)
Macromolecules (2006) 39, 6 2013
a=14.4110(12)Å b=20.9556(17)Å c=20.7622(17)Å
α=90.00° β=102.285(3)° γ=90.00°
C30H32F4O2
C30H32F4O2
Organic letters (2006) 8, 2 273-276
a=7.1616(5)Å b=13.2625(11)Å c=13.4547(11)Å
α=94.215(3)° β=100.102(3)° γ=96.192(3)°
C34H40F4
C34H40F4
Organic letters (2006) 8, 2 273-276
a=4.9461(15)Å b=9.748(3)Å c=28.705(9)Å
α=92.905(9)° β=93.547(9)° γ=92.621(9)°
C34H40F4
C34H40F4
Organic letters (2006) 8, 2 273-276
a=7.9507(13)Å b=16.883(3)Å c=22.692(4)Å
α=107.104(5)° β=99.040(5)° γ=102.780(5)°
C22H16N2
C22H16N2
Organic letters (2010) 12, 22 5302-5305
a=11.7567(9)Å b=11.2192(8)Å c=24.6046(18)Å
α=90.00° β=91.9510(10)° γ=90.00°
C40H24N4
C40H24N4
Organic letters (2010) 12, 22 5302-5305
a=10.6995(9)Å b=11.0327(9)Å c=14.2428(12)Å
α=69.378(3)° β=84.454(3)° γ=67.575(3)°
C32H20N2
C32H20N2
Organic letters (2010) 12, 22 5302-5305
a=10.4667(2)Å b=9.4672(2)Å c=23.0390(4)Å
α=90.00° β=93.1680(10)° γ=90.00°
C20H14N2O
C20H14N2O
Organic letters (2010) 12, 22 5302-5305
a=10.6357(2)Å b=12.4031(2)Å c=22.8030(3)Å
α=90.00° β=90.00° γ=90.00°
C46.75H46.5N2O3.25
C46.75H46.5N2O3.25
Organic letters (2009) 11, 9 1871-1874
a=33.5318(7)Å b=19.5054(4)Å c=11.6487(3)Å
α=90.00° β=95.1410(10)° γ=90.00°
C36H26O2.5
C36H26O2.5
Organic letters (2009) 11, 9 1871-1874
a=11.2172(4)Å b=13.4212(4)Å c=19.4882(6)Å
α=73.8490(10)° β=80.8120(10)° γ=66.3440(10)°
C20H16O2
C20H16O2
Organic letters (2007) 9, 18 3695-3697
a=19.365(4)Å b=11.660(2)Å c=15.931(3)Å
α=90.00° β=124.003(3)° γ=90.00°
C46H66O4Si2
C46H66O4Si2
Organic letters (2010) 12, 6 1292-1295
a=13.6286(4)Å b=10.5494(3)Å c=16.1848(5)Å
α=90.00° β=104.6470(10)° γ=90.00°
C54H86O10Si2
C54H86O10Si2
Organic letters (2010) 12, 6 1292-1295
a=9.0065(4)Å b=12.0657(6)Å c=12.5677(6)Å
α=93.4460(10)° β=94.1180(10)° γ=105.0570(10)°
C49H73O12Os2Si2
C49H73O12Os2Si2
Organic letters (2010) 12, 6 1292-1295
a=16.6965(6)Å b=11.8460(4)Å c=26.3464(9)Å
α=90.00° β=98.0130(10)° γ=90.00°
C46H70O8Si2
C46H70O8Si2
Organic letters (2010) 12, 6 1292-1295
a=12.7591(7)Å b=13.1605(7)Å c=14.7690(7)Å
α=70.182(2)° β=76.378(2)° γ=74.595(3)°
C23H17I2NO2S2
C23H17I2NO2S2
Macromolecules (2010) 43, 12 5233
a=8.6280(3)Å b=14.8751(5)Å c=17.4444(6)Å
α=90.00° β=90.00° γ=90.00°
C41H40I2OS4
C41H40I2OS4
Organic letters (2008) 10, 21 5003-5005
a=11.9286(3)Å b=13.3443(3)Å c=14.1759(6)Å
α=100.7300(10)° β=107.6750(10)° γ=110.30°
C39.5H25.65Cl4.35N2O2
C39.5H25.65Cl4.35N2O2
Org. Biomol. Chem. (2017)
a=12.4015(3)Å b=12.4015(3)Å c=44.3208(11)Å
α=90° β=90° γ=90°
(C62H101P4O27NLa),3(H2O),3(C2H3N),3(Cl)
(C62H101P4O27NLa),3(H2O),3(C2H3N),3(Cl)
Dalton transactions (Cambridge, England : 2003) (2019) 48, 36 13732-13739
a=14.6516(2)Å b=15.3311(3)Å c=20.0375(5)Å
α=92.9160(10)° β=95.4820(10)° γ=92.3270(10)°
C39H40Cl2N2O8
C39H40Cl2N2O8
RSC Advances (2018) 8, 37 20483
a=15.5941(4)Å b=25.2063(6)Å c=17.8185(4)Å
α=90° β=90° γ=90°
C35H37NO10Pt
C35H37NO10Pt
Journal of Materials Chemistry (2008) 18, 4 400
a=10.484(3)Å b=10.860(3)Å c=14.752(3)Å
α=93.617(4)° β=104.214(4)° γ=98.912(4)°
C31H31Cl2NO8PtS
C31H31Cl2NO8PtS
Journal of Materials Chemistry (2008) 18, 4 400
a=20.9960(19)Å b=10.4617(10)Å c=15.1265(14)Å
α=90.00° β=112.4730(10)° γ=90.00°
C30H32F4O2
C30H32F4O2
Organic letters (2006) 8, 2 273-276
a=7.547(3)Å b=11.965(6)Å c=14.843(7)Å
α=79.330(12)° β=82.968(12)° γ=79.947(12)°
C42H30N4O
C42H30N4O
Journal of the American Chemical Society (2017) 139, 13 4894-4900
a=20.5502(7)Å b=7.9367(3)Å c=37.7229(14)Å
α=90° β=90° γ=90°
C58H74Cl2N6O6S6
C58H74Cl2N6O6S6
The Journal of Organic Chemistry (2020)
a=13.4947(3)Å b=14.2983(4)Å c=16.9696(5)Å
α=67.4217(11)° β=72.7655(10)° γ=81.2908(10)°
C24H14O4
C24H14O4
The Journal of organic chemistry (2017) 82, 14 7470-7480
a=7.9933(7)Å b=8.6795(7)Å c=13.2531(11)Å
α=78.2587(13)° β=78.0645(13)° γ=67.9603(12)°
C36H22O5
C36H22O5
The Journal of organic chemistry (2017) 82, 14 7470-7480
a=16.2777(9)Å b=8.0337(5)Å c=19.5542(11)Å
α=90° β=92.8884(11)° γ=90°
C38.5H25ClO4
C38.5H25ClO4
The Journal of organic chemistry (2017) 82, 14 7470-7480
a=9.2129(7)Å b=16.4590(13)Å c=19.8551(16)Å
α=107.8422(14)° β=98.5470(14)° γ=98.6723(13)°
C36H24O5
C36H24O5
The Journal of organic chemistry (2017) 82, 14 7470-7480
a=10.6484(4)Å b=33.8001(13)Å c=7.8681(3)Å
α=90° β=109.0355(14)° γ=90°
C26H16N2S2
C26H16N2S2
Journal of Organic Chemistry (2007) 72, 10166-10180
a=9.9888(4)Å b=15.1872(6)Å c=27.0849(12)Å
α=90.00° β=100.2940(10)° γ=90.00°
C46H42N4O4
C46H42N4O4
Journal of Organic Chemistry (2007) 72, 10166-10180
a=26.0086(9)Å b=8.1958(3)Å c=19.5052(7)Å
α=90.00° β=119.2450(10)° γ=90.00°
C48H30Cl4N4
C48H30Cl4N4
Journal of Organic Chemistry (2007) 72, 10166-10180
a=11.7138(18)Å b=15.935(2)Å c=21.192(3)Å
α=90.00° β=101.380(3)° γ=90.00°
C51.41H41.17N4O2
C51.41H41.17N4O2
Journal of Organic Chemistry (2007) 72, 10166-10180
a=19.1978(5)Å b=19.1978(5)Å c=22.0008(12)Å
α=90.00° β=90.00° γ=90.00°
C26H21N
C26H21N
Journal of Organic Chemistry (2011) 76, 2976-2993
a=8.7826(7)Å b=11.0357(9)Å c=20.1586(16)Å
α=76.0270(10)° β=79.9320(10)° γ=78.4090(10)°
C27H58N2O12S4
C27H58N2O12S4
Journal of Organic Chemistry (2012) 77, 1789-1797
a=15.4577(15)Å b=17.4225(17)Å c=13.5101(14)Å
α=90.00° β=90.00° γ=90.00°
C16H12O2S3
C16H12O2S3
Journal of Organic Chemistry (2010) 75, 999-1005
a=12.7243(6)Å b=7.8174(3)Å c=14.3030(6)Å
α=90.00° β=90.712(2)° γ=90.00°
C16H12O3S3
C16H12O3S3
Journal of Organic Chemistry (2010) 75, 999-1005
a=12.9363(5)Å b=7.8335(3)Å c=14.2432(4)Å
α=90.00° β=91.2880(10)° γ=90.00°
C68H7NO4.75
C68H7NO4.75
Organometallics (2011) 30, 9 2464
a=43.0862(7)Å b=9.9474(2)Å c=17.3483(3)Å
α=90.00° β=92.9840(10)° γ=90.00°
C66H4N2O
C66H4N2O
Organometallics (2011) 30, 9 2464
a=9.9609(3)Å b=19.8662(6)Å c=32.3238(10)Å
α=90.00° β=90.00° γ=90.00°
C79.75H14N2O2Pt
C79.75H14N2O2Pt
Organometallics (2011) 30, 9 2464
a=10.0330(2)Å b=19.3319(3)Å c=23.7425(4)Å
α=105.9730(10)° β=98.6490(10)° γ=99.8030(10)°
4101301
Journal of the American Chemical Society (2006) 128, 24 7995-8002
a=9.2006(2)Å b=8.5041(2)Å c=8.6679(2)Å
α=90.00° β=94.442(1)° γ=90.00°
4101300
Journal of the American Chemical Society (2006) 128, 24 7995-8002
a=41.893(2)Å b=6.8695(3)Å c=8.4203(3)Å
α=90.00° β=90.833(2)° γ=90.00°
C32H20O3
C32H20O3
Journal of the American Chemical Society (2010) 132, 3304-3311
a=14.767(2)Å b=9.1855(12)Å c=16.607(3)Å
α=90.00° β=105.692(6)° γ=90.00°
C34H24O5
C34H24O5
Journal of the American Chemical Society (2010) 132, 3304-3311
a=9.319(3)Å b=10.361(3)Å c=13.908(3)Å
α=86.862(8)° β=87.431(7)° γ=66.934(7)°
C34H24O3
C34H24O3
Journal of the American Chemical Society (2010) 132, 3304-3311
a=10.1757(3)Å b=25.7175(8)Å c=10.2216(3)Å
α=90.00° β=118.3760(10)° γ=90.00°
C32H18Br2O3
C32H18Br2O3
Journal of the American Chemical Society (2010) 132, 3304-3311
a=9.264(5)Å b=10.318(6)Å c=13.601(8)Å
α=84.916(9)° β=86.667(9)° γ=67.450(8)°
C67H6O4S2
C67H6O4S2
Journal of the American Chemical Society (2007) 129, 7714-7715
a=9.9162(2)Å b=12.3631(3)Å c=15.3130(4)Å
α=89.3860(10)° β=84.2830(10)° γ=69.6090(10)°
C44H54O5S4
C44H54O5S4
Journal of the American Chemical Society (2010) 132, 7758-7768
a=10.2502(10)Å b=16.2024(16)Å c=13.2468(13)Å
α=90.00° β=106.117(2)° γ=90.00°
C24H36I2S4
C24H36I2S4
Journal of the American Chemical Society (2010) 132, 7758-7768
a=9.9066(7)Å b=12.6542(9)Å c=13.0668(9)Å
α=61.8790(10)° β=75.5560(10)° γ=76.3020(10)°
C40H46O2S4
C40H46O2S4
Journal of the American Chemical Society (2010) 132, 7758-7768
a=16.193(2)Å b=18.918(3)Å c=24.580(3)Å
α=90.00° β=90.428(2)° γ=90.00°
4101298
Journal of the American Chemical Society (2006) 128, 24 7995-8002
a=14.8265(7)Å b=7.0692(3)Å c=16.7136(9)Å
α=90.00° β=100.316(2)° γ=90.00°
4101299
Journal of the American Chemical Society (2006) 128, 24 7995-8002
a=10.1516(3)Å b=9.8122(2)Å c=10.1948(2)Å
α=90.00° β=92.9740(10)° γ=90.00°
C41H35F12N7O5
C41H35F12N7O5
Journal of the American Chemical Society (2011) 133, 12910-12913
a=7.9149(2)Å b=13.8805(3)Å c=18.1339(4)Å
α=89.6190(10)° β=82.0830(10)° γ=88.7430(10)°
C29H15Cl3O2S2
C29H15Cl3O2S2
Journal of the American Chemical Society (2012) 134, 7282-7285
a=8.3486(7)Å b=13.2981(11)Å c=21.5227(17)Å
α=90.00° β=95.245(2)° γ=90.00°
C32H18O2
C32H18O2
Journal of the American Chemical Society (2012) 134, 7282-7285
a=9.0926(2)Å b=11.5161(3)Å c=12.0530(2)Å
α=115.2070(10)° β=112.1210(10)° γ=93.0760(10)°
C34H22O4
C34H22O4
Journal of the American Chemical Society (2012) 134, 7282-7285
a=16.4875(5)Å b=16.8851(5)Å c=17.0029(4)Å
α=90.00° β=90.00° γ=90.00°
C40H52O3Si2
C40H52O3Si2
Journal of the American Chemical Society (2006) 128, 12426-12427
a=19.7499(9)Å b=9.2408(5)Å c=21.8961(10)Å
α=90.00° β=110.569(2)° γ=90.00°
C54H60O3Si2
C54H60O3Si2
Journal of the American Chemical Society (2006) 128, 12426-12427
a=9.1608(3)Å b=16.2457(5)Å c=17.4539(5)Å
α=66.6670(10)° β=88.1470(10)° γ=75.4540(10)°
C82H76Cl6O6Si2
C82H76Cl6O6Si2
Journal of the American Chemical Society (2006) 128, 12426-12427
a=13.0097(5)Å b=13.0237(5)Å c=13.3955(5)Å
α=113.9050(10)° β=113.7040(10)° γ=96.7580(10)°
C96H108N2O4Si2
C96H108N2O4Si2
Journal of the American Chemical Society (2006) 128, 12426-12427
a=11.2561(3)Å b=13.2580(5)Å c=14.5786(5)Å
α=103.5250(10)° β=110.0680(10)° γ=95.8310(10)°
C35H60N2O16S6
C35H60N2O16S6
Journal of the American Chemical Society (2012) 134, 4537-4540
a=31.8437(6)Å b=6.57330(10)Å c=25.9326(5)Å
α=90.00° β=126.9520(10)° γ=90.00°
C75H55O6
C75H55O6
Journal of the American Chemical Society (2012) 134, 15351-15356
a=10.0750(2)Å b=16.2784(3)Å c=17.9427(3)Å
α=107.5781(14)° β=96.7864(12)° γ=102.5793(12)°
C36H22O3
C36H22O3
Journal of the American Chemical Society (2012) 134, 15351-15356
a=8.5507(2)Å b=17.9987(4)Å c=16.5702(4)Å
α=90.00° β=100.065(2)° γ=90.00°
C58H62Si2
C58H62Si2
Journal of the American Chemical Society (2012) 134, 15351-15356
a=16.7208(3)Å b=8.1057(2)Å c=36.3982(7)Å
α=90.00° β=102.9390(10)° γ=90.00°
C20H16N2PtS2
C20H16N2PtS2
Journal of the American Chemical Society (2006) 128, 16641-16648
a=6.9633(12)Å b=10.9345(18)Å c=11.3463(19)Å
α=99.492(3)° β=96.613(3)° γ=90.630(3)°
C20H16N2PtS2
C20H16N2PtS2
Journal of the American Chemical Society (2006) 128, 16641-16648
a=16.0087(10)Å b=9.0397(5)Å c=24.8119(15)Å
α=90.00° β=104.852(2)° γ=90.00°
C20H14N2PtS
C20H14N2PtS
Journal of the American Chemical Society (2006) 128, 16641-16648
a=9.8404(8)Å b=18.3388(18)Å c=18.4798(17)Å
α=74.296(3)° β=80.151(3)° γ=86.066(3)°
Endo-phenyl-pyrrole
C17H14N2O2
Journal of the American Chemical Society (2003) 125, 6870-6871
a=8.7931(18)Å b=7.4466(15)Å c=10.799(2)Å
α=90.00° β=104.106(3)° γ=90.00°
C134H128I2N9O10
C134H128I2N9O10
Journal of the American Chemical Society (2001) 123, 9180-9181
a=12.0750(8)Å b=23.0720(14)Å c=23.8190(15)Å
α=71.0550(10)° β=86.8900(10)° γ=80.3940(10)°
C78H70Cl12I2O6W
C78H70Cl12I2O6W
Journal of the American Chemical Society (2001) 123, 7917-7918
a=26.574(4)Å b=10.2177(15)Å c=28.363(7)Å
α=90.00° β=92.702(2)° γ=90.00°
C48H36Cl4O10S2W
C48H36Cl4O10S2W
Journal of the American Chemical Society (2001) 123, 7917-7918
a=12.279(3)Å b=12.373(4)Å c=15.036(4)Å
α=77.306(5)° β=85.491(5)° γ=78.231(5)°
C108H110O4
C108H110O4
Journal of the American Chemical Society (2019) 141, 11 4696-4703
a=19.1455(9)Å b=17.5082(8)Å c=24.5014(10)Å
α=90° β=102.2368(18)° γ=90°
C14H9NOS
C14H9NOS
Journal of the American Chemical Society (2017)
a=15.238(6)Å b=3.9998(7)Å c=18.359(6)Å
α=90° β=106.14(3)° γ=90°
C31H26F6N4O2Pd
C31H26F6N4O2Pd
Journal of the American Chemical Society (2015) 137, 9 3221-3224
a=10.0820(2)Å b=14.0144(3)Å c=20.7098(5)Å
α=90° β=90° γ=90°
C27H16F12N4O4Pd
C27H16F12N4O4Pd
Journal of the American Chemical Society (2015) 137, 9 3221-3224
a=11.3535(4)Å b=15.0535(5)Å c=16.8302(6)Å
α=90° β=90° γ=90°
C44H28N6
C44H28N6
Journal of the American Chemical Society (2015) 137, 37 11908-11911
a=8.5118(10)Å b=13.1893(16)Å c=15.6770(18)Å
α=85.352(2)° β=75.468(2)° γ=83.375(2)°
C48H30N6
C48H30N6
Journal of the American Chemical Society (2015) 137, 37 11908-11911
a=20.089(6)Å b=11.878(4)Å c=14.200(4)Å
α=90° β=90° γ=90°
C50H29F11N2O4W
C50H29F11N2O4W
Journal of the American Chemical Society (2014) 136, 30 10683-10690
a=19.005(3)Å b=24.244(3)Å c=9.1234(12)Å
α=90° β=96.525(3)° γ=90°
C58H42F6N2O4W
C58H42F6N2O4W
Journal of the American Chemical Society (2014) 136, 30 10683-10690
a=19.4173(17)Å b=17.2079(15)Å c=13.9920(13)Å
α=90° β=90° γ=90°
C53H40F6N2O6W
C53H40F6N2O6W
Journal of the American Chemical Society (2014) 136, 30 10683-10690
a=21.0206(5)Å b=16.0491(4)Å c=14.6836(4)Å
α=90° β=120.7920(10)° γ=90°
C53H40F6N2O4W
C53H40F6N2O4W
Journal of the American Chemical Society (2014) 136, 30 10683-10690
a=21.4476(7)Å b=15.8488(5)Å c=14.2263(5)Å
α=90° β=120.9240(10)° γ=90°
C24H26BF4N5Pt
C24H26BF4N5Pt
Journal of the American Chemical Society (2014) 136, 8 2952
a=14.6099(7)Å b=7.1043(3)Å c=22.2579(10)Å
α=90.00° β=95.823(3)° γ=90.00°
C54H63FN2O4W
C54H63FN2O4W
Journal of the American Chemical Society (2013) 135, 18770-18773
a=18.5177(17)Å b=13.1599(12)Å c=19.8179(18)Å
α=90° β=105.801(2)° γ=90°
C30.5H28ClFeNS4
C30.5H28ClFeNS4
Langmuir : the ACS journal of surfaces and colloids (2006) 22, 25 10596-10604
a=18.0259(17)Å b=14.9021(13)Å c=10.5521(8)Å
α=90.00° β=97.917(3)° γ=90.00°
C30H20N2O4S2
C30H20N2O4S2
Journal of Organic Chemistry (2007) 72, 10166-10180
a=21.0801(8)Å b=13.9059(6)Å c=16.2990(6)Å
α=90.00° β=90.00° γ=90.00°
C29H52N2O12S4
C29H52N2O12S4
Journal of Organic Chemistry (2012) 77, 1789-1797
a=15.3179(4)Å b=11.0106(2)Å c=21.8847(4)Å
α=90.00° β=104.5250(10)° γ=90.00°
C23H40N2O2S4
C23H40N2O2S4
Journal of Organic Chemistry (2012) 77, 1789-1797
a=11.5578(3)Å b=17.3536(4)Å c=13.7567(4)Å
α=90° β=104.737(1)° γ=90°
C35H26Cl2O3
C35H26Cl2O3
Journal of the American Chemical Society (2010) 132, 3304-3311
a=9.4171(3)Å b=10.5841(3)Å c=13.7962(4)Å
α=87.0830(10)° β=83.0080(10)° γ=82.6520(10)°
C80H74Si2
C80H74Si2
Journal of the American Chemical Society (2012) 134, 15351-15356
a=19.4446(4)Å b=8.0797(2)Å c=20.5841(4)Å
α=90.00° β=109.9160(10)° γ=90.00°
C38H40IrN6
C38H40IrN6
Inorganic Chemistry (2011) 50, 7598-7609
a=20.3916(4)Å b=15.2013(4)Å c=10.4538(2)Å
α=90.00° β=97.9110(10)° γ=90.00°
C35H30F10IrN6P
C35H30F10IrN6P
Inorganic Chemistry (2011) 50, 7598-7609
a=12.9605(2)Å b=14.0627(2)Å c=18.7948(3)Å
α=90.00° β=92.2270(10)° γ=90.00°
C36H31Cl2F4IrN6
C36H31Cl2F4IrN6
Inorganic Chemistry (2011) 50, 7598-7609
a=22.2313(8)Å b=16.1839(6)Å c=20.5272(8)Å
α=90.00° β=116.927(2)° γ=90.00°