Structures by: Ma J.
Total: 625
NJU-Bai61p
C5H4Cu2I2N2O2
Chemical Science (2020)
a=13.4414(12)Å b=10.3399(9)Å c=15.1736(14)Å
α=90° β=106.9640(10)° γ=90°
NJU-Bai61
C33H45Cu13I11N12O7
Chemical Science (2020)
a=25.1585(14)Å b=25.1585(14)Å c=25.1585(14)Å
α=90° β=90° γ=90°
C18H26N2O2
C18H26N2O2
IUCrJ (2019) 6, 6
a=5.6352(8)Å b=13.4281(17)Å c=11.2825(15)Å
α=90.00° β=93.703(3)° γ=90.00°
C18H26N2O2
C18H26N2O2
IUCrJ (2019) 6, 6
a=5.5482(17)Å b=12.167(3)Å c=24.556(6)Å
α=90.00° β=90.00° γ=90.00°
C11H18N2O
C11H18N2O
IUCrJ (2019) 6, 6
a=5.9035(10)Å b=8.3771(16)Å c=21.980(4)Å
α=90.00° β=90.00° γ=90.00°
C72H88N12O16
C72H88N12O16
Journal of Natural Products (2020)
a=12.5668(2)Å b=20.9262(3)Å c=15.2207(2)Å
α=90° β=103.722(2)° γ=90°
C70H86N12O16
C70H86N12O16
Journal of Natural Products (2020)
a=12.62640(10)Å b=21.0187(2)Å c=15.18750(10)Å
α=90° β=104.4750(10)° γ=90°
C21H22O2S
C21H22O2S
Org. Chem. Front. (2014) 1, 3 235
a=8.7371(17)Å b=9.2269(18)Å c=12.186(2)Å
α=89.90(3)° β=72.14(3)° γ=80.18(3)°
C54H75N9O13
C54H75N9O13
Journal of Natural Products (2020)
a=31.3214(9)Å b=17.9026(7)Å c=12.6750(6)Å
α=90° β=90° γ=90°
C54H75N9O13
C54H75N9O13
Journal of Natural Products (2020)
a=26.0693(2)Å b=25.2634(2)Å c=19.77155(18)Å
α=90° β=90° γ=90°
C17H6F17IN2O
C17H6F17IN2O
Organic letters (2016) 18, 18 4638-4641
a=5.3794(12)Å b=8.0586(17)Å c=26.339(6)Å
α=81.743(4)° β=86.002(4)° γ=76.923(4)°
C51H18F51I3N6O3
C51H18F51I3N6O3
Organic letters (2016) 18, 18 4638-4641
a=11.5390(13)Å b=16.419(2)Å c=18.984(2)Å
α=77.096(2)° β=85.285(2)° γ=73.926(2)°
C22H26N4O5
C22H26N4O5
Organic Chemistry Frontiers (2019) 6, 14 2529
a=9.5782(6)Å b=11.7650(4)Å c=20.2153(9)Å
α=90° β=90° γ=90°
C27H25FN2O5S
C27H25FN2O5S
Organic Chemistry Frontiers (2018) 5, 20 2960
a=13.420(2)Å b=5.3749(8)Å c=17.821(3)Å
α=90.00° β=105.381(5)° γ=90.00°
C18H16BrFO2
C18H16BrFO2
Organic Chemistry Frontiers (2018) 5, 20 2960
a=6.6841(6)Å b=8.7074(8)Å c=14.4482(13)Å
α=87.391(3)° β=81.591(2)° γ=78.532(3)°
M4-008
C108H86
Chemical Science (2019)
a=14.1458(6)Å b=13.4627(4)Å c=22.3724(6)Å
α=90° β=107.134(4)° γ=90°
C32H37NO12
C32H37NO12
Journal of Natural Products (2018)
a=10.5270(15)Å b=9.3108(5)Å c=15.753(2)Å
α=90° β=102.012(13)° γ=90°
C33H38O12
C33H38O12
Journal of Natural Products (2018)
a=9.6865(2)Å b=11.9018(3)Å c=13.7460(4)Å
α=90° β=104.952(3)° γ=90°
CHCl3,C61H70O8
CHCl3,C61H70O8
Organic letters (2016) 18, 2 168-171
a=10.3434(4)Å b=17.0470(8)Å c=30.5673(13)Å
α=90.00° β=90.00° γ=90.00°
C18H13N3O
C18H13N3O
Organic letters (2017) 19, 13 3370-3373
a=5.332(3)Å b=19.341(9)Å c=14.278(7)Å
α=90° β=93.816(9)° γ=90°
2.5(CHCl3),C30H50O3
2.5(CHCl3),C30H50O3
Journal of natural products (2014) 77, 2 276-284
a=10.7324(5)Å b=23.7833(14)Å c=28.8248(12)Å
α=90.00° β=90.00° γ=90.00°
C15H20O5
C15H20O5
Journal of natural products (2013) 76, 6 1150-1156
a=7.2956(15)Å b=10.729(2)Å c=18.181(4)Å
α=90.00° β=90.00° γ=90.00°
C27H34O9,CH4O
C27H34O9,CH4O
Journal of natural products (2014) 77, 4 784-791
a=14.8427(15)Å b=12.9239(8)Å c=15.4124(14)Å
α=90.00° β=118.131(12)° γ=90.00°
C37H38N6O3
C37H38N6O3
The Analyst (2009) 134, 9 1826-1833
a=10.023(3)Å b=12.111(3)Å c=15.207(4)Å
α=102.210(4)° β=96.443(4)° γ=113.896(4)°
C35H36N4O3
C35H36N4O3
The Analyst (2009) 134, 2 367-371
a=10.054(2)Å b=12.460(3)Å c=14.070(4)Å
α=67.827(3)° β=84.198(4)° γ=67.677(4)°
C16H18N2O4SZn
C16H18N2O4SZn
Inorganica Chimica Acta (2013) 403, 85-96
a=16.739(2)Å b=9.557(4)Å c=20.295(4)Å
α=90.00° β=90.00° γ=90.00°
C13H23.5CdN2O6.25
C13H23.5CdN2O6.25
Inorganica Chimica Acta (2013) 403, 85-96
a=11.094(2)Å b=13.237(3)Å c=15.332(3)Å
α=90.00° β=100.022(3)° γ=90.00°
C28H40N4Ni2O9.5
C28H40N4Ni2O9.5
Inorganica Chimica Acta (2013) 403, 85-96
a=10.336(4)Å b=12.175(6)Å c=12.760(5)Å
α=97.378(16)° β=105.934(14)° γ=98.935(18)°
C22H32Cu2N6O9
C22H32Cu2N6O9
Inorganica Chimica Acta (2013) 403, 85-96
a=13.753(4)Å b=14.752(5)Å c=13.844(3)Å
α=90.00° β=110.100(5)° γ=90.00°
C30H48Cu2N4O24
C30H48Cu2N4O24
Inorganica Chimica Acta (2013) 403, 85-96
a=10.0490(12)Å b=10.8530(11)Å c=11.1940(13)Å
α=117.721(2)° β=102.109(2)° γ=102.6000(10)°
C60H69N8O12.5Zn4
C60H69N8O12.5Zn4
Inorganica Chimica Acta (2013) 403, 85-96
a=10.220(3)Å b=17.019(7)Å c=18.574(6)Å
α=70.492(13)° β=83.894(10)° γ=74.857(12)°
C30H52Cd2N4O15
C30H52Cd2N4O15
Inorganica Chimica Acta (2013) 403, 85-96
a=10.290(5)Å b=10.551(6)Å c=10.573(7)Å
α=61.81(3)° β=80.96(3)° γ=73.06(2)°
C29.5H51Cd2N4O13.5
C29.5H51Cd2N4O13.5
Inorganica Chimica Acta (2013) 403, 85-96
a=11.848(4)Å b=11.980(4)Å c=16.172(5)Å
α=70.674(4)° β=77.724(5)° γ=74.770(4)°
2(Mo8O26),4(C27H29N3O3),15(H2O)
2(Mo8O26),4(C27H29N3O3),15(H2O)
Inorganica Chimica Acta (2013) 400, 51-58
a=19.9057(8)Å b=11.0481(3)Å c=24.3389(13)Å
α=90.00° β=127.481(3)° γ=90.00°
O40SiW12,2(C27H29N3O3),6(H2O)
O40SiW12,2(C27H29N3O3),6(H2O)
Inorganica Chimica Acta (2013) 400, 51-58
a=13.756(5)Å b=23.821(8)Å c=12.814(5)Å
α=90.00° β=111.482(4)° γ=90.00°
C68H72O8
C68H72O8
Chem. Sci. (2015) 6, 1 197
a=11.5532(19)Å b=30.664(5)Å c=7.7100(13)Å
α=90° β=90.771(3)° γ=90°
C51H54O6
C51H54O6
Chem. Sci. (2015) 6, 1 197
a=13.7149(12)Å b=15.9855(13)Å c=20.8687(17)Å
α=103.4550(10)° β=105.8790(10)° γ=93.251(2)°
C66H74F6N6O10P2
C66H74F6N6O10P2
Chemical Science (2013) 4, 4 1701
a=14.9639(11)Å b=16.2074(10)Å c=16.6904(12)Å
α=68.0740(10)° β=65.602(2)° γ=86.2270(10)°
C9H8F3NO2
C9H8F3NO2
Organic letters (2014) 16, 6 1768-1771
a=15.293(3)Å b=8.606(2)Å c=14.701(3)Å
α=90.00° β=106.010(4)° γ=90.00°
4-(methylsulfonyl)-2-(trifluoromethyl)aniline
C8H8F3NO2S
Organic letters (2014) 16, 6 1768-1771
a=7.9680(16)Å b=15.300(3)Å c=16.954(3)Å
α=90.00° β=90.00° γ=90.00°
C8H11N3O5Pt,H2O
C8H11N3O5Pt,H2O
Inorganica Chimica Acta (2012) 393, 198-203
a=12.6642(11)Å b=7.3361(7)Å c=13.6712(12)Å
α=90.00° β=108.3130(10)° γ=90.00°
C23H14O
C23H14O
Organic letters (2011) 13, 12 3004-3007
a=49.52(6)Å b=4.861(6)Å c=40.62(5)Å
α=90.00° β=116.289(15)° γ=90.00°
C15H12BrNO
C15H12BrNO
Organic letters (2012) 14, 3 736-739
a=10.852(3)Å b=13.438(4)Å c=18.449(4)Å
α=90.00° β=104.594(9)° γ=90.00°
C15H15NO2
C15H15NO2
Organic letters (2012) 14, 3 736-739
a=10.299(3)Å b=8.974(3)Å c=12.702(4)Å
α=90.00° β=95.653(5)° γ=90.00°
C23H21N3O3
C23H21N3O3
Journal of natural products (2011) 74, 10 2122-2127
a=16.0472(10)Å b=8.5891(5)Å c=15.6785(9)Å
α=90.00° β=116.5630(10)° γ=90.00°
C13H13ClN2O2S
C13H13ClN2O2S
Organic letters (2015) 17, 10 2350-2353
a=15.767(3)Å b=5.7590(12)Å c=15.721(3)Å
α=90.00° β=112.32(3)° γ=90.00°
C32H27AgN4O11,H2O
C32H27AgN4O11,H2O
RSC Advances (2020) 10, 73 44712-44718
a=8.492(6)Å b=13.445(6)Å c=13.518(6)Å
α=83.690(9)° β=86.778(9)° γ=85.131(6)°
C22H28NO6P,2(H2O)
C22H28NO6P,2(H2O)
Organic & Biomolecular Chemistry (2008) 6, 21 3997-4003
a=8.0227(3)Å b=8.8488(4)Å c=31.8469(13)Å
α=90.00° β=90.00° γ=90.00°
C8H2N12O6
C8H2N12O6
Dalton transactions (Cambridge, England : 2003) (2020) 49, 15 4675-4679
a=7.6311(9)Å b=9.9671(11)Å c=16.9752(17)Å
α=90° β=90° γ=90°
C12H14N12O4S2,0.67(C2H6OS),0.82(H2O)
C12H14N12O4S2,0.67(C2H6OS),0.82(H2O)
Dalton transactions (Cambridge, England : 2003) (2020) 49, 15 4675-4679
a=5.2901(3)Å b=18.3313(11)Å c=33.371(2)Å
α=90° β=92.366(2)° γ=90°
C4H5N9O2,OH2
C4H5N9O2,OH2
Dalton transactions (Cambridge, England : 2003) (2019) 48, 38 14490-14496
a=9.1165(4)Å b=14.3444(6)Å c=7.2327(3)Å
α=90° β=108.033(2)° γ=90°
C4H8N7O2,Cl,2(H2O)
C4H8N7O2,Cl,2(H2O)
Dalton transactions (Cambridge, England : 2003) (2019) 48, 38 14490-14496
a=8.5265(6)Å b=6.9696(5)Å c=18.0794(13)Å
α=90° β=96.241(2)° γ=90°
C5H7N8O2,Cl,H2O
C5H7N8O2,Cl,H2O
Dalton transactions (Cambridge, England : 2003) (2019) 48, 38 14490-14496
a=7.8649(6)Å b=7.8722(6)Å c=8.8770(6)Å
α=87.756(2)° β=74.218(2)° γ=73.265(2)°
C18H10N2O7Zn1.5,2(C3H7NO),3[C3H7NO]
C18H10N2O7Zn1.5,2(C3H7NO),3[C3H7NO]
Dalton transactions (Cambridge, England : 2003) (2019) 48, 31 11855-11861
a=5.9994(12)Å b=29.661(6)Å c=19.068(4)Å
α=90° β=90.09° γ=90°
C58H42Co4N6O18
C58H42Co4N6O18
Chemical communications (Cambridge, England) (2020) 56, 80 11985-11988
a=10.298(10)Å b=10.352(10)Å c=17.615(17)Å
α=105.643(16)° β=103.514(15)° γ=90.658(14)°
C26H14Co2N2O8
C26H14Co2N2O8
Chemical communications (Cambridge, England) (2020) 56, 80 11985-11988
a=14.3091(15)Å b=14.5181(15)Å c=17.5565(18)Å
α=90° β=104.706(9)° γ=90°
C13H7CoNO4
C13H7CoNO4
Chemical communications (Cambridge, England) (2020) 56, 80 11985-11988
a=10.696(2)Å b=13.078(3)Å c=12.460(2)Å
α=90.00(3)° β=108.79(3)° γ=90.00(3)°
C58H38O4
C58H38O4
Chemical communications (Cambridge, England) (2020) 56, 96 15181-15184
a=11.140(4)Å b=13.270(3)Å c=16.669(5)Å
α=98.910(10)° β=90.453(7)° γ=99.668(7)°
C28H24O4
C28H24O4
Chemical communications (Cambridge, England) (2016) 52, 91 13345-13348
a=5.6126(11)Å b=8.3452(17)Å c=12.339(3)Å
α=88.55(3)° β=78.74(3)° γ=87.54(3)°
C26H20O3
C26H20O3
Chemical communications (Cambridge, England) (2016) 52, 91 13345-13348
a=10.2062(14)Å b=19.416(3)Å c=10.5696(14)Å
α=90° β=109.487(3)° γ=90°
C28H24O6
C28H24O6
Chemical communications (Cambridge, England) (2016) 52, 91 13345-13348
a=10.4453(16)Å b=10.5990(16)Å c=10.8669(18)Å
α=86.506(4)° β=84.424(3)° γ=71.570(3)°
ME4
C25H24ClN3O
Chemical communications (Cambridge, England) (2016) 52, 66 10183-10186
a=10.3206(4)Å b=11.6585(5)Å c=18.3971(8)Å
α=90° β=90° γ=90°
C45H42N4ORhS2,F6P,0.4(C6H14),CH2Cl2
C45H42N4ORhS2,F6P,0.4(C6H14),CH2Cl2
Chemical communications (Cambridge, England) (2016) 52, 66 10183-10186
a=17.1583(11)Å b=17.7095(11)Å c=18.8292(12)Å
α=66.918(2)° β=69.054(2)° γ=76.796(2)°
C23H20FNO2S
C23H20FNO2S
Chemical Communications (2019)
a=13.009(7)Å b=9.880(5)Å c=15.062(8)Å
α=90° β=92.898(8)° γ=90°
C16H16N12O6
C16H16N12O6
New Journal of Chemistry (2019) 43, 21 8370
a=5.0217(11)Å b=27.895(6)Å c=15.205(3)Å
α=90° β=97.057(5)° γ=90°
1,2-alternate-tetra-t-butyl-25,26,27,28- tetrahydoxycalix(4)areneacid
C52H64O10,2(C2H6O)
New Journal of Chemistry (2005) 29, 11 1390
a=14.5678(19)Å b=12.3123(16)Å c=16.266(2)Å
α=90.00° β=110.806(2)° γ=90.00°
C36H37Cd2N5O13
C36H37Cd2N5O13
New J. Chem. (2016) 40, 3 2479
a=16.404(4)Å b=11.977(3)Å c=20.202(5)Å
α=90° β=94.188(5)° γ=90°
[Zn2(5Me1,3BDC)2(bimpa)2]n
[Zn2(5Me1,3BDC)2(bimpa)2]n
New J. Chem. (2016) 40, 3 2479
a=11.616(4)Å b=11.825(4)Å c=36.389(11)Å
α=90° β=90° γ=90°
C30H31N5O6Zn
C30H31N5O6Zn
New J. Chem. (2016) 40, 3 2479
a=12.0219(8)Å b=11.4303(8)Å c=23.9587(15)Å
α=90° β=116.820(3)° γ=90°
C30H29CdN5O5
C30H29CdN5O5
New J. Chem. (2016) 40, 3 2479
a=10.209(2)Å b=17.349(3)Å c=17.192(3)Å
α=90° β=96.73(3)° γ=90°
C13H12N4O
C13H12N4O
New Journal of Chemistry (2012) 36, 12 2562
a=5.1873(3)Å b=9.2450(5)Å c=25.3594(11)Å
α=90.00° β=90.00° γ=90.00°
Z-4-phenyl-1-(pyridine-2-ylmethylene)semicarbazide
C13H12N4O
New Journal of Chemistry (2012) 36, 12 2562
a=22.602(8)Å b=5.5689(19)Å c=20.209(7)Å
α=90.00° β=109.720(6)° γ=90.00°
2(C13H12N4O),C3H6O
2(C13H12N4O),C3H6O
New Journal of Chemistry (2012) 36, 12 2562
a=17.889(3)Å b=8.6684(9)Å c=18.288(2)Å
α=90.00° β=90.00° γ=90.00°
C6H4F2N4O12
C6H4F2N4O12
New J. Chem. (2017)
a=6.1749(7)Å b=6.3972(7)Å c=9.0143(10)Å
α=78.006(4)° β=80.204(4)° γ=63.912(4)°
C64H54Mo12N8O40Si
C64H54Mo12N8O40Si
CrystEngComm (2005) 7, 63 380
a=10.779(2)Å b=11.647(2)Å c=17.741(4)Å
α=86.46(3)° β=83.91(3)° γ=63.32(3)°
C30H28.4Cl3Mo12N6O42.2P
C30H28.4Cl3Mo12N6O42.2P
CrystEngComm (2005) 7, 63 380
a=21.220(4)Å b=15.343(3)Å c=24.707(5)Å
α=90.00° β=109.23(3)° γ=90.00°
C64H56Br4N8O43SiW12
C64H56Br4N8O43SiW12
CrystEngComm (2005) 7, 63 380
a=9.897(2)Å b=14.401(3)Å c=15.775(3)Å
α=87.64(3)° β=72.10(3)° γ=79.24(3)°
9-phenyl-9H-carbazole-2-carbonitrile
C19H12N2
Journal of Materials Chemistry C (2019) 7, 31 9671
a=11.1664(15)Å b=11.040(4)Å c=11.208(4)Å
α=90.00° β=98.792(6)° γ=90.00°
3-(9H-carbazol-9-yl)benzonitrile
C19H12N2
Journal of Materials Chemistry C (2019) 7, 31 9671
a=10.2050(3)Å b=15.8800(5)Å c=8.5080(7)Å
α=90.00° β=92.80(4)° γ=90.00°
2-(9H-carbazol-9-yl)benzonitrile
C19H12N2
Journal of Materials Chemistry C (2019) 7, 31 9671
a=14.7314(14)Å b=24.585(2)Å c=8.0451(8)Å
α=90° β=90° γ=90°
9-phenyl-9H-carbazole-3-carbonitrile
C19H12N2
Journal of Materials Chemistry C (2019) 7, 31 9671
a=13.648(3)Å b=10.5450(10)Å c=18.9249(8)Å
α=90.00° β=92.28(3)° γ=90.00°
4
C38H24N4
Journal of Materials Chemistry C (2019) 7, 31 9671
a=15.265(8)Å b=8.089(4)Å c=22.642(12)Å
α=90° β=92.613(11)° γ=90°
C86H66B2Cd2F4N8O12S2
C86H66B2Cd2F4N8O12S2
Journal of Materials Chemistry A (2019) 7, 36 20742
a=34.889(2)Å b=18.9695(14)Å c=28.1751(16)Å
α=90° β=103.243(2)° γ=90°
C86H66B2Cd2F4N8O8
C86H66B2Cd2F4N8O8
Journal of Materials Chemistry A (2019) 7, 36 20742
a=19.636(2)Å b=16.5479(17)Å c=28.621(3)Å
α=90° β=91.415(5)° γ=90°
0.25(C228H164B4F8N16O32Zn8),H2O
0.25(C228H164B4F8N16O32Zn8),H2O
Journal of Materials Chemistry A (2019) 7, 17 10439
a=17.6239(12)Å b=18.1600(12)Å c=20.5219(13)Å
α=90° β=101.767(6)° γ=90°
C30H36N12O36Tb2Zn3
C30H36N12O36Tb2Zn3
J. Mater. Chem. A (2014) 2, 48 20450
a=17.3863(12)Å b=17.9923(11)Å c=10.7535(7)Å
α=90.00° β=125.455(5)° γ=90.00°
C30H36Co3N12O36Tb2
C30H36Co3N12O36Tb2
J. Mater. Chem. A (2014) 2, 48 20450
a=17.3855(15)Å b=17.8778(17)Å c=10.7117(8)Å
α=90.00° β=125.437(6)° γ=90.00°
C14H10Br2
C14H10Br2
Journal of Materials Chemistry C (2015) 3, 6200-6208
a=5.6911(19)Å b=17.259(6)Å c=7.0675(16)Å
α=90.00° β=117.647(19)° γ=90.00°
C26H34B2O4
C26H34B2O4
Journal of Materials Chemistry C (2015) 3, 6200-6208
a=15.526(5)Å b=6.539(5)Å c=25.120(5)Å
α=90.00° β=90.019(10)° γ=90.00°
C22H14
C22H14
Journal of Materials Chemistry C (2015) 3, 10074-10078
a=6.055(3)Å b=9.804(4)Å c=13.814(2)Å
α=90.34° β=94.20° γ=103.93°
C46H62B4O8
C46H62B4O8
Journal of Materials Chemistry C (2015) 3, 10074-10078
a=6.668(2)Å b=11.794(3)Å c=28.968(9)Å
α=90.00° β=90.446(5)° γ=90.00°
C14H9I
C14H9I
Journal of Materials Chemistry C (2015) 3, 10074-10078
a=23.161(13)Å b=9.844(6)Å c=4.833(3)Å
α=90.00° β=90.00° γ=90.00°
C22H16S2
C22H16S2
Journal of Materials Chemistry C (2015) 3, 10074-10078
a=9.831(5)Å b=9.580(4)Å c=10.090(3)Å
α=90.00° β=105.875(19)° γ=90.00°
C45H43Ag3Cl3F18N12O5Sb3
C45H43Ag3Cl3F18N12O5Sb3
Chem.Commun. (2014) 50, 13672
a=15.9174(15)Å b=15.9174(15)Å c=44.260(6)Å
α=90.00° β=90.00° γ=120.00°
C44H40Ag3F18N12O4Sb3
C44H40Ag3F18N12O4Sb3
Chem.Commun. (2014) 50, 13672
a=15.825(5)Å b=15.825(5)Å c=43.703(19)Å
α=90.00° β=90.00° γ=120.00°
C39H36O4Se
C39H36O4Se
Chemical communications (Cambridge, England) (2017) 53, 9 1542-1545
a=9.1407(8)Å b=10.9800(10)Å c=18.0686(16)Å
α=105.4320(10)° β=91.9620(10)° γ=108.6040(10)°
C46H40Cu2I2N8O4
C46H40Cu2I2N8O4
Chem.Commun. (2014) 50, 1444
a=26.195(7)Å b=10.604(3)Å c=18.493(5)Å
α=90.00° β=112.035(3)° γ=90.00°
C48H38Cu2I2N8O3
C48H38Cu2I2N8O3
Chem.Commun. (2014) 50, 1444
a=26.407(13)Å b=10.549(5)Å c=18.435(9)Å
α=90.00° β=111.635(7)° γ=90.00°