Structures by: Pulham C. R.
Total: 253
1,3-dimethylurea
C3H8N2O1
The journal of physical chemistry. A (2009) 113, 20 5998-6003
a=4.9790(10)Å b=10.775(2)Å c=4.5764(9)Å
α=90° β=90° γ=90°
Nickel Dimethylglyoxime
C8H14N4NiO4
The Journal of Physical Chemistry C (2014) 118, 42 24705
a=16.1082(14)Å b=9.9613(12)Å c=5.9848(3)Å
α=90.00° β=90.00° γ=90.00°
Nickel Dimethylglyoxime
C8H14N4NiO4
The Journal of Physical Chemistry C (2014) 118, 42 24705
a=16.2653(17)Å b=10.0195(14)Å c=6.0897(4)Å
α=90.00° β=90.00° γ=90.00°
Nickel Dimethylglyoxime
C8H14N4NiO4
The Journal of Physical Chemistry C (2014) 118, 42 24705
a=16.0380(11)Å b=9.9390(10)Å c=5.9397(3)Å
α=90.00° β=90.00° γ=90.00°
Nickel Dimethylglyoxime
C8H14N4NiO4
The Journal of Physical Chemistry C (2014) 118, 42 24705
a=15.9507(13)Å b=9.9145(11)Å c=5.8872(3)Å
α=90.00° β=90.00° γ=90.00°
Nickel Dimethylglyoxime
C8H14N4NiO4
The Journal of Physical Chemistry C (2014) 118, 42 24705
a=15.8529(13)Å b=9.8959(10)Å c=5.8379(3)Å
α=90.00° β=90.00° γ=90.00°
Nickel Dimethylglyoxime
C8H14N4NiO4
The Journal of Physical Chemistry C (2014) 118, 42 24705
a=15.74120(13)Å b=9.88870(12)Å c=5.7878(3)Å
α=90.00° β=90.00° γ=90.00°
B8F12
B8F12
Angew. Chem. Int. ed. (2003) 42, 571-573
a=24.577Å b=7.334Å c=25.493Å
α=90° β=106.708° γ=90°
Nickel Dimethylglyoxime
C8H14N4NiO4
The Journal of Physical Chemistry C (2014) 118, 42 24705
a=16.5699(16)Å b=10.4295(13)Å c=6.4616(4)Å
α=90.00° β=90.00° γ=90.00°
Nickel Dimethylglyoxime
C8H14N4NiO4
The Journal of Physical Chemistry C (2014) 118, 42 24705
a=16.5690(18)Å b=10.3439(16)Å c=6.4085(4)Å
α=90.00° β=90.00° γ=90.00°
Nickel Dimethylglyoxime
C8H14N4NiO4
The Journal of Physical Chemistry C (2014) 118, 42 24705
a=16.4739(16)Å b=10.2024(14)Å c=6.2972(4)Å
α=90.00° β=90.00° γ=90.00°
Nickel Dimethylglyoxime
C8H14N4NiO4
The Journal of Physical Chemistry C (2014) 118, 42 24705
a=16.3688(17)Å b=10.0853(15)Å c=6.1843(4)Å
α=90.00° β=90.00° γ=90.00°
(B8 F12)2 (B F3)
B17F27
Angew. Chem. Int. ed. (2003) 42, 571-573
a=7.321Å b=13.176Å c=13.529Å
α=69.364° β=79.511° γ=81.299°
C5H12
C5H12
CrystEngComm (2020) 22, 47 8251-8255
a=3.7996(7)Å b=8.2477(13)Å c=14.205(4)Å
α=90° β=90° γ=90°
Sodium nitrotetrazolate tetrahydrate
0.5(C2H8N10Na2O8),2(H2O)
Dalton transactions (Cambridge, England : 2003) (2020) 49, 42 14975-14984
a=17.7189(10)Å b=3.5053(2)Å c=13.3457(8)Å
α=90° β=100.282(2)° γ=90°
C2ClCu3N10O4
C2ClCu3N10O4
Dalton transactions (Cambridge, England : 2003) (2020) 49, 42 14975-14984
a=10.8980(10)Å b=9.2377(9)Å c=10.3680(10)Å
α=90° β=100.493(10)° γ=90°
2
C34H34Br2O4
CrystEngComm (2019) 21, 5 786
a=37.3853(7)Å b=37.3853(7)Å c=11.2109(2)Å
α=90° β=90° γ=120°
Biurea
C2D6N4O2
CrystEngComm (2019) 21, 39 5872
a=9.3370(5)Å b=4.60528(24)Å c=11.4184(6)Å
α=90.0° β=82.134(5)° γ=90.0°
Biurea
C2D6N4O2
CrystEngComm (2019) 21, 39 5872
a=9.3394(7)Å b=4.57648(30)Å c=11.3816(7)Å
α=90.0° β=82.160(6)° γ=90.0°
Biurea
C2D6N4O2
CrystEngComm (2019) 21, 39 5872
a=9.4850(5)Å b=3.70468(11)Å c=12.9889(7)Å
α=90.0° β=77.632(4)° γ=90.0°
Biurea
C2D6N4O2
CrystEngComm (2019) 21, 39 5872
a=9.4444(5)Å b=3.46902(11)Å c=13.1315(7)Å
α=90.0° β=77.318(4)° γ=90.0°
Biurea
C2D6N4O2
CrystEngComm (2019) 21, 39 5872
a=9.4568(4)Å b=3.51779(9)Å c=13.1178(6)Å
α=90.0° β=77.346(4)° γ=90.0°
Biurea
C2D6N4O2
CrystEngComm (2019) 21, 39 5872
a=9.4526(5)Å b=3.49778(11)Å c=13.1229(8)Å
α=90.0° β=77.341(5)° γ=90.0°
Biurea
C2D6N4O2
CrystEngComm (2019) 21, 39 5872
a=9.3380(6)Å b=4.59377(29)Å c=11.4034(7)Å
α=90.0° β=82.154(6)° γ=90.0°
Biurea
C2D6N4O2
CrystEngComm (2019) 21, 39 5872
a=9.3429(5)Å b=4.55499(24)Å c=11.3567(6)Å
α=90.0° β=82.183(5)° γ=90.0°
Biurea
C2D6N4O2
CrystEngComm (2019) 21, 39 5872
a=9.4344(5)Å b=3.44007(10)Å c=13.1345(7)Å
α=90.0° β=77.317(4)° γ=90.0°
Biurea
C2D6N4O2
CrystEngComm (2019) 21, 39 5872
a=9.4768(5)Å b=3.61125(13)Å c=13.0677(8)Å
α=90.0° β=77.463(5)° γ=90.0°
Biurea
C2D6N4O2
CrystEngComm (2019) 21, 39 5872
a=9.4644(5)Å b=3.55030(11)Å c=13.1017(7)Å
α=90.0° β=77.388(4)° γ=90.0°
Biurea
C2D6N4O2
CrystEngComm (2019) 21, 39 5872
a=9.4190(5)Å b=3.39405(10)Å c=13.1379(7)Å
α=90.0° β=77.310(4)° γ=90.0°
Biurea
C2D6N4O2
CrystEngComm (2019) 21, 39 5872
a=9.4251(5)Å b=3.41438(10)Å c=13.1382(7)Å
α=90.0° β=77.309(4)° γ=90.0°
Biurea
C2D6N4O2
CrystEngComm (2019) 21, 39 5872
a=9.4033(5)Å b=3.35415(10)Å c=13.1320(7)Å
α=90.0° β=77.321(5)° γ=90.0°
Biurea
C2D6N4O2
CrystEngComm (2019) 21, 39 5872
a=9.4872(7)Å b=3.81402(19)Å c=12.8589(10)Å
α=90.0° β=77.936(7)° γ=90.0°
Biurea
C2D6N4O2
CrystEngComm (2019) 21, 39 5872
a=9.3308(8)Å b=4.6415(4)Å c=11.4721(10)Å
α=90.0° β=82.069(6)° γ=90.0°
Biurea
C2D6N4O2
CrystEngComm (2019) 21, 39 5872
a=9.3926(5)Å b=3.33285(10)Å c=13.1269(7)Å
α=90.0° β=77.329(5)° γ=90.0°
Biurea
C2D6N4O2
CrystEngComm (2019) 21, 39 5872
a=9.3332(8)Å b=4.6196(4)Å c=11.4456(9)Å
α=90.0° β=82.101(7)° γ=90.0°
Paracetamol monomethanolate
C9H13N1O3
Chemical Communications (Cambridge, United Kingdom) (2003) 24 3004-3005
a=7.630(2)Å b=17.209(3)Å c=7.3710(11)Å
α=90° β=115.52(3)° γ=90°
Me2CO
Me2CO
Chemical Communications (1999) 8 751
a=6.1219(11)Å b=5.2029(10)Å c=10.244(3)Å
α=90.00° β=90.00° γ=90.00°
Me2CO
Me2CO
Chemical Communications (1999) 8 751
a=6.514(4)Å b=5.4159(18)Å c=10.756(5)Å
α=90.00° β=90.00° γ=90.00°
C3H6O
C3H6O
Chemical Communications (1999) 8 751
a=8.873(3)Å b=8.000(4)Å c=22.027(7)Å
α=90.00° β=90.00° γ=90.00°
Me2CO
Me2CO
Chemical Communications (1999) 8 751
a=9.172(8)Å b=7.761(8)Å c=21.66(2)Å
α=90.00° β=90.00° γ=90.00°
Acetone-d6
C3D6O
Chemical Communications (1999) 8 751
a=9.1669(1)Å b=7.5323(1)Å c=21.2486(1)Å
α=90° β=90° γ=90°
C3H6N6O6
C3H6N6O6
Chemical communications (Cambridge, England) (2010) 46, 31 5662-5664
a=7.0324(11)Å b=10.530(3)Å c=8.7909(11)Å
α=90° β=90° γ=90°
Perdeuteroalloxan
C4D2N2O4
CrystEngComm (2008) 10, 5 465
a=5.82141(4)Å b=5.85450(4)Å c=13.85255(9)Å
α=90.0° β=90.0° γ=90.0°
Bis(N,N-Dimethylurea) oxalic acid
C8H18N4O6
Physical chemistry chemical physics : PCCP (2012) 14, 38 13273-13283
a=14.992(2)Å b=6.4333(7)Å c=13.610(2)Å
α=90.00° β=107.306(12)° γ=90.00°
Bis(N,N-Dimethylurea) & oxalic acid
C8H18N4O6
Physical chemistry chemical physics : PCCP (2012) 14, 38 13273-13283
a=7.740(5)Å b=6.440(5)Å c=13.540(5)Å
α=90.00° β=110.880(10)° γ=90.00°
Bis(N,N-Dimethylurea) oxalic acid
C8H18N4O6
Physical chemistry chemical physics : PCCP (2012) 14, 38 13273-13283
a=7.770(5)Å b=6.440(5)Å c=13.600(5)Å
α=90.00° β=111.140(10)° γ=90.00°
Bis(N,N-Dimethylurea) oxalic acid
C8H18N4O6
Physical chemistry chemical physics : PCCP (2012) 14, 38 13273-13283
a=7.7944(3)Å b=6.4482(2)Å c=13.6550(6)Å
α=90.00° β=111.407(2)° γ=90.00°
Bis(N,N-Dimethylurea) oxalic acid
C8H18N4O6
Physical chemistry chemical physics : PCCP (2012) 14, 38 13273-13283
a=7.820(5)Å b=6.450(5)Å c=13.710(5)Å
α=90.00° β=111.660(10)° γ=90.00°
Bis(N,N-Dimethylurea) oxalic acid
C8H18N4O6
Physical chemistry chemical physics : PCCP (2012) 14, 38 13273-13283
a=7.790(5)Å b=6.450(5)Å c=13.660(5)Å
α=90.00° β=111.410(10)° γ=90.00°
Bis(N,N-Dimethylurea) oxalic acid
C8H18N4O6
Physical chemistry chemical physics : PCCP (2012) 14, 38 13273-13283
a=7.840(5)Å b=6.460(5)Å c=13.770(5)Å
α=90.00° β=111.940(10)° γ=90.00°
Bis(N,N-Dimethylurea) oxalic acid
C8H18N4O6
Physical chemistry chemical physics : PCCP (2012) 14, 38 13273-13283
a=7.870(5)Å b=6.470(5)Å c=13.830(5)Å
α=90.00° β=112.200(10)° γ=90.00°
Bis(N,N-Dimethylurea) oxalic acid
C4H9N2O3
Physical chemistry chemical physics : PCCP (2012) 14, 38 13273-13283
a=7.8936(4)Å b=6.4695(3)Å c=13.8871(7)Å
α=90.00° β=112.474(3)° γ=90.00°
Bis(N,N-Dimethylurea) oxalic acid
C8H18N4O6
Physical chemistry chemical physics : PCCP (2012) 14, 38 13273-13283
a=7.890(5)Å b=6.470(5)Å c=13.890(5)Å
α=90.00° β=112.470(10)° γ=90.00°
C6H10N2O2
C6H10N2O2
CrystEngComm (2005) 7, 29 179
a=6.7254(2)Å b=13.2572(4)Å c=8.0529(2)Å
α=90° β=98.603(2)° γ=90°
C6H10N2O2,H2O
C6H10N2O2,H2O
CrystEngComm (2005) 7, 29 179
a=6.9376(2)Å b=7.4450(2)Å c=9.1267(2)Å
α=97.732(2)° β=103.958(2)° γ=115.766(2)°
C6H10N2O2
C6H10N2O2
CrystEngComm (2005) 7, 29 179
a=8.9537(11)Å b=5.4541(6)Å c=13.610(4)Å
α=90° β=104.93(2)° γ=90°
Cyclotrimethylene-trinitramine
C3H6N6O6
CrystEngComm (2008) 10, 2 162
a=12.5650(19)Å b=9.4769(6)Å c=10.9297(9)Å
α=90° β=90° γ=90°
Cyclotrimethylene-trinitramine
C3N6O6D6
CrystEngComm (2008) 10, 2 162
a=12.6319(15)Å b=9.5554(14)Å c=11.0036(22)Å
α=90.0° β=90.0° γ=90.0°
2:1:2 Paracetamol:piperazine:ethanol solvate
C8H9NO2,0.5(C4H10N2),C2H6O
CrystEngComm (2008) 10, 9 1114
a=7.544(5)Å b=8.604(7)Å c=10.394(3)Å
α=93.18(5)° β=97.73(4)° γ=114.70(5)°
C12H20N14O14
C12H20N14O14
CrystEngComm (2012) 14, 10 3742
a=7.7843(16)Å b=12.857(3)Å c=13.002(3)Å
α=113.73(3)° β=106.34(3)° γ=92.43(3)°
2,4,6,8,10,12-hexanitrohexaazaisowurtzitane:
C13.33H15.67N16O18.67
CrystEngComm (2012) 14, 10 3742
a=15.7503(9)Å b=20.5096(13)Å c=23.2073(13)Å
α=90° β=90.092(2)° γ=90°
2,4,6,8,10,12-hexanitrohexaazisowurtzitane:
C24H60N21O15P3
CrystEngComm (2012) 14, 10 3742
a=18.8930(3)Å b=12.07295(13)Å c=21.8241(4)Å
α=90° β=114.977(2)° γ=90°
2,4,6,8,10,12-hexanitrohexaazaisowurtzitane: 1,4-dioxane (1:4) Co-crystal
C10H17N6O9.50
CrystEngComm (2012) 14, 10 3742
a=10.3061(3)Å b=10.7691(3)Å c=14.5298(4)Å
α=73.897(2)° β=89.527(2)° γ=85.057(2)°
C1H5Na1O4
C1H5Na1O4
Dalton transactions (Cambridge, England : 2003) (2007) 20 2014-2019
a=7.6852(9)Å b=3.5113(3)Å c=8.1103(17)Å
α=90° β=111.780(14)° γ=90°
?
CD5NaO4
Dalton transactions (Cambridge, England : 2003) (2007) 20 2014-2019
a=7.6914(9)Å b=3.51868(27)Å c=8.1102(9)Å
α=90.0° β=111.806(8)° γ=90.0°
Metacetamol, 3-Acetamidophenol
C8H9NO2
CrystEngComm (2015) 17, 32 6183
a=7.6202(8)Å b=19.010(3)Å c=10.1116(8)Å
α=90° β=90.388(8)° γ=90°
C2H10BGa
C2H10BGa
Journal of the Chemical Society, Dalton Transactions (2001) 3 304
a=6.4050(8)Å b=7.4178(11)Å c=11.8428(13)Å
α=90.00° β=90.00° γ=90.00°
C6H20BGaO
C6H20BGaO
Journal of the Chemical Society, Dalton Transactions (2001) 3 304
a=7.4628(12)Å b=7.8998(13)Å c=10.539(2)Å
α=87.926(9)° β=77.525(10)° γ=64.083(8)°
C6H18BGaO
C6H18BGaO
Journal of the Chemical Society, Dalton Transactions (2001) 3 304
a=11.5311(15)Å b=7.6473(13)Å c=12.552(2)Å
α=90.00° β=115.422(9)° γ=90.00°
Nitric acid
H1N1O3
Dalton transactions (Cambridge, England : 2003) (2010) 39, 15 3736-3743
a=6.3689(3)Å b=8.6046(4)Å c=16.4141(9)Å
α=90° β=90.055(4)° γ=90°
Nitric acid
H1N1O3
Dalton transactions (Cambridge, England : 2003) (2010) 39, 15 3736-3743
a=6.3031(2)Å b=8.5847(2)Å c=16.3122(4)Å
α=90° β=90.039(2)° γ=90°
H1N1O3
H1N1O3
Dalton transactions (Cambridge, England : 2003) (2010) 39, 15 3736-3743
a=7.3163(4)Å b=8.4176(11)Å c=7.3135(11)Å
α=90° β=116.895(6)° γ=90°
Paracetamol monomethanolate
C9H13N1O3
Chemical Communications (Cambridge, United Kingdom) (2003) 24 3004-3005
a=7.630(2)Å b=17.209(3)Å c=7.3710(11)Å
α=90° β=115.52(3)° γ=90°
Beta-1,3,5-trinitrohexahydro-1,3,5-triazine
C3H6N6O6
Chemical communications (Cambridge, England) (2009) 34, 5 562-564
a=15.0972(7)Å b=7.5463(4)Å c=14.4316(6)Å
α=90° β=90° γ=90°
Beta-1,3,5-trinitrohexahydro-1,3,5-triazine
C3H6N6O6
Chemical communications (Cambridge, England) (2009) 34, 5 562-564
a=15.1267(11)Å b=7.4563(6)Å c=14.3719(11)Å
α=90° β=90° γ=90°
Zeta CL-20 at 3.3 GPa
C6H6N12O12
CrystEngComm (2010) 12, 9 2524
a=12.579(2)Å b=7.7219(19)Å c=14.1260(15)Å
α=90° β=111.218(10)° γ=90°
C7H6Cl1N3O4S2
C7H6Cl1N3O4S2
CrystEngComm (2010) 12, 9 2533
a=4.8746(14)Å b=6.4011(10)Å c=8.980(3)Å
α=74.05(2)° β=83.54(2)° γ=80.468(18)°
C7H6Cl1N3O4S2
C7H6Cl1N3O4S2
CrystEngComm (2010) 12, 9 2533
a=4.835(3)Å b=6.310(2)Å c=8.895(7)Å
α=74.62(4)° β=84.12(5)° γ=80.67(4)°
C7H6Cl1N3O4S2
C7H6Cl1N3O4S2
CrystEngComm (2010) 12, 9 2533
a=4.760(2)Å b=6.1455(12)Å c=8.737(4)Å
α=76.06(3)° β=84.56(3)° γ=81.25(2)°
C7H6Cl1N3O4S2
C7H6Cl1N3O4S2
CrystEngComm (2010) 12, 9 2533
a=4.728(2)Å b=6.0501(14)Å c=8.684(5)Å
α=76.54(3)° β=84.73(4)° γ=81.67(3)°
C7H6Cl1N3O4S2
C7H6Cl1N3O4S2
CrystEngComm (2010) 12, 9 2533
a=4.693(2)Å b=5.9013(14)Å c=8.599(5)Å
α=77.48(3)° β=84.97(4)° γ=82.35(3)°
C7H6Cl1N3O4S2
C7H6Cl1N3O4S2
CrystEngComm (2010) 12, 9 2533
a=4.676(3)Å b=5.8115(17)Å c=8.543(6)Å
α=77.95(4)° β=85.11(5)° γ=82.77(4)°
C7H6Cl1N3O4S2
C7H6Cl1N3O4S2
CrystEngComm (2010) 12, 9 2533
a=4.5100(5)Å b=5.9287(6)Å c=8.503(3)Å
α=76.528(16)° β=85.624(17)° γ=83.203(8)°
C7H6Cl1N3O4S2
C7H6Cl1N3O4S2
CrystEngComm (2010) 12, 9 2533
a=4.4832(4)Å b=5.8932(4)Å c=8.465(2)Å
α=76.234(13)° β=85.836(13)° γ=83.284(6)°
C7H6Cl1N3O4S2
C7H6Cl1N3O4S2
CrystEngComm (2010) 12, 9 2533
a=4.4609(4)Å b=5.8592(5)Å c=8.427(2)Å
α=75.991(15)° β=86.055(14)° γ=83.349(6)°
Metacetamol hemihydrate
2(C8H9NO2),H2O
Acta Crystallographica Section C (2019) 75, 11
a=12.7626(4)Å b=6.92827(14)Å c=19.7011(4)Å
α=90° β=104.619(3)° γ=90°
2(C15H13N3O4S),C4H6O4
2(C15H13N3O4S),C4H6O4
Acta Crystallographica Section C (2019) 75, 1 29-37
a=7.6779(9)Å b=8.4177(9)Å c=14.3934(10)Å
α=79.528(8)° β=74.650(8)° γ=72.820(10)°
Piroxicam--succinic acid--acetonitrile (4/1/2)
4(C15H13N3O4S),C4H6O4,2(C2H3N)
Acta Crystallographica Section C (2019) 75, 1 29-37
a=9.1561(3)Å b=12.7660(5)Å c=15.1022(5)Å
α=83.030(3)° β=75.313(3)° γ=83.972(3)°
Paracetamol hemi-dimethylpiperazine
2[C8H9NO2][C6H14N2]
Acta Crystallographica Section B (2002) 58, 6 1057-1066
a=10.6970(9)Å b=11.0240(9)Å c=9.4896(8)Å
α=90.00° β=100.684(2)° γ=90.00°
Paracetamol hemi(N-Methylmorpholine)
2[C8H9NO2][C5H11NO]
Acta Crystallographica Section B (2002) 58, 6 1057-1066
a=10.5749(8)Å b=11.0221(8)Å c=9.3894(7)Å
α=90.00° β=101.145(2)° γ=90.00°
Paracetamol-bipyridine
[C8H9NO2][C10H8N2]
Acta Crystallographica Section B (2002) 58, 6 1057-1066
a=11.2906(10)Å b=24.103(2)Å c=11.5526(10)Å
α=90.00° β=96.1484(16)° γ=90.00°
2[C8H9NO2][C4H9NO]
2[C8H9NO2][C4H9NO]
Acta Crystallographica Section B (2002) 58, 6 1057-1066
a=7.2791(9)Å b=14.6277(18)Å c=18.303(2)Å
α=90.00° β=90.00° γ=90.00°
Paracetamol hemi-dioxane
2[C8H9O2N],[C4H8O2]
Acta Crystallographica Section B (2002) 58, 6 1057-1066
a=12.421(5)Å b=12.056(4)Å c=13.396(3)Å
α=90.00° β=91.51(3)° γ=90.00°
Phosphoric acid
H3O4P
Acta Crystallographica Section B (2017) 73, 6 1068-1074
a=5.707(2)Å b=4.820(2)Å c=11.436(2)Å
α=90.00° β=94.75(5)° γ=90.00°
Phosphoric acid
H3O4P
Acta Crystallographica Section B (2017) 73, 6 1068-1074
a=4.619(5)Å b=8.479(17)Å c=14.38(3)Å
α=90.00° β=90.00° γ=90.00°
Phosphoric acid
D3O4P
Acta Crystallographica Section B (2017) 73, 6 1068-1074
a=5.6927(4)Å b=4.81609(27)Å c=11.4468(7)Å
α=90.0° β=94.704(6)° γ=90.0°
Phosphoric acid
D3O4P
Acta Crystallographica Section B (2017) 73, 6 1068-1074
a=5.6334(4)Å b=4.78996(32)Å c=11.3055(8)Å
α=90.0° β=94.255(7)° γ=90.0°
Phosphoric acid
D3O4P
Acta Crystallographica Section B (2017) 73, 6 1068-1074
a=5.7493(5)Å b=4.83921(33)Å c=11.6170(8)Å
α=90.0° β=95.150(7)° γ=90.0°
Phosphoric acid
D3O4P
Acta Crystallographica Section B (2017) 73, 6 1068-1074
a=5.5356(5)Å b=4.7522(4)Å c=11.1169(9)Å
α=90.0° β=93.561(8)° γ=90.0°