Crystallography Open Database

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1101062 CIF
Paper
Ca2 Fe2 O5Imma(00\g)s005.4931; 15.038; 5.6511
90; 90; 90
466.81Krüger, Hannes; Kahlenberg, Volker
Incommensurately modulated ordering of tetrahedral chains in Ca~2~Fe~2~O~5~ at elevated temperatures
Acta Crystallographica Section B, 2005, 61, 656-662
2100000 CIF
Paper
C22 H12 Cl2 N6 O4P -14.2753; 8.311; 14.092
107.23; 93.53; 97.17
471.9Schmidt, Martin U.; Ermrich, Martin; Dinnebier, Robert E.
Determination of the structure of the violet pigment C~22~H~12~Cl~2~N~6~O~4~ from a non-indexed X-ray powder diagram
Acta Crystallographica Section B, 2005, 61, 37-45
2100001 CIF
Paper
C22 H12 Cl2 N6 O4P -14.3346; 8.4193; 13.9057
106.947; 92.9106; 95.118
481.934Schmidt, Martin U.; Ermrich, Martin; Dinnebier, Robert E.
Determination of the structure of the violet pigment C~22~H~12~Cl~2~N~6~O~4~ from a non-indexed X-ray powder diagram
Acta Crystallographica Section B, 2005, 61, 37-45
2100002 CIFCa F6 TbP 42/m5.2696; 5.2696; 7.7105
90; 90; 90
214.106Josse, Michaël; Dubois, Marc; El-Ghozzi, Malika; Cellier, Joël; Avignant, Daniel
Anti-KSbF~6~ structure of CaTbF~6~ and CdTbF~6~: a confirmation of the singular crystal chemistry of Tb^4+^ in fluorides
Acta Crystallographica, Section B: Structural Science, 2005, 61, 1-10
2100003 CIFCd F6 TbP 42/m5.1877; 5.1877; 7.69451
90; 90; 90
207.077Josse, Michaël; Dubois, Marc; El-Ghozzi, Malika; Cellier, Joël; Avignant, Daniel
Anti-KSbF~6~ structure of CaTbF~6~ and CdTbF~6~: a confirmation of the singular crystal chemistry of Tb^4+^ in fluorides
Acta Crystallographica, Section B: Structural Science, 2005, 61, 1-10
2100004 CIFCu0.63 O5 V2C 1 2/m 115.1; 3.6382; 10.0595
90; 105.585; 90
532.32Streltsov, Victor A.; Nakashima, Philip N. H.; Sobolev, Alexandre N.; Ozerov, Ruslan P.
Crystal structure study of a β'-copper vanadium bronze, Cu~x~V~2~O~5~ (x= 0.63), by X-ray and convergent beam electron diffraction
Acta Crystallographica, Section B: Structural Science, 2005, 61, 17-24
2100005 CIF
HKL
Paper
C6 H11 N O2P n 21 a10.8548; 9.752; 6.1152
90; 90; 90
647.331Asiloé J. Mora; Edward E. Ávila; Gerzon E. Delgado; Andrew N. Fitch; Michella Brunelli
Temperature effects on the hydrogen-bond patterns in 4-piperidinecarboxylic acid
Acta Crystallographica Section B, 2005, 61, 96-102
2100006 CIF
Paper
C6 H11 N O2P 21 21 2111.7537; 10.1013; 5.5787
90; 90; 90
662.35Asiloé J. Mora; Edward E. Ávila; Gerzon E. Delgado; Andrew N. Fitch; Michella Brunelli
Temperature effects on the hydrogen-bond patterns in 4-piperidinecarboxylic acid
Acta Crystallographica Section B, 2005, 61, 96-102
2100007 CIF
Paper
C16 H16 N4P n a 2119.499; 4.7884; 15.106
90; 90; 90
1410.4Eugenia V. Peresypkina; Mark B. Bushuev; Alexander V. Virovets; Victor P. Krivopalov; Ludmila G. Lavrenova; Stanislav V. Larionov
Three differently coloured concomitant polymorphs: synthesis, structure and packing analysis of (4-(3',5'-dimethyl-1<i>H</i>-pyrazol-1'-yl)-6-methyl-2-phenylpyrimidine)dichlorocopper(II)
Acta Crystallographica Section B, 2005, 61, 164-173
2100008 CIF
HKL
Paper
C16 H16 Cl2 Cu N4P 1 21/c 17.2156; 11.6522; 20.3956
90; 99.841; 90
1689.58Peresypkina, Eugenia V.; Bushuev, Mark B.; Virovets, Alexander V.; Krivopalov, Victor P.; Lavrenova, Ludmila G.; Larionov, Stanislav V.
Three differently coloured concomitant polymorphs: synthesis, structure and packing analysis of (4-(3',5'-dimethyl-1<i>H</i>-pyrazol-1'-yl)-6-methyl-2-phenylpyrimidine)dichlorocopper(II)
Acta Crystallographica Section B, 2005, 61, 164-173
2100009 CIF
HKL
Paper
C16 H16 Cl2 Cu N4P b c a11.6899; 14.9843; 19.2115
90; 90; 90
3365.2Peresypkina, Eugenia V.; Bushuev, Mark B.; Virovets, Alexander V.; Krivopalov, Victor P.; Lavrenova, Ludmila G.; Larionov, Stanislav V.
Three differently coloured concomitant polymorphs: synthesis, structure and packing analysis of (4-(3',5'-dimethyl-1<i>H</i>-pyrazol-1'-yl)-6-methyl-2-phenylpyrimidine)dichlorocopper(II)
Acta Crystallographica Section B, 2005, 61, 164-173
2100010 CIF
Paper
C16 H16 Cl2 Cu N4P 1 21/n 19.7652; 18.7631; 9.8115
90; 108.544; 90
1704.38Peresypkina, Eugenia V.; Bushuev, Mark B.; Virovets, Alexander V.; Krivopalov, Victor P.; Lavrenova, Ludmila G.; Larionov, Stanislav V.
Three differently coloured concomitant polymorphs: synthesis, structure and packing analysis of (4-(3',5'-dimethyl-1<i>H</i>-pyrazol-1'-yl)-6-methyl-2-phenylpyrimidine)dichlorocopper(II)
Acta Crystallographica Section B, 2005, 61, 164-173
2100011 CIF
HKL
Paper
C14 H10 Cr N2P 1 21/n 17.73; 12.0887; 11.1762
90; 91.683; 90
1043.92Khrustalev, Victor N.; Vasil'kov, Alexander Yu.; Antipin, Mikhail Yu.
Substituent effects in bis(arene)chromium compounds containing a CN group in the aromatic ring
Acta Crystallographica Section B, 2005, 61, 304-311
2100012 CIF
HKL
Paper
C14 H13 Cr NP b c a12.9628; 12.0803; 13.61
90; 90; 90
2131.3Khrustalev, Victor N.; Vasil'kov, Alexander Yu.; Antipin, Mikhail Yu.
Substituent effects in bis(arene)chromium compounds containing a CN group in the aromatic ring
Acta Crystallographica Section B, 2005, 61, 304-311
2100013 CIF
HKL
Paper
C14 H10 Cr F3 NP 1 21/c 19.7145; 7.8227; 15.74
90; 98.276; 90
1183.7Khrustalev, Victor N.; Vasil'kov, Alexander Yu.; Antipin, Mikhail Yu.
Substituent effects in bis(arene)chromium compounds containing a CN group in the aromatic ring
Acta Crystallographica Section B, 2005, 61, 304-311
2100014 CIFC H2 Cl2P b c n3.984; 7.863; 9.357
90; 90; 90
293.12Marcin Podsiad{λ}o; Kamil F. Dziubek; Andrzej Katrusiak
In-situ high-pressure crystallization and compression of halogen contacts in dichloromethane
Acta Crystallographica, Section B, 2005, 61, 595-600
2100015 CIFC H2 Cl2P b c n3.924; 7.793; 9.335
90; 90; 90
285.46Marcin Podsiad{λ}o; Kamil F. Dziubek; Andrzej Katrusiak
In-situ high-pressure crystallization and compression of halogen contacts in dichloromethane
Acta Crystallographica, Section B, 2005, 61, 595-600
2100016 CIF
Paper
C18 H26 OP -19.883; 11.579; 15.089
75.71; 73.51; 74.46
1567.67Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100017 CIF
Paper
C16 H18 Cl2 N6 O8 PdP -114.89; 7.968; 4.844
81.51; 84.22; 82.93
562.091Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100018 CIF
Paper
C48 H70 I N11 O13C 1 2 140.254; 12.53; 11.134
90; 98.48; 90
5554.4Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100019 CIF
Paper
C20 H44 O4 Sn2P -16.1757; 9.5349; 11.118
74.89; 81.36; 85.96
624.537Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100020 CIF
Paper
C30 H23 Cl3 N2 O P Re SP -110.369; 11.459; 13.787
91.08; 89.92; 106.98
1566.44Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100021 CIF
Paper
C32 H42 O6 Ti2C 1 2 123.2475; 7.9835; 23.097
90; 132.93; 90
3138.68Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100022 CIF
Paper
C22 H40 N6 Ni O2P -18.278; 8.8263; 9.1436
68.31; 70.64; 76
580.208Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100023 CIF
Paper
C28 H70 Cu3 F12 N8 O20 S4P -110.345; 10.72; 13.619
80.4; 71.41; 85.14
1410.67Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100024 CIF
Paper
C22.5 H28 N5 O1.5 S3P -110.1701; 12.2024; 12.395
75.76; 69.47; 73.75
1364.14Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100025 CIF
Paper
C44 H50 Cl2 N6 O8 PdP -17.9009; 9.3964; 15.9253
77.99; 77.34; 82.23
1123.32Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100026 CIF
Paper
C32 H64 B2 Ga2 O2P -19.209; 10.184; 10.503
69.55; 67.75; 77.23
849.734Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100027 CIF
Paper
C90 H98 B2 N2 Ni P4P -113.581; 13.11; 13.483
118.45; 116.09; 80.22
1893.23Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100028 CIF
Paper
C40 H46 N2 O14P -17.705; 10.871; 11.54
100.4; 91.38; 98.01
940.243Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100029 CIF
Paper
C10 H36 Cl2 Nd2 O20P -17.877; 8.781; 10.444
110.69; 95.24; 103.48
645.094Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100030 CIF
Paper
C35 H56 Si SmP -19.6021; 10.066; 18.8579
75.47; 79.54; 67.68
1624.62Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100031 CIF
Paper
C42 H54 N4P -111.915; 12.05; 13.544
105.67; 99.14; 93.4
1837.83Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100032 CIF
Paper
C7 H6 N2 O5C 1 c 13.854; 14.985; 14.476
90; 93.03; 90
834.852Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100033 CIF
Paper
C34 H52 Cl2 N2 O6P -18.909; 9.158; 11.841
73.41; 76.51; 80.38
895.079Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100034 CIF
Paper
C32 H54 Ca2 O39 S24 Te W6P -110.982; 16.604; 22.314
106.29; 95.71; 91.74
3878.88Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100035 CIF
Paper
C44 H44 N2 O6P -110.3654; 12.1845; 7.5077
92.5; 97.77; 93.56
936.385Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100036 CIF
Paper
C50 H44 N2 O6P -111.278; 11.879; 7.9492
95.74; 97.15; 102.08
1024.53Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100037 CIF
Paper
C12 H14 Cl8 N2 Sb2P -15.7068; 9.3857; 11.7427
66.77; 89.3; 78.68
565.246Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100038 CIF
Paper
C18 H44 Fe N15 Ni2 O5P -18.9298; 9.9353; 10.1319
85.91; 65.12; 81.74
806.959Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100039 CIF
Paper
C22 H20 F6 Fe P RuP -19.35; 10.777; 10.98
91.84; 96.66; 111.12
1021.85Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100040 CIF
Paper
C33 H33 N SiR 324.95; 24.95; 10.878
90; 90; 120
5864.36Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100041 CIF
Paper
C36 H32 Ag2 Cl2 N4 O8 S4P -18.1587; 8.4447; 14.745
87.31; 82.64; 72.72
962.01Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100042 CIF
Paper
C49 H35 Cl12 F7 O7 Sb2 ZnP -111.4503; 11.8509; 14.6041
66.25; 67.06; 74.78
1657.29Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100043 CIF
Paper
C14 H16 N4 O4P -16.591; 8.541; 14.062
98.24; 95.42; 97.08
772.374Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100044 CIF
Paper
C38 H30 Cl2 O2 P2 RuP -19.0866; 10.3456; 11.003
108.29; 113.67; 100.07
843.934Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100045 CIF
Paper
C32 H78 N6 Ni2 O22P -19.829; 10.796; 11.473
95.39; 98.82; 93.07
1194.87Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100046 CIF
Paper
C56 H50 N2 O2 TiC 1 c 110.912; 21.334; 19.529
90; 106.02; 90
4369.73Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100047 CIF
Paper
C68 H80 Fe2 P2 Pt S4P -110.2709; 11.1981; 14.226
95.84; 101.31; 93.95
1589.46Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100048 CIF
Paper
C18 H16 O4P 21 21 2116.047; 19.51; 4.8643
90; 90; 90
1522.9Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100049 CIF
Paper
C20 H44 N6 Si2 ZrP -19.61; 11.869; 12.58
80.98; 76.26; 88.22
1376.56Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100050 CIF
Paper
C32 H70 Cl2 N6 O10 ZnP -19.7472; 9.8061; 12.046
66.69; 76.81; 87.93
1027.61Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100051 CIF
Paper
C12 H17 N3 O2 SP -18.119; 9.064; 9.629
100.43; 101.67; 96.33
674.508Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100052 CIF
Paper
C68 H144 Cr2 N2 O7P -134.33; 7.8; 7.25
103.69; 89.86; 94.13
1881.1Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100053 CIF
Paper
C62 H104 P4 Pt2P -111.781; 12.004; 24.366
89.36; 76.46; 114.07
3036.59Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100054 CIF
Paper
C26 H32 Cl Cu N4 O4P -111.956; 12.073; 10.379
106.49; 106.11; 99.27
1332.52Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100055 CIF
Paper
C34 H25 N O2P -111.683; 13.927; 9.004
102.1; 110.74; 105.05
1247.15Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100056 CIF
Paper
C23.5 H19 Cl Mo N2 O2P -18.673; 10.3368; 12.355
96.58; 98.95; 100.32
1064.82Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100057 CIF
Paper
C44 H60 N10 Nd2 O24 S2P -18.541; 11.915; 15.906
107.22; 98.12; 99.78
1491.79Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100058 CIF
Paper
C54 H48 Br8 Mo6 N6 O4 P2P -111.627; 11.853; 14.234
71.82; 67.59; 62.75
1589.54Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100059 CIF
Paper
C54 H72 N4 O4 Zn2P -18.862; 12.6561; 12.8004
107.61; 96.48; 103.36
1305.25Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100060 CIF
Paper
C50 H64 N4 O4 Zn2P -110.9851; 11.0493; 11.0703
109.1; 94.37; 107.8
1185.52Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100061 CIF
Paper
C42 H32 S4 Sn2P -16.526; 9.815; 16.821
87.2; 87.21; 71.13
1017.69Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100062 CIF
Paper
C46 H45 B Cl4 N2 O PdP -112.868; 13.682; 13.831
91.02; 91.61; 117.97
2148.48Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100063 CIF
Paper
C71 H76 O8 Ti2P -111.037; 12.215; 12.659
73.7; 70.09; 78.34
1529.37Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100064 CIF
Paper
C12 H28 N4 O2 P2P -18.724; 8.341; 6.335
98.15; 85.6; 105.51
439.341Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100065 CIF
Paper
C44 H32 N4 Ni5 S50P -112.939; 20.379; 8.807
102.07; 103.17; 74.04
2147.25Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100066 CIF
Paper
C28 H44 Cu F6 O10P -19.762; 9.861; 10.409
107.14; 111.35; 94.39
872.56Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100067 CIF
Paper
C8 H22 Cl2 O5 Ru S4P -18.863; 14.462; 7.543
103.39; 113.31; 77.23
854.676Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100068 CIF
Paper
C52 H44 Cd N4 O4P -111.327; 11.614; 9.845
102.59; 114.16; 65.5
1073.47Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100069 CIF
Paper
C18 H42 Fe N6 O6 S6 W2P -18.778; 9.467; 11.362
71.51; 74.78; 74.78
847.307Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100070 CIF
Paper
C85 H85 B Cl3 Cs O10P -113.7451; 16.314; 17.1382
91.16; 93.15; 100.34
3773.13Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100071 CIF
Paper
C16 H15 N3 O2P -19.2694; 9.4267; 9.6076
76; 62.89; 89.87
719.391Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100072 CIF
Paper
C18 H32 N11 O11 PrP -110.19; 10.631; 14.062
82.49; 69.36; 83.35
1409.33Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100073 CIF
Paper
C46 H46 O8I -419.86; 19.86; 4.953
90; 90; 90
1953.56Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100074 CIF
Paper
C68 H94 N8 O2 Si3P -110.0622; 12.4188; 13.788
92.86; 107.29; 94.75
1634.42Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100075 CIF
Paper
C52 H62 N8 O2 Si3P -19.758; 9.974; 13.562
78.85; 73.69; 78.88
1229.38Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100076 CIF
Paper
C13 H14 N2 O5 SC 1 c 18.016; 14.258; 12.6
90; 104.35; 90
1395.15Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100077 CIF
Paper
C82.5 H105.5 N6.5 O6.5P -114.692; 16.59; 19.134
73.51; 73.22; 66.77
4025.84Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100078 CIF
Paper
C21 H46 Cl12 N O2.5 Te6C 1 c 112.426; 22.219; 8.782
90; 94.63; 90
2416.74Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100079 CIF
Paper
C13 H21 Cl N2 O5 SC 1 2 119.127; 6.897; 15.147
90; 119.85; 90
1733.08Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100080 CIF
Paper
C38 H39 Mo N O4 P2C 1 m 113.796; 16.637; 9.462
90; 124.43; 90
1791.3Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100081 CIF
Paper
C16 H24 O2P -113.514; 23.4672; 7.658
90.91; 100.4; 77.78
2333.97Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100082 CIF
Paper
C30 H26 B2 Cu F18 N12P -110.2686; 10.828; 11.4112
113.56; 99.74; 111.22
1008.39Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100083 CIF
Paper
C14 H16 Co N6 O4 S2P -18.264; 7.57; 9.018
69.93; 106.98; 113.32
478.561Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100084 CIF
Paper
C48 H50 Ag2 F6 N2 O6 P2P -19.7472; 9.5883; 15.104
83.85; 73.8; 62.91
1206.51Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100085 CIF
Paper
C32 H52 P2 PtP -18.238; 9.677; 10.806
66.07; 77.7; 89.39
766.549Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100086 CIF
Paper
C13 H25 O10.5C 1 2 121.735; 4.93; 17.386
90; 123.5; 90
1553.51Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100087 CIF
Paper
C40 H28 Cl2 O2 S2P -19.997; 10.092; 9.13
82.91; 114.09; 93.65
834.379Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100088 CIF
Paper
C38 H72 Cl8 Mo6 N8 O6P -112.006; 12.084; 12.143
61.97; 75.97; 76.53
1494.04Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100089 CIF
Paper
C44 H84 Br8 Mo6 N8 O2 Se6P -111.014; 12.716; 13.323
78.48; 81.92; 83.11
1802.06Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100090 CIF
Paper
C23 H19 N O3P -18.057; 9.367; 13.226
80.7; 73.44; 84.75
943.097Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100091 CIF
Paper
C20 H29 N O4C 1 2 117.138; 9.998; 13.404
90; 119.2; 90
2004.86Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100092 CIF
Paper
C17 H14 N2 O3P -18.153; 8.96; 10.443
73.57; 82.87; 74.41
703.843Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100093 CIF
Paper
C10 H12 I N3 OP -17.504; 8.959; 9.586
104.2; 109.3; 89.9
587.428Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100094 CIF
Paper
C22 H32 Cd N6 O8 S2P -111.0107; 11.2093; 11.8222
86.9; 68.26; 80.62
1337.19Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100095 CIF
Paper
C60 H66 Cu2 N3 O12P -111.912; 13.626; 10.04
95.03; 114.8; 73.58
1418.11Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100096 CIF
Paper
C60 H48 N4 O4 P4 S4P -19.165; 12.509; 13.587
109.57; 96.12; 106.49
1371.82Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100097 CIF
Paper
C30 H26 Cu N4 O4P -17.093; 8.662; 11.335
75.96; 76.4; 89.52
655.794Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100098 CIF
Paper
C26 H32 Cu N4 O4P -110.167; 10.377; 13.337
70.46; 70.96; 86.74
1251.35Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100099 CIF
Paper
C17 H20 N2 O2P -19.212; 13.454; 6.69
82.19; 111.22; 109.42
728.84Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100100 CIF
Paper
C21 H30 O3P -18.038; 10.391; 12.299
100.51; 107.29; 104.9
909.795Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100101 CIF
Paper
C63 H49 Cl F6 N3 O2 P3 Ru SP -113.852; 14.375; 16.522
108.34; 109.94; 92.57
2892.59Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100102 CIF
Paper
C45 H30 Au Fe O PP -19.7888; 12.6542; 14.9629
88.49; 74.93; 86.03
1785.34Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100103 CIF
Paper
C41 H34 Cl O5 P2 RhP -19.233; 9.5526; 11.657
109.93; 108.35; 96.83
887.436Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100104 CIF
Paper
C34 H32 Fe N2 O5P -19.396; 10.246; 16.126
99.33; 101.5; 106.72
1416.59Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100105 CIF
Paper
C46 H38 Cu2 I2 N2 P2P -19.2279; 9.4014; 13.3663
107.44; 106.71; 93.48
1045.8Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100106 CIF
Paper
C26 H28 Ag2 Cl2 N4 O8P -19.045; 9.658; 9.949
66.18; 68.22; 69.59
717.804Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100107 CIF
Paper
C70 H86 Cl2 N4 O7 P2 Rh2P -110.3194; 10.5582; 17.3713
97.01; 94.35; 112.15
1724.54Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100108 CIF
Paper
C54 H50 N3 O4 P2 RhP -19.3586; 11.0979; 12.374
73.71; 71.41; 80.67
1165.48Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100109 CIF
Paper
C30 H26 F6 Mo2 N8 O4P -19.0803; 9.9731; 10.9741
64.44; 83.61; 67.1
823.963Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100110 CIF
Paper
C6 H8 Mn N2 O6 SP 1 21 18.4549; 6.6221; 9.0743
90; 91.57; 90
507.872Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100111 CIF
Paper
C8 H25 Cl5 Co N5 ZnP -19.3281; 9.5426; 11.448
105.56; 92.96; 106.29
933.365Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100112 CIF
Paper
C6 H34 B12 N2 O28 ZnP -18.3014; 9.2489; 10.442
106.71; 94.22; 100.02
749.635Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100113 CIF
Paper
C24 H34 N3 O2 Re S3P -19.3604; 11.044; 13.823
89.19; 74.5; 75.04
1328.02Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100114 CIF
Paper
C42 H26 Co3 N4 O14P -17.7709; 10.572; 12.178
88.49; 77.97; 69.84
917.423Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100115 CIF
Paper
C24 H29 N O5 SP -110.3108; 12.1191; 12.307
62.14; 66.18; 89.93
1209.9Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100116 CIF
Paper
C29 H30 O3 SP 1 21/c 114.935; 6.618; 25.302
90; 100.4; 90
2459.76Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100117 CIF
Paper
C48 H44 N8 Ni2 O8P -19.1818; 9.7958; 12.8848
90.24; 90.02; 90.38
1158.86Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100118 CIF
Paper
C11 H16 Cl2 Hg N4P -17.865; 9.282; 11.6
67.21; 70.85; 79.36
735.906Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100119 CIF
Paper
C42 H42 Cl2 Cu2 N12 O15P -19.599; 11.206; 12.48
73.22; 77.84; 76.88
1236.47Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100120 CIF
Paper
C42 H42 B2 Cu2 F8 N12 O7P -19.6285; 11.1703; 12.3806
73.81; 78.15; 76.59
1229.71Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100121 CIF
Paper
C2 H8 O SiP n a 2129.207; 4.524; 7.339
90; 90; 90
969.72Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100122 CIF
Paper
C36 H37 Co F12 O2P -18.979; 10.651; 10.736
100.77; 99.56; 114.06
886.797Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100123 CIF
Paper
C41.5 H41 N4 Ni O4.5P -111.376; 12.09; 14.155
91.53; 104.32; 105.6
1807.76Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100124 CIF
Paper
C34 H34 Cl2 Cu2 N8 S2P -17.544; 11.099; 12.258
65.92; 72.26; 76.24
884.857Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100125 CIF
Paper
C40 H36 Co N10 O4 S2P -19.9613; 10.5477; 11.0869
65.2; 71.95; 74.36
992.174Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100126 CIF
Paper
C20 H25 Cl Fe N5 O7P -18.8643; 11.1566; 12.3585
99.89; 104.14; 90.07
1166.36Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100127 CIF
Paper
C48 H38 N12P -110.307; 12.671; 17.474
72.9; 82.82; 68.48
2028.79Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100128 CIF
Paper
C11 H10 Cl Cu N3 O2P -17.2685; 9.0937; 9.7803
74.54; 84.6; 72.68
594.735Richard E. Marsh
Space group <i>P</i>1: an update
Acta Crystallographica Section B, 2005, 61, 359-359
2100129 CIFC27 H30 N8 O4P -18.7035; 12.496; 13.7034
63.416; 89.997; 78.22
1297.62Acta Crystallographica, Section B, 2005, 61, 569-576
2100130 CIFC23 H27 N7 O3C 1 2/c 133.9318; 5.025; 30.4072
90; 122.689; 90
4363.47Acta Crystallographica, Section B, 2005, 61, 569-576
2100131 CIFC25 H36 Cl N9 O6P -110.533; 11.1912; 14.2829
85.532; 81.842; 63.019
1485.02Acta Crystallographica, Section B, 2005, 61, 569-576
2100132 CIFC24 H33 N7 O5P 1 21/a 110.4021; 15.3698; 16.6432
90; 99.085; 90
2627.5Acta Crystallographica, Section B, 2005, 61, 569-576
2100133 CIF
Paper
C12 H17 N O6P 1 21 16.3425; 13.9448; 7.5021
90; 107.66; 90
632.25Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher
Supramolecular structures of 1-phenylethylammonium tartrates
Acta Crystallographica Section B, 2005, 61, 103-114
2100134 CIF
Paper
C12 H17 N O6P 1 21 17.3025; 22.8901; 8.1193
90; 96.599; 90
1348.19Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher
Supramolecular structures of 1-phenylethylammonium tartrates
Acta Crystallographica Section B, 2005, 61, 103-114
2100135 CIF
Paper
C12 H17 N O6P 1 21 17.2952; 22.8935; 8.11
90; 96.603; 90
1345.49Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher
Supramolecular structures of 1-phenylethylammonium tartrates
Acta Crystallographica Section B, 2005, 61, 103-114
2100136 CIF
Paper
C20 H28 N2 O6P 1 21 15.562; 16.063; 11.826
90; 103.281; 90
1028.31Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher
Supramolecular structures of 1-phenylethylammonium tartrates
Acta Crystallographica Section B, 2005, 61, 103-114
2100137 CIF
Paper
C20 H28 N2 O6P 1 21 18.3381; 22.738; 10.819
90; 90.12; 90
2051.2Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher
Supramolecular structures of 1-phenylethylammonium tartrates
Acta Crystallographica Section B, 2005, 61, 103-114
2100138 CIF
Paper
C41 H60 N4 O13P 19.0822; 15.7819; 15.904
108.746; 96.858; 90.06
2141.33Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher
Supramolecular structures of 1-phenylethylammonium tartrates
Acta Crystallographica Section B, 2005, 61, 103-114
2100139 CIF
Paper
C8 H16 N4P 1 21/c 120.247; 18.212; 27.665
90; 102.94; 90
9942.1Hao, Xiang; Chen, Jing; Cammers, Arthur; Parkin, Sean; Brock, Carolyn Pratt
A helical structure with <i>Z</i>' = 10
Acta Crystallographica Section B, 2005, 61, 218-226
2100140 CIF
Paper
C14 H7 I N2 O4P 21 21 214.1092; 6.7843; 48.6775
90; 90; 90
1357.03Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L.
Isomeric <i>N</i>-(iodophenyl)nitrophthalimides: interplay of C—H···O hydrogen bonds, iodo···nitro and iodo···carbonyl interactions, and aromatic π···π stacking interactions
Acta Crystallographica Section B, 2005, 61, 227-237
2100141 CIF
Paper
C14 H7 I N2 O4P 1 21/c 17.9592; 6.5708; 25.648
90; 97.96; 90
1328.4Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L.
Isomeric <i>N</i>-(iodophenyl)nitrophthalimides: interplay of C—H···O hydrogen bonds, iodo···nitro and iodo···carbonyl interactions, and aromatic π···π stacking interactions
Acta Crystallographica Section B, 2005, 61, 227-237
2100142 CIF
Paper
C14 H7 I N2 O4P 1 21/n 113.4591; 7.6018; 14.7086
90; 110.592; 90
1408.74Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L.
Isomeric <i>N</i>-(iodophenyl)nitrophthalimides: interplay of C—H···O hydrogen bonds, iodo···nitro and iodo···carbonyl interactions, and aromatic π···π stacking interactions
Acta Crystallographica Section B, 2005, 61, 227-237
2100143 CIF
Paper
C14 H7 I N2 O4P 1 21/n 17.5238; 22.6556; 7.9201
90; 107.382; 90
1288.38Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L.
Isomeric <i>N</i>-(iodophenyl)nitrophthalimides: interplay of C—H···O hydrogen bonds, iodo···nitro and iodo···carbonyl interactions, and aromatic π···π stacking interactions
Acta Crystallographica Section B, 2005, 61, 227-237
2100144 CIF
Paper
C14 H7 I N2 O4P 21 21 216.807; 13.0955; 14.8369
90; 90; 90
1322.58Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L.
Isomeric <i>N</i>-(iodophenyl)nitrophthalimides: interplay of C—H···O hydrogen bonds, iodo···nitro and iodo···carbonyl interactions, and aromatic π···π stacking interactions
Acta Crystallographica Section B, 2005, 61, 227-237
2100145 CIF
HKL
Paper
C11.33 H12.95 O48 Si24P 21 21 2120.099; 19.844; 13.424
90; 90; 90
5354.09Nishi, Koji; Hidaka, Akira; Yokomori, Yoshinobu
Structure of toluene6.4-ZSM-5 and the toluene disproportionation reaction on ZSM-5
Acta Crystallographica Section B, 2005, 61, 160-163
2100146 CIF
HKL
Paper
C6 H5 F OP 1 21 15.651; 5.0642; 9.3185
90; 107.518; 90
254.31Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon
Structures of the monofluoro- and monochlorophenols at low temperature and high pressure
Acta Crystallographica Section B, 2005, 61, 69-79
2100147 CIF
Paper
C6 H5 F OP 1 21 15.6747; 5.076; 9.4753
90; 107.832; 90
259.82Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon
Structures of the monofluoro- and monochlorophenols at low temperature and high pressure
Acta Crystallographica Section B, 2005, 61, 69-79
2100148 CIF
HKL
Paper
C6 H5 Cl OP 21 21 213.9846; 13.9272; 20.699
90; 90; 90
1148.7Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon
Structures of the monofluoro- and monochlorophenols at low temperature and high pressure
Acta Crystallographica Section B, 2005, 61, 69-79
2100149 CIF
Paper
C6 H5 Cl OP 21 21 214.0949; 13.875; 20.716
90; 90; 90
1177Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon
Structures of the monofluoro- and monochlorophenols at low temperature and high pressure
Acta Crystallographica Section B, 2005, 61, 69-79
2100150 CIF
HKL
Paper
C6 H5 Cl OP 1 21/c 18.7086; 15.4523; 8.7414
90; 93.954; 90
1173.5Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon
Structures of the monofluoro- and monochlorophenols at low temperature and high pressure
Acta Crystallographica Section B, 2005, 61, 69-79
2100151 CIF
Paper
C6 H5 Cl OP 1 21/c 13.9724; 12.7328; 23.155
90; 94.126; 90
1168.1Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon
Structures of the monofluoro- and monochlorophenols at low temperature and high pressure
Acta Crystallographica Section B, 2005, 61, 69-79
2100152 CIF
Paper
C6 H5 Cl OP 1 21/c 14.1096; 12.7665; 23.181
90; 94.201; 90
1212.9Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon
Structures of the monofluoro- and monochlorophenols at low temperature and high pressure
Acta Crystallographica Section B, 2005, 61, 69-79
2100153 CIF
HKL
Paper
C6 H5 F OC 1 2/c 117.1336; 8.2766; 11.4975
90; 100.234; 90
1604.5Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon
Structures of the monofluoro- and monochlorophenols at low temperature and high pressure
Acta Crystallographica Section B, 2005, 61, 69-79
2100154 CIF
Paper
C6 H5 F OP 21 21 215.7168; 9.9997; 17.868
90; 90; 90
1021.4Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon
Structures of the monofluoro- and monochlorophenols at low temperature and high pressure
Acta Crystallographica Section B, 2005, 61, 69-79
2100155 CIF
Paper
H18 O10 SrP 4/n c c :18.999; 8.999; 11.566
90; 90; 90
936.6Ricci, John S.; Stevens, Raymond C.; McMullan, Richard K.; Klooster, Wim T.
Structure of strontium hydroxide octahydrate, Sr(OH)~2~·8H~2~O, at 20, 100 and 200K from neutron diffraction
Acta Crystallographica Section B, 2005, 61, 381-386
2100156 CIF
Paper
H18 O10 SrP 4/n c c :18.99; 8.99; 11.534
90; 90; 90
932.2Ricci, John S.; Stevens, Raymond C.; McMullan, Richard K.; Klooster, Wim T.
Structure of strontium hydroxide octahydrate, Sr(OH)~2~·8H~2~O, at 20, 100 and 200K from neutron diffraction
Acta Crystallographica Section B, 2005, 61, 381-386
2100157 CIF
Paper
H18 O10 SrP 4/n c c :18.984; 8.984; 11.517
90; 90; 90
929.6Ricci, John S.; Stevens, Raymond C.; McMullan, Richard K.; Klooster, Wim T.
Structure of strontium hydroxide octahydrate, Sr(OH)~2~·8H~2~O, at 20, 100 and 200K from neutron diffraction
Acta Crystallographica Section B, 2005, 61, 381-386
2100158 CIF
Paper
C20 H16 Cl2 ZrC 1 2/c 115.387; 10.512; 11.927
90; 121.85; 90
1638.7Stash, Adam I.; Tanaka, Kiyoaki; Shiozawa, Kazunari; Makino, Hitoshi; Tsirelson, Vladimir G.
Atomic interactions in ethylenebis(1-indenyl)zirconium dichloride as derived by experimental electron density analysis
Acta Crystallographica Section B, 2005, 61, 418-428
2100159 CIF
Paper
B32 K16 Nb16 O96P b n 217.3056; 31.1632; 9.1659
90; 90; 90
2086.8Schmid, Siegbert; Wagner, Trixie
Structure of KNbOB~2~O~5~ ‒ a commensurately modulated structure
Acta Crystallographica Section B, 2005, 61, 361-366
2100160 CIF
Paper
C12 H24 Cl Mn N6 O6C -130.5936; 18.8967; 12.8288
90.18; 111.561; 90.083
6897.5A. David Rae; Susanne Mossin; Henning O. Sørensen
Structure refinement of a twinned pseudo-symmetric crystal of [Mn(C~10~H~24~N~4~)(NCO)~2~]^+^·ClO_4^-
Acta Crystallographica Section B, 2005, 61, 407-417
2100161 CIF
Paper
C18 H42 N8 O10P 1 21/c 113.825; 5.0531; 18.804
90; 102.9; 90
1280.5Vijayan, M
X-ray studies on crystalline complexes involving amino acids and peptides. XLII. Adipic acid complexes of <small>L</small>- and <small>DL</small>-arginine and supramolecular association in arginine‒dicarboxylic acid complexes
Acta Crystallographica Section B, 2005, 61, 89-95
2100162 CIF
Paper
C18 H38 N8 O8P 1 21 112.494; 5.951; 16.719
90; 105.977; 90
1195.1Vijayan, M
X-ray studies on crystalline complexes involving amino acids and peptides. XLII. Adipic acid complexes of <small>L</small>- and <small>DL</small>-arginine and supramolecular association in arginine‒dicarboxylic acid complexes
Acta Crystallographica Section B, 2005, 61, 89-95
2100163 CIF
Paper
C3 H4 N2 O2C 1 2/c 19.3538; 12.1757; 7.2286
90; 104.593; 90
796.7Day, G. M.; Motherwell, W. D. S.; Ammon, H. L.; Boerrigter, S. X. M.; Della Valle, R. G.; Venuti, E.; Dzyabchenko, A.; Dunitz, J. D.; Schweizer, B.; van Eijck, B. P.; Erk, P.; Facelli, J. C.; Bazterra, V. E.; Ferraro, M. B.; Hofmann, D. W. M.; Leusen, F. J. J.; Liang, C.; Pantelides, C. C.; Karamertzanis, P. G.; Price, S. L.; Lewis, T. C.; Nowell, H.; Torrisi, A.; Scheraga, H. A.; Arnautova, Y. A.; Schmidt, M. U.; Verwer, P.
A third blind test of crystal structure prediction
Acta Crystallographica Section B, 2005, 61, 511-527
2100164 CIF
Paper
C22 H8 I2 O2P 1 21/c 14.202; 20.956; 9.276
90; 100.63; 90
802.8Day, G. M.; Motherwell, W. D. S.; Ammon, H. L.; Boerrigter, S. X. M.; Della Valle, R. G.; Venuti, E.; Dzyabchenko, A.; Dunitz, J. D.; Schweizer, B.; van Eijck, B. P.; Erk, P.; Facelli, J. C.; Bazterra, V. E.; Ferraro, M. B.; Hofmann, D. W. M.; Leusen, F. J. J.; Liang, C.; Pantelides, C. C.; Karamertzanis, P. G.; Price, S. L.; Lewis, T. C.; Nowell, H.; Torrisi, A.; Scheraga, H. A.; Arnautova, Y. A.; Schmidt, M. U.; Verwer, P.
A third blind test of crystal structure prediction
Acta Crystallographica Section B, 2005, 61, 511-527
2100165 CIF
Paper
C9 H9 N3 O5P 1 21/n 112.5693; 4.8531; 17.2663
90; 99.1624; 90
1039.81Day, G. M.; Motherwell, W. D. S.; Ammon, H. L.; Boerrigter, S. X. M.; Della Valle, R. G.; Venuti, E.; Dzyabchenko, A.; Dunitz, J. D.; Schweizer, B.; van Eijck, B. P.; Erk, P.; Facelli, J. C.; Bazterra, V. E.; Ferraro, M. B.; Hofmann, D. W. M.; Leusen, F. J. J.; Liang, C.; Pantelides, C. C.; Karamertzanis, P. G.; Price, S. L.; Lewis, T. C.; Nowell, H.; Torrisi, A.; Scheraga, H. A.; Arnautova, Y. A.; Schmidt, M. U.; Verwer, P.
A third blind test of crystal structure prediction
Acta Crystallographica Section B, 2005, 61, 511-527
2100166 CIF
Paper
C3 H7 NP 1 21/c 19.507; 9.122; 9.79
90; 117.469; 90
753.3Day, G. M.; Motherwell, W. D. S.; Ammon, H. L.; Boerrigter, S. X. M.; Della Valle, R. G.; Venuti, E.; Dzyabchenko, A.; Dunitz, J. D.; Schweizer, B.; van Eijck, B. P.; Erk, P.; Facelli, J. C.; Bazterra, V. E.; Ferraro, M. B.; Hofmann, D. W. M.; Leusen, F. J. J.; Liang, C.; Pantelides, C. C.; Karamertzanis, P. G.; Price, S. L.; Lewis, T. C.; Nowell, H.; Torrisi, A.; Scheraga, H. A.; Arnautova, Y. A.; Schmidt, M. U.; Verwer, P.
A third blind test of crystal structure prediction
Acta Crystallographica Section B, 2005, 61, 511-527
2100183 CIF
Paper
C12 H22 O11P 17.65217; 19.8637; 4.98773
92.0279; 106.261; 97.1529
720.18Platteau, Cyril; Lefebvre, Jacques; Affouard, Frederic; Willart, Jean-François; Derollez, Patrick; Mallet, Franck
Structure determination of the stable anhydrous phase of α-lactose from X-ray powder diffraction
Acta Crystallographica Section B, 2005, 61, 185-191
2100184 CIF
HKL
Paper
Bi2 Cu3.26 I2.62 S3.38C 1 2/m 128.056; 4.1048; 10.58
90; 110.572; 90
1140.7Tonci Balic-Zunic; Konstantin Mariolacos; Emil Makovicky
Structure of a synthetic halogen sulfosalt, Cu~3~Bi~2~S~3~I~3~
Acta Crystallographica Section B, 2005, 61, 239-245
2100185 CIF
Paper
C144 H144 N24 O36P 1 21/n 110.6907; 47.1248; 6.80017
90; 94.1849; 90
3416.77Platteau, Cyril; Lefebvre, Jacques; Hemon, Stephanie; Baehtz, Carsten; Danede, Florence; Prevost, Dominique
Structure determination of forms I and II of phenobarbital from X-ray powder diffraction
Acta Crystallographica Section B, 2005, 61, 80-88
2100186 CIF
Paper
C144 H144 N24 O36P -110.7313; 23.5112; 6.78309
90.9687; 94.4757; 88.1533
1705.13Platteau, Cyril; Lefebvre, Jacques; Hemon, Stephanie; Baehtz, Carsten; Danede, Florence; Prevost, Dominique
Structure determination of forms I and II of phenobarbital from X-ray powder diffraction
Acta Crystallographica Section B, 2005, 61, 80-88
2100187 CIF
Paper
C Ca O3P m c n4.96183; 7.96914; 5.742852
90; 90; 90
227.081Caspi, El'ad N.; Pokroy, Boaz; Lee, Peter L.; Quintana, John P.; Zolotoyabko, Emil
On the structure of aragonite
Acta Crystallographica Section B, 2005, 61, 129-132
2100188 CIF
Paper
O2 SiP 32 2 14.91427; 4.91427; 5.4058
90; 90; 120
113.06Caspi, El'ad N.; Pokroy, Boaz; Lee, Peter L.; Quintana, John P.; Zolotoyabko, Emil
On the structure of aragonite
Acta Crystallographica Section B, 2005, 61, 129-132
2100189 CIF
Paper
C Ca O3R -3 c :H4.987; 4.987; 17.058
90; 90; 120
367.4Caspi, El'ad N.; Pokroy, Boaz; Lee, Peter L.; Quintana, John P.; Zolotoyabko, Emil
On the structure of aragonite
Acta Crystallographica Section B, 2005, 61, 129-132
2100190 CIF
Paper
C12 D18P -16.1803; 6.1898; 6.1993
90.041; 90.129; 90.239
237.15Stride, J.A.
Determination of the low-temperature structure of hexamethylbenzene
Acta Crystallographica Section B, 2005, 61, 200-206
2100191 CIF
Paper
C12 D18P -16.1934; 6.2008; 6.2102
90.012; 90.116; 90.266
238.49Stride, J.A.
Determination of the low-temperature structure of hexamethylbenzene
Acta Crystallographica Section B, 2005, 61, 200-206
2100192 CIF
Paper
C12 D18P -16.2055; 6.212; 6.2214
90; 90.06; 90.195
239.82Stride, J.A.
Determination of the low-temperature structure of hexamethylbenzene
Acta Crystallographica Section B, 2005, 61, 200-206
2100193 CIF
Paper
C12 D18P -16.211; 6.219; 6.2257
90; 90.02; 90.17
240.47Stride, J.A.
Determination of the low-temperature structure of hexamethylbenzene
Acta Crystallographica Section B, 2005, 61, 200-206
2100194 CIF
Paper
C12 D18P -16.2157; 6.2221; 6.2284
90; 90.02; 90.139
240.88Stride, J.A.
Determination of the low-temperature structure of hexamethylbenzene
Acta Crystallographica Section B, 2005, 61, 200-206
2100195 CIF
Paper
C12 D18P -16.2183; 6.222; 6.2281
90.01; 90.03; 90.12
240.97Stride, J.A.
Determination of the low-temperature structure of hexamethylbenzene
Acta Crystallographica Section B, 2005, 61, 200-206
2100196 CIF
Paper
C12 D18P -15.236; 6.1845; 7.952
103.816; 98.46; 100.057
241.36Stride, J.A.
Determination of the low-temperature structure of hexamethylbenzene
Acta Crystallographica Section B, 2005, 61, 200-206
2100197 CIFC4 H6 O2P 1 21/a 110.1282; 10.2303; 8.31325
90; 93.2908; 90
859.95Papoular, Robert J; Allouchi, Hassan; Chagnes, Alexandre; Dzyabchenko, Alexander V; Carre, Bernard; Lemordant, Daniel; Agafonov, Viatcheslav
X-Ray powder diffraction structure determination of γ-butyrolactone at 180 K. Phase problem solution from the lattice energy minimization with two independent molecules.
Acta Crystallographica, Section B, 2005, 61
2100198 CIFC21 H22 N2 O2P 21 21 2111.309; 11.785; 12.002
90; 90; 90
1599.65Messerschmidt, Marc; Scheins, Stephan; Luger, Peter
Charge density of (–)-strychnine from 100 to 15 K, a comparison of four data sets
Acta Crystallographica, Section B: Structural Science, 2005, 61, 115-121
2100199 CIF
Paper
C21 H22 N2 O2P 21 21 2111.326; 11.765; 11.994
90; 90; 90
1598.2Messerschmidt, Marc; Scheins, Stephan; Luger, Peter
Charge density of (‒)-strychnine from 100 to 15 K, a comparison of four data sets
Acta Crystallographica, Section B: Structural Science, 2005, 61, 115-121
2100200 CIFC21 H22 N2 O2P 21 21 2111.309; 11.785; 12.002
90; 90; 90
1599.65Messerschmidt, Marc; Scheins, Stephan; Luger, Peter
Charge density of (–)-strychnine from 100 to 15 K, a comparison of four data sets
Acta Crystallographica, Section B: Structural Science, 2005, 61, 115-121
2100201 CIF
Paper
C21 H22 N2 O2P 21 21 2111.326; 11.765; 11.994
90; 90; 90
1598.2Messerschmidt, Marc; Scheins, Stephan; Luger, Peter
Charge density of (‒)-strychnine from 100 to 15 K, a comparison of four data sets
Acta Crystallographica, Section B: Structural Science, 2005, 61, 115-121
2100202 CIF
Paper
C8 H10 N4 O2R 3 c :H14.9372; 14.9372; 6.898
90; 90; 120
1332.88Derollez, Patrick; Correia, Natália T.; Danède, Florence; Capet, Frédéric; Affouard, Frédéric; Lefebvre, Jacques; Descamps, Marc
<i>Ab initio</i> structure determination of the high-temperature phase of anhydrous caffeine by X-ray powder diffraction
Acta Crystallographica Section B, 2005, 61, 329-334
2100203 CIF
Paper
C17 H21 N O4P 21 21 217.431; 13.769; 14.944
90; 90; 90
1529Scheins, Stephan; Messerschmidt, Marc; Luger, Peter
Submolecular partitioning of morphine hydrate based on its experimental charge density at 25K
Acta Crystallographica Section B, 2005, 61, 443-448
2100204 CIF
Paper
C12 H22 O11P 17.6258; 19.6559; 5.0613
95.646; 105.43; 80.996
721.01Lefebvre, Jacques; Willart, J.-F.; Caron, V.; Lefort, R.; Affouard, F.; Danède, F.
Structure determination of the 1/1 α/β mixed lactose by X-ray powder diffraction
Acta Crystallographica Section B, 2005, 61, 455-463
2100205 CIFB4 Fe3 Gd O12P 31 2 19.5305; 9.5305; 7.5479
90; 90; 120
593.73Klimin, S. A.; Fausti, D.; Meetsma, A.; Bezmaternykh, L. N.; van Loosdrecht, P. H. M.; Palstra, T. T. M.
Evidence for differentiation in the iron-helicoidal chain in GdFe3(BO3)4
Acta Crystallographica, Section B: Structural Science, 2005, 61, 481-485
2100206 CIFB4 Fe3 Gd O12R 3 2 :H9.5203; 9.5203; 7.5439
90; 90; 120
592.15Klimin, S. A.; Fausti, D.; Meetsma, A.; Bezmaternykh, L. N.; van Loosdrecht, P. H. M.; Palstra, T. T. M.
Evidence for differentiation in the iron-helicoidal chain in GdFe3(BO3)4
Acta Crystallographica, Section B: Structural Science, 2005, 61, 481-485
2100207 CIF
Paper
C50 H77 Cl O55.25C 1 2 118.998; 24.82; 16.662
90; 105.29; 90
7579Tsorteki, Frantzeska; Bethanis, Kostas; Pinotsis, Nikos; Giastas, Petros; Mentzafos, Dimitris
Inclusion compounds of plant growth regulators in cyclodextrins. V. 4-Chlorophenoxyacetic acid encapsulated in β-cyclodextrin and heptakis(2,3,6-tri-<i>O</i>-methyl)-β-cyclodextrin
Acta Crystallographica Section B, 2005, 61, 207-217
2100208 CIF
Paper
C141.5 H238 Cl2 O80P 1 21 110.926; 25.284; 29.954
90; 92.86; 90
8265Tsorteki, Frantzeska; Bethanis, Kostas; Pinotsis, Nikos; Giastas, Petros; Mentzafos, Dimitris
Inclusion compounds of plant growth regulators in cyclodextrins. V. 4-Chlorophenoxyacetic acid encapsulated in β-cyclodextrin and heptakis(2,3,6-tri-<i>O</i>-methyl)-β-cyclodextrin
Acta Crystallographica Section B, 2005, 61, 207-217
2100209 CIF?R -3 m :H4.27125; 4.27125; 63.8957
90; 90; 120
1009.51Kifune, Kouichi; Kubota, Yoshiki; Matsunaga, Toshiyuki; Yamada, Noboru
Extremely long period stacking structure in the Sb-Te binary system
Acta Crystallographica, Section B: Structural Science, 2005, 61, 492-497
2100210 CIF?R -3 m :H4.28168; 4.28168; 108.7017
90; 90; 120
1725.82Kifune, Kouichi; Kubota, Yoshiki; Matsunaga, Toshiyuki; Yamada, Noboru
Extremely long period stacking structure in the Sb-Te binary system
Acta Crystallographica, Section B: Structural Science, 2005, 61, 492-497
2100211 CIF
Paper
Ba0.0504 Bi0.2661 O1.8165 Ti0.6835?P?10.6914; 3.7963; 3.3457
90; 92.625; 90
135.652Michiue, Yuichi; Yamamoto, Akiji; Onoda, Mitsuko; Sato, Akira; Akashi, Takaya; Yamane, Hisanori
Incommensurate crystallographic shear structure of Ba~<i>x~</i>Bi~2{-~2<i>x</i>}Ti~4{-~<i>x</i>}O~11{-~4<i>x</i>} (<i>x</i> = 0.275)
Acta Crystallographica Section B, 2005, 61, 145-153
2100212 CIF
Paper
C24 H38 O5P 21 21 218.9879; 9.4028; 26.4369
90; 90; 90
2234.22Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga
Hydrogen-bonded aggregations of oxo-cholic acids
Acta Crystallographica Section B, 2005, 61, 346-356
2100213 CIF
Paper
C24 H38 O5P 21 21 216.3122; 10.8884; 32.0624
90; 90; 90
2203.64Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga
Hydrogen-bonded aggregations of oxo-cholic acids
Acta Crystallographica Section B, 2005, 61, 346-356
2100214 CIF
Paper
C24 H36 O5P 1 21 110.2677; 7.1108; 15.227
90; 92.34; 90
1110.82Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga
Hydrogen-bonded aggregations of oxo-cholic acids
Acta Crystallographica Section B, 2005, 61, 346-356
2100215 CIF
Paper
C24 H36 O5P 21 21 218.4953; 12.706; 20.8011
90; 90; 90
2245.3Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga
Hydrogen-bonded aggregations of oxo-cholic acids
Acta Crystallographica Section B, 2005, 61, 346-356
2100216 CIF
Paper
C24 H37 O5.5C 1 2 126.6049; 7.7044; 22.9126
90; 93.424; 90
4688.12Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga
Hydrogen-bonded aggregations of oxo-cholic acids
Acta Crystallographica Section B, 2005, 61, 346-356
2100217 CIF
Paper
C24 H34 O5P 1 21 112.0863; 6.8301; 13.1153
90; 101.138; 90
1062.28Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga
Hydrogen-bonded aggregations of oxo-cholic acids
Acta Crystallographica Section B, 2005, 61, 346-356
2100218 CIF
Paper
C4 H9 Cd N7 Ni O0?P?8.4867; 15.951; 7.604
90; 90.48; 90
1029.3Petříček, Václav; Dušek, Michal; Černák, Juraj
Modulated one-dimensional structure of [Cd(NH~3~)~3~Ni(CN)~4~]
Acta Crystallographica Section B, 2005, 61, 280-286
2100219 CIF
Paper
C2 H3 K N8 O2P -17.031; 11.4089; 4.6788
93.158; 106.749; 83.473
356.964Leonid A. Solovyov; Alexander M. Astachov; Maxim S. Molokeev; Alexander D. Vasiliev
Powder diffraction crystal structure analysis using derivative difference minimization: example of the potassium salt of 1-(tetrazol-5-yl)-2-nitroguanidine
Acta Crystallographica Section B, 2005, 61, 435-442
2100220 CIF
Paper
K5 Mo4 O16 Yb?P?10.4054; 6.1157; 19.7751
90; 136.625; 90
864.2Alla Arakcheeva; Gervais Chapuis; Vaclav Petricek; Vladimir Morozov
The role of second coordination-sphere interactions in incommensurately modulated structures, using β-K~5~Yb(MoO~4~)~4~ as an example
Acta Crystallographica Section B, 2005, 61, 400-406
2100221 CIFC2 H2 N4 O3P -15.1233; 10.314; 17.998
106.61; 97.81; 90.13
902.1Bolotina, Nadezhda B.; Kirschbaum, Kristin; Pinkerton, A.Alan
Acta Crystallographica, Section B, 2005, 61, 577-584
2100222 CIF
Paper
C20 H24 O7C 1 2/c 115.3519; 10.4044; 11.8506
90; 109.607; 90
1783.11Edwards, David J.; Pritchard, Robin G.; Wallace, Timothy W.
Fine-tuning of biaryl dihedral angles: structural characterization of five homologous three-atom bridged biphenyls by X-ray crystallography
Acta Crystallographica Section B, 2005, 61, 335-345
2100223 CIF
Paper
C21 H29 Cl N O6.5C 1 2/c 136.0403; 7.8165; 17.0066
90; 111.792; 90
4448.5Edwards, David J.; Pritchard, Robin G.; Wallace, Timothy W.
Fine-tuning of biaryl dihedral angles: structural characterization of five homologous three-atom bridged biphenyls by X-ray crystallography
Acta Crystallographica Section B, 2005, 61, 335-345
2100224 CIF
Paper
C20 H24 O6 SC 1 2/c 18.6029; 12.2965; 17.6032
90; 104.038; 90
1806.55Edwards, David J.; Pritchard, Robin G.; Wallace, Timothy W.
Fine-tuning of biaryl dihedral angles: structural characterization of five homologous three-atom bridged biphenyls by X-ray crystallography
Acta Crystallographica Section B, 2005, 61, 335-345
2100225 CIF
Paper
C20 H24 O7 SC 1 2/c 18.8113; 12.2699; 17.564
90; 103.988; 90
1842.6Edwards, David J.; Pritchard, Robin G.; Wallace, Timothy W.
Fine-tuning of biaryl dihedral angles: structural characterization of five homologous three-atom bridged biphenyls by X-ray crystallography
Acta Crystallographica Section B, 2005, 61, 335-345
2100226 CIF
Paper
C20 H24 O8 SP 1 21/n 18.7886; 15.3454; 15.4972
90; 106.277; 90
2006.25Edwards, David J.; Pritchard, Robin G.; Wallace, Timothy W.
Fine-tuning of biaryl dihedral angles: structural characterization of five homologous three-atom bridged biphenyls by X-ray crystallography
Acta Crystallographica Section B, 2005, 61, 335-345
2100227 CIF
Paper
Li2 O2P 63/m m c3.183; 3.183; 7.7258
90; 90; 120
67.787Luis Guillermo Cota; Pablo de la Mora
On the structure of lithium peroxide, Li~2~O~2~
Acta Crystallographica Section B, 2005, 61, 133-136
2100228 CIF
HKL
Paper
C10 H10 N2 O2P 1 21/c 18.901; 7.666; 6.984
90; 90.091; 90
476.6Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon
Formation of quinol co-crystals with hydrogen-bond acceptors
Acta Crystallographica Section B, 2005, 61, 46-57
2100229 CIF
HKL
Paper
C10 H16 N2 O2P -15.706; 6.7599; 7.0771
100.269; 112.446; 90.163
247.5Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon
Formation of quinol co-crystals with hydrogen-bond acceptors
Acta Crystallographica Section B, 2005, 61, 46-57
2100230 CIF
HKL
Paper
C14 H28 N2 O4P 1 21/n 16.6652; 5.5881; 20.034
90; 94.942; 90
743.4Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon
Formation of quinol co-crystals with hydrogen-bond acceptors
Acta Crystallographica Section B, 2005, 61, 46-57
2100231 CIF
Paper
C16 H16 N2 O2P 1 21/c 16.499; 16.459; 7.1794
90; 112.986; 90
706.98Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon
Formation of quinol co-crystals with hydrogen-bond acceptors
Acta Crystallographica Section B, 2005, 61, 46-57
2100232 CIF
Paper
C16 H28 N2 O2P 1 21/c 110.423; 5.2619; 15.221
90; 109.92; 90
784.85Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon
Formation of quinol co-crystals with hydrogen-bond acceptors
Acta Crystallographica Section B, 2005, 61, 46-57
2100233 CIF
HKL
Paper
C26 H22 N4 O2P -17.82; 8.619; 9.201
111.897; 109.851; 94.657
525.6Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon
Formation of quinol co-crystals with hydrogen-bond acceptors
Acta Crystallographica Section B, 2005, 61, 46-57
2100234 CIF
Paper
C16 H28 N2 O4P -16.9612; 7.3146; 9.659
106.182; 104.481; 106.201
423.96Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon
Formation of quinol co-crystals with hydrogen-bond acceptors
Acta Crystallographica Section B, 2005, 61, 46-57
2100235 CIF
HKL
Paper
C12 H20 N2 O2P -18.962; 9.4944; 14.7119
90.501; 92.919; 99.664
1232.26Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon
Formation of quinol co-crystals with hydrogen-bond acceptors
Acta Crystallographica Section B, 2005, 61, 46-57
2100236 CIF
Paper
C17 H13 N3 O2P 21 21 2123.97; 10.609; 5.457
90; 90; 90
1387.7Ryabova, Svetlana Yu.; Rastorgueva, Nina A.; Sonneveld, Eduard J.; Peschar, Rene; Schenk, Henk; Tafeenko, Viktor A.; Aslanov, Leonid A.; Chernyshev, Vladimir V.
Structural characterization of [1,4]diazepino[6,5-<i>b</i>]indoles by powder diffraction
Acta Crystallographica Section B, 2005, 61, 192-199
2100237 CIF
HKL
Paper
C3 H7 N O3P 21 21 218.5213; 9.172; 5.5847
90; 90; 90
436.49Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay
Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa
Acta Crystallographica Section B, 2005, 61, 58-68
2100238 CIF
HKL
Paper
C3 H7 N O3P 21 21 218.4365; 8.9506; 5.5512
90; 90; 90
419.18Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay
Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa
Acta Crystallographica Section B, 2005, 61, 58-68
2100239 CIF
HKL
Paper
C3 H7 N O3P 21 21 218.3702; 8.7699; 5.5103
90; 90; 90
404.49Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay
Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa
Acta Crystallographica Section B, 2005, 61, 58-68
2100240 CIF
HKL
Paper
C3 H7 N O3P 21 21 218.3266; 8.665; 5.4851
90; 90; 90
395.75Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay
Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa
Acta Crystallographica Section B, 2005, 61, 58-68
2100241 CIF
Paper
C3 H7 N O3P 21 21 218.298; 8.6; 5.4663
90; 90; 90
390.09Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay
Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa
Acta Crystallographica Section B, 2005, 61, 58-68
2100242 CIF
Paper
C3 H7 N O3P 21 21 216.9083; 9.644; 5.6166
90; 90; 90
374.2Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay
Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa
Acta Crystallographica Section B, 2005, 61, 58-68
2100243 CIF
Paper
Mn O4 ReP 1 2/c 14.8022; 5.6318; 5.0803
90; 92.762; 90
137.24Bramnik, Kirill G.; Ehrenberg, Helmut; Buhre, Stephan; Fuess, Hartmut
Preparation, crystal structure and magnetic properties of the high-pressure phase MnReO~4~ with a wolframite-type structure
Acta Crystallographica Section B, 2005, 61, 246-249
2100244 CIF
Paper
Ca Cu Ge2 O6P 1 21/c 110.1798; 9.1869; 5.1978
90; 105.614; 90
468.16Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100245 CIF
Paper
Ca Cu Ge2 O6P 1 21/c 110.1822; 9.1912; 5.1995
90; 105.636; 90
468.6Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100246 CIF
Paper
Ca Cu Ge2 O6P 1 21/c 110.1853; 9.1959; 5.2013
90; 105.649; 90
469.11Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100247 CIF
Paper
Ca Cu Ge2 O6P 1 21/c 110.1893; 9.1996; 5.2043
90; 105.669; 90
469.71Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100248 CIF
Paper
Ca Cu Ge2 O6P 1 21/c 110.193; 9.2039; 5.2078
90; 105.688; 90
470.37Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100249 CIF
Paper
Ca Cu Ge2 O6P 1 21/c 110.1944; 9.2078; 5.2103
90; 105.699; 90
470.84Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100250 CIF
Paper
Ca Cu Ge2 O6P 1 21/c 110.1957; 9.2123; 5.2142
90; 105.702; 90
471.47Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100251 CIF
Paper
Ca Cu Ge2 O6P 1 21/c 110.2047; 9.2255; 5.2249
90; 105.785; 90
473.34Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100252 CIF
Paper
Ca Cu Ge2 O6P 1 21/c 110.213; 9.2385; 5.2359
90; 105.87; 90
475.19Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100253 CIF
Paper
Ca Cu Ge2 O6P 1 21/c 110.215; 9.2455; 5.2407
90; 105.928; 90
475.94Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100254 CIF
Paper
Ca Cu Ge2 O6P 1 21/c 110.2165; 9.2483; 5.2429
90; 105.942; 90
476.32Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100255 CIF
Paper
Ca Cu Ge2 O6P 1 21/c 110.217; 9.2515; 5.2446
90; 105.964; 90
476.62Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100256 CIF
Paper
Ca Cu Ge2 O6P 1 21/c 110.218; 9.2536; 5.2468
90; 105.975; 90
476.94Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100257 CIF
Paper
Ca Cu Ge2 O6C 1 2/c 110.2453; 9.2118; 5.4115
90; 106.931; 90
488.59Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100258 CIF
Paper
Ca Cu Ge2 O6C 1 2/c 110.2405; 9.178; 5.4003
90; 107.072; 90
485.19Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100259 CIF
Paper
Ca Cu Ge2 O6C 1 2/c 110.243; 9.1821; 5.4015
90; 107.074; 90
485.63Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100260 CIF
Paper
Ca Cu Ge2 O6C 1 2/c 110.2448; 9.1898; 5.4023
90; 107.09; 90
486.16Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100261 CIF
Paper
C18 H17 N O4P 1 21/c 18.5153; 16.0591; 12.1476
90; 96.801; 90
1649.5Skakle, Janet M. S.; Low, John N.; Wardell, James L.; Glidewell, Christopher
Concomitant polymorphism and a temperature-dependent phase change in (<i>E</i>)-[1-(4-methoxyphenyl)-3-phenyl-2-propenylideneamino]oxyacetic acid
Acta Crystallographica Section B, 2005, 61, 321-328
2100262 CIF
Paper
C18 H17 N O4P 1 21/c 16.4499; 14.9693; 16.6559
90; 92.947; 90
1606.01Skakle, Janet M. S.; Low, John N.; Wardell, James L.; Glidewell, Christopher
Concomitant polymorphism and a temperature-dependent phase change in (<i>E</i>)-[1-(4-methoxyphenyl)-3-phenyl-2-propenylideneamino]oxyacetic acid
Acta Crystallographica Section B, 2005, 61, 321-328
2100263 CIF
Paper
C18 H17 N O4P 1 21/c 16.4238; 15.1513; 17.0552
90; 93.167; 90
1657.43Skakle, Janet M. S.; Low, John N.; Wardell, James L.; Glidewell, Christopher
Concomitant polymorphism and a temperature-dependent phase change in (<i>E</i>)-[1-(4-methoxyphenyl)-3-phenyl-2-propenylideneamino]oxyacetic acid
Acta Crystallographica Section B, 2005, 61, 321-328
2100264 CIF
Paper
C18 H17 N O4P 1 21/n 112.1552; 15.8657; 16.6708
90; 97.425; 90
3188.02Skakle, Janet M. S.; Low, John N.; Wardell, James L.; Glidewell, Christopher
Concomitant polymorphism and a temperature-dependent phase change in (<i>E</i>)-[1-(4-methoxyphenyl)-3-phenyl-2-propenylideneamino]oxyacetic acid
Acta Crystallographica Section B, 2005, 61, 321-328
2100265 CIF
Paper
Nb O6 Sr2 YP 1 21/n 15.81174; 5.86444; 8.24541
90; 90.166; 90
281.024Howard, Christopher J.; Barnes, Paris W.; Kennedy, Brendan J.; Woodward, Patrick M.
Structures of the ordered double perovskites Sr~2~YTaO~6~ and Sr~2~YNbO~6~
Acta Crystallographica Section B, 2005, 61, 258-262
2100266 CIF
Paper
O6 Sr2 Ta YP 1 21/n 15.81216; 5.85937; 8.24479
90; 90.1479; 90
280.78Howard, Christopher J.; Barnes, Paris W.; Kennedy, Brendan J.; Woodward, Patrick M.
Structures of the ordered double perovskites Sr~2~YTaO~6~ and Sr~2~YNbO~6~
Acta Crystallographica Section B, 2005, 61, 258-262
2100267 CIF
Paper
C4 H8 OA b a 29.3789; 13.658; 13.661
90; 90; 90
1749.9Dave Allan, D
The low-temperature and high-pressure crystal structures of cyclobutanol (C~4~H~7~OH)
Acta Crystallographica Section B, 2005, 61, 449-454
2100268 CIF
Paper
C4 H8 OA b a 29.3312; 13.642; 13.619
90; 90; 90
1733.6Dave Allan, D
The low-temperature and high-pressure crystal structures of cyclobutanol (C~4~H~7~OH)
Acta Crystallographica Section B, 2005, 61, 449-454
2100269 CIF
Paper
C4 H8 OP n a 214.9208; 8.2302; 9.598
90; 90; 90
388.71Dave Allan, D
The low-temperature and high-pressure crystal structures of cyclobutanol (C~4~H~7~OH)
Acta Crystallographica Section B, 2005, 61, 449-454
2100270 CIF
HKL
Paper
C4 H8 N2 O5P 1 21/n 16.097; 12.7152; 8.8587
90; 94.051; 90
685.05Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100271 CIF
Paper
C4 H8 N2 O5P 1 21/n 16.113; 12.7149; 8.8564
90; 93.437; 90
687.14Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100272 CIF
Paper
C4 H8 N2 O5P 1 21/n 16.127; 12.7253; 8.8633
90; 93.068; 90
690.06Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100273 CIF
Paper
C4 H8 N2 O5P 1 21/n 16.1377; 12.7306; 8.8641
90; 92.528; 90
691.94Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100274 CIF
Paper
C4 H8 N2 O5P 1 21/n 16.1313; 12.703; 8.8456
90; 92.187; 90
688.4Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100275 CIF
Paper
C4 H8 N2 O5P 1 21/n 16.1538; 12.747; 8.877
90; 91.627; 90
696.1Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100276 CIF
Paper
C4 H8 N2 O5P 1 21/n 16.158; 12.7515; 8.8763
90; 91.263; 90
696.83Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100277 CIF
Paper
C4 H8 N2 O5P 1 21/n 16.1567; 12.733; 8.865
90; 91.18; 90
694.8Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100278 CIF
HKL
Paper
C4 H8 N2 O5P m n b6.177; 12.785; 8.898
90; 90; 90
702.7Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100279 CIF
HKL
Paper
C4 H8 N2 O5P m n b6.1626; 12.757; 8.876
90; 90; 90
697.8Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100280 CIF
HKL
Paper
C4 H8 N2 O5P m n b6.1624; 12.757; 8.878
90; 90; 90
697.9Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100281 CIF
HKL
Paper
C4 H8 N2 O5P m n b6.1665; 12.763; 8.8814
90; 90; 90
699Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100282 CIF
HKL
Paper
C4 H8 N2 O5P m n b6.1739; 12.7594; 8.8831
90; 90; 90
699.77Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100283 CIF
HKL
Paper
C4 H8 N2 O5P m n b6.2144; 12.7512; 8.8841
90; 90; 90
703.99Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100284 CIF
Paper
C21 H27 N5 O4 SP -19.1487; 24.2873; 5.1794
93.118; 101.154; 83.479
1121.18Burley, Jonathan C.
Structure and intermolecular interactions of glipizide from laboratory X-ray powder diffraction
Acta Crystallographica Section B, 2005, 61, 710-716
2100287 CIF
Paper
C25 H33 N9 O8P -17.69; 9.6995; 20.1404
80.522; 86.792; 72.33
1411.81Ferretti, Valeria; Pretto, Loretta; Tabrizi, Mojgan Aghazadeh; Bertolasi, Valerio
A structural study of new potent and selective antagonists to the A~2B~ adenosine receptor
Acta Crystallographica Section B, 2005, 61, 569-576
2100292 CIF
HKL
Paper
C10 H24 Cu N2 O13P 1 21/n 114.772; 13.987; 43.344
90; 97.33; 90
8882Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures
Acta Crystallographica Section B, 2005, 61, 675-688
2100293 CIF
HKL
Paper
C10 H24 Cu N2 O13P 1 21/n 114.659; 14.029; 42.475
90; 96.85; 90
8673Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures
Acta Crystallographica Section B, 2005, 61, 675-688
2100294 CIF
HKL
Paper
C10 H24 N2 O13 ZnP 1 21/c 114.721; 14.077; 26.111
90; 96.83; 90
5372.5Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures
Acta Crystallographica Section B, 2005, 61, 675-688
2100295 CIF
HKL
Paper
C10 H24 N2 O13 ZnP 1 21/c 114.633; 14.034; 25.561
90; 96.48; 90
5215.7Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures
Acta Crystallographica Section B, 2005, 61, 675-688
2100296 CIF
HKL
Paper
C10 H24 Mg N2 O13P 1 21/c 114.601; 14.182; 26.241
90; 96.77; 90
5395.9Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures
Acta Crystallographica Section B, 2005, 61, 675-688
2100297 CIF
HKL
Paper
C10 H24 Mg N2 O13P 1 21/c 114.497; 14.181; 25.7
90; 96.46; 90
5249.9Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures
Acta Crystallographica Section B, 2005, 61, 675-688
2100298 CIF
HKL
Paper
C10 H24 Co N2 O13P 4111.425; 11.425; 27.248
90; 90; 90
3556.7Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures
Acta Crystallographica Section B, 2005, 61, 675-688
2100299 CIF
HKL
Paper
C10 H24 Co N2 O13P 4111.306; 11.306; 27.041
90; 90; 90
3456.5Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures
Acta Crystallographica Section B, 2005, 61, 675-688
2100300 CIF
Paper
C6 Cd3 O12 P2P 1 21 18.7743; 9.4828; 9.167
90; 113.609; 90
698.9Bestaoui, Naima; Ouyang, Xiang; Fredoueil, Florence; Bujoli, Bruno; Clearfield, Abraham
Structural characterization of Cd~3~(O~3~PC~2~H~4~CO~2~)~2~·2H~2~O from in-house X-ray powder data and NMR
Acta Crystallographica Section B, 2005, 61, 669-674
2100301 CIF
HKL
Paper
C7 H5 N O4P 1 21/c 19.7116; 11.1347; 6.4421
90; 108.595; 90
660.26Cowan, John. A.; Howard, Judith A. K.; McIntyre, Garry, J.; Lo, Samuel M.-F; Williams, Ian D.
Variable-temperature neutron diffraction studies of the short, strong hydrogen bonds in the crystal structure of pyridine-3,5-dicarboxylic acid
Acta Crystallographica Section B, 2005, 61, 724-730
2100302 CIF
HKL
Paper
C7 H5 N O4P 1 21/c 19.6986; 11.1571; 6.5891
90; 107.804; 90
678.85Cowan, John. A.; Howard, Judith A. K.; McIntyre, Garry, J.; Lo, Samuel M.-F; Williams, Ian D.
Variable-temperature neutron diffraction studies of the short, strong hydrogen bonds in the crystal structure of pyridine-3,5-dicarboxylic acid
Acta Crystallographica Section B, 2005, 61, 724-730
2100303 CIF
HKL
Paper
C7 H3 D2 N O4P 1 21/c 19.7196; 11.1396; 6.454
90; 108.754; 90
661.69Cowan, John. A.; Howard, Judith A. K.; McIntyre, Garry, J.; Lo, Samuel M.-F; Williams, Ian D.
Variable-temperature neutron diffraction studies of the short, strong hydrogen bonds in the crystal structure of pyridine-3,5-dicarboxylic acid
Acta Crystallographica Section B, 2005, 61, 724-730
2100304 CIF
HKL
Paper
C7 H3 D2 N O4P 1 21/c 19.7217; 11.1545; 6.5112
90; 108.397; 90
669.99Cowan, John. A.; Howard, Judith A. K.; McIntyre, Garry, J.; Lo, Samuel M.-F; Williams, Ian D.
Variable-temperature neutron diffraction studies of the short, strong hydrogen bonds in the crystal structure of pyridine-3,5-dicarboxylic acid
Acta Crystallographica Section B, 2005, 61, 724-730
2100305 CIF
HKL
Paper
C7 H3 D2 N O4P 1 21/c 19.7614; 11.2243; 6.643
90; 108.304; 90
691Cowan, John. A.; Howard, Judith A. K.; McIntyre, Garry, J.; Lo, Samuel M.-F; Williams, Ian D.
Variable-temperature neutron diffraction studies of the short, strong hydrogen bonds in the crystal structure of pyridine-3,5-dicarboxylic acid
Acta Crystallographica Section B, 2005, 61, 724-730
2100306 CIF
Paper
C7 H10 N O5 PP 1 21/c 112.1405; 12.4273; 6.3851
90; 100.122; 90
948.35Bendeif, El-eulmi; Dahaoui, Slimane; François, Michel; Benali-Cherif, Nourredine; Lecomte, Claude
Isostructural phase transition in <i>m</i>-carboxyphenylammonium monohydrogenphosphite
Acta Crystallographica Section B, 2005, 61, 700-709
2100307 CIF
Paper
C7 H10 N O5 PP 1 21/c 113.036; 11.538; 6.6366
90; 104.73; 90
965.4Bendeif, El-eulmi; Dahaoui, Slimane; François, Michel; Benali-Cherif, Nourredine; Lecomte, Claude
Isostructural phase transition in <i>m</i>-carboxyphenylammonium monohydrogenphosphite
Acta Crystallographica Section B, 2005, 61, 700-709
2100328 CIF
Paper
Cl H4 Na9 O20 S4P 4/n :229.6829; 29.6829; 8.4018
90; 90; 90
7402.61Pritchard, Robin Gavin; Begum, Zubeda; Lau, Yuf Fai; Austin, Jonothan
Structures of Na~9~[SO~4~]~4~<i>X</i>·2H~2~O~2~, where <i>X</i> = Cl or Br, in which the halide anions orchestrate extended orientation sequences of H~2~O~2~ solvate molecules
Acta Crystallographica Section B, 2005, 61, 663-668
2100329 CIF
Paper
Br H4 Na9 O20 S4P 4/n :214.9126; 14.9126; 8.4052
90; 90; 90
1869.2Pritchard, Robin Gavin; Begum, Zubeda; Lau, Yuf Fai; Austin, Jonothan
Structures of Na~9~[SO~4~]~4~<i>X</i>·2H~2~O~2~, where <i>X</i> = Cl or Br, in which the halide anions orchestrate extended orientation sequences of H~2~O~2~ solvate molecules
Acta Crystallographica Section B, 2005, 61, 663-668
2100332 CIF
Paper
Al0.21 Ga1.93 K0.152 O7 Ti1.86I 4/m18.0971; 18.0971; 2.9916
90; 90; 90
979.8Michiue, Yuichi; Yoshikado, Shinzo
X-ray diffraction study for one-dimensional ionic conductors K~<i>x~</i>(Ga~1{-~<i>y</i>}Al~y~)~2+<i>x~</i>Ti~2{-~<i>x</i>}O~7~ (<i>x</i> ≃0.14, <i>y</i> ≃0.10, 0.23, 0.39)
Acta Crystallographica Section B, 2005, 61, 608-615
2100333 CIF
Paper
Al0.49 Ga1.65 K0.155 O7 Ti1.86I 4/m18.0606; 18.0606; 2.9839
90; 90; 90
973.3Michiue, Yuichi; Yoshikado, Shinzo
X-ray diffraction study for one-dimensional ionic conductors K~<i>x~</i>(Ga~1{-~<i>y</i>}Al~y~)~2+<i>x~</i>Ti~2{-~<i>x</i>}O~7~ (<i>x</i> ≃0.14, <i>y</i> ≃0.10, 0.23, 0.39)
Acta Crystallographica Section B, 2005, 61, 608-615
2100334 CIF
Paper
Al0.84 Ga1.3 K0.157 O7 Ti1.86I 4/m18.0088; 18.0088; 2.9759
90; 90; 90
965.1Michiue, Yuichi; Yoshikado, Shinzo
X-ray diffraction study for one-dimensional ionic conductors K~<i>x~</i>(Ga~1{-~<i>y</i>}Al~y~)~2+<i>x~</i>Ti~2{-~<i>x</i>}O~7~ (<i>x</i> ≃0.14, <i>y</i> ≃0.10, 0.23, 0.39)
Acta Crystallographica Section B, 2005, 61, 608-615
2100335 CIFO2 SiR -3 :H13.7761; 13.7761; 41.5456
90; 90; 120
6828.23Acta Crystallographica, Section B, 2005, 61, 627-634
2100339 CIF
Paper
C3 H7 NP b c a5.0741; 9.7594; 13.305
90; 90; 90
658.87Lozano-Casal, Patricia; Allan, David R.; Parsons, Simon
Pressure-induced polymorphism in cyclopropylamine
Acta Crystallographica Section B, 2005, 61, 717-723
2100340 CIF
HKL
Paper
C6 H14 O2C 1 2/c 116.36; 16.219; 10.942
90; 90.96; 90
2903Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
The unusual phases of anhydrous and hydrated pinacol
Acta Crystallographica Section B, 2005, 61, 689-699
2100341 CIF
HKL
Paper
C6 H14 O2C 1 2/c 116.333; 16.145; 10.916
90; 90.92; 90
2878.1Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
The unusual phases of anhydrous and hydrated pinacol
Acta Crystallographica Section B, 2005, 61, 689-699
2100342 CIF
HKL
Paper
C6 H16 O3P 1 2/n 110.582; 7.3637; 10.587
90; 92.13; 90
824.4Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
The unusual phases of anhydrous and hydrated pinacol
Acta Crystallographica Section B, 2005, 61, 689-699
2100343 CIF
HKL
Paper
C6 H26 O8P n n m6.308; 6.321; 15.759
90; 90; 90
628.4Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
The unusual phases of anhydrous and hydrated pinacol
Acta Crystallographica Section B, 2005, 61, 689-699
2100344 CIF
HKL
Paper
C6 H15 O2.5P 65 2 214.696; 14.696; 13.686
90; 90; 120
2559.8Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
The unusual phases of anhydrous and hydrated pinacol
Acta Crystallographica Section B, 2005, 61, 689-699
2105401 CIFB2 K Nb O6P b n 217.3056; 31.1632; 9.1659
90; 90; 90
2086.76Schmid, S.; Wagner, T.
Structure of K Nb O B2 O5 - a commensurately modulated structure
Acta Crystallographica B (39,1983-), 2005, 61, 361-366

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