Crystallography Open Database

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2105925 CIF
HKL
Paper
C6 H12 I2 Pd S3P 21 21 217.0427; 11.532; 12.22
90; 90; 90
992.5Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin
High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes
Acta Crystallographica Section B, 2014, 70, 469-486
2105926 CIF
HKL
Paper
C6 H12 I2 Pd S3P 21 21 216.9924; 11.391; 12.208
90; 90; 90
972.4Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin
High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes
Acta Crystallographica Section B, 2014, 70, 469-486
2105927 CIF
HKL
Paper
C6 H12 I2 Pd S3P 21 21 216.962; 11.299; 12.16
90; 90; 90
956.5Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin
High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes
Acta Crystallographica Section B, 2014, 70, 469-486
2105928 CIF
HKL
Paper
C6 H12 I2 Pt S3P 21 21 217.673; 12.4007; 12.975
90; 90; 90
1234.6Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin
High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes
Acta Crystallographica Section B, 2014, 70, 469-486
2105929 CIF
HKL
Paper
C6 H12 I2 Pt S3P 21 21 217.326; 11.87; 12.82
90; 90; 90
1114.8Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin
High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes
Acta Crystallographica Section B, 2014, 70, 469-486
2105930 CIF
HKL
Paper
C6 H12 I2 Pt S3P 21 21 217.3036; 11.7841; 12.567
90; 90; 90
1081.6Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin
High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes
Acta Crystallographica Section B, 2014, 70, 469-486
2105931 CIF
HKL
Paper
C6 H12 I2 Pt S3P 21 21 217.1189; 11.4718; 12.271
90; 90; 90
1002.1Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin
High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes
Acta Crystallographica Section B, 2014, 70, 469-486
2105932 CIF
HKL
Paper
C6 H12 I2 Pt S3P 21 21 217.1052; 11.4442; 12.207
90; 90; 90
992.6Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin
High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes
Acta Crystallographica Section B, 2014, 70, 469-486
2105933 CIF
HKL
Paper
C6 H12 I2 Pt S3P 21 21 217.0675; 11.3851; 12.215
90; 90; 90
982.9Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin
High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes
Acta Crystallographica Section B, 2014, 70, 469-486
2105934 CIF
HKL
Paper
C6 H12 I2 Pt S3P 21 21 217.0296; 11.3196; 12.2
90; 90; 90
970.8Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin
High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes
Acta Crystallographica Section B, 2014, 70, 469-486
2105935 CIF
HKL
Paper
C6 H12 I2 Pt S3P 21 21 217.1941; 11.5906; 12.362
90; 90; 90
1030.8Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin
High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes
Acta Crystallographica Section B, 2014, 70, 469-486
2105945 CIF
HKL
Paper
C30 H33 Cd2 Cl4 N3 O6P -19.8304; 13.7388; 14.8816
63.4935; 84.0016; 81.8575
1778.5Merkens, Carina; Truong, Khai-Nghi; Englert, Ulli
3-(4-Pyridyl)-acetylacetone ‒ a fully featured substituted pyridine and a flexible linker for complex materials
Acta Crystallographica Section B, 2014, 70, 705-713
2105946 CIF
HKL
Paper
C30 H33 Br4 Cd2 N3 O6P -17.1262; 15.519; 16.597
91.247; 97.889; 98.609
1796Merkens, Carina; Truong, Khai-Nghi; Englert, Ulli
3-(4-Pyridyl)-acetylacetone ‒ a fully featured substituted pyridine and a flexible linker for complex materials
Acta Crystallographica Section B, 2014, 70, 705-713
2105947 CIF
HKL
Paper
C10 H11 Cd I2 N O2P b c a7.1002; 14.349; 27.54
90; 90; 90
2805.8Merkens, Carina; Truong, Khai-Nghi; Englert, Ulli
3-(4-Pyridyl)-acetylacetone ‒ a fully featured substituted pyridine and a flexible linker for complex materials
Acta Crystallographica Section B, 2014, 70, 705-713
2105948 CIF
HKL
Paper
C20 H22 Cd I2 N2 O4P c a 2113.5307; 7.0913; 49.11
90; 90; 90
4712.1Merkens, Carina; Truong, Khai-Nghi; Englert, Ulli
3-(4-Pyridyl)-acetylacetone ‒ a fully featured substituted pyridine and a flexible linker for complex materials
Acta Crystallographica Section B, 2014, 70, 705-713
2105949 CIF
HKL
Paper
C66 H96 Cd Cl2 Fe2 N6 O24P -112.1351; 13.2343; 13.8728
91.809; 109.675; 104.825
2011Merkens, Carina; Truong, Khai-Nghi; Englert, Ulli
3-(4-Pyridyl)-acetylacetone ‒ a fully featured substituted pyridine and a flexible linker for complex materials
Acta Crystallographica Section B, 2014, 70, 705-713
2105950 CIF
HKL
Paper
C65.23 H92.91 Br2 Cd Fe2 N6 O23.23P -112.2603; 13.356; 13.9326
92.055; 109.196; 105.345
2058.8Merkens, Carina; Truong, Khai-Nghi; Englert, Ulli
3-(4-Pyridyl)-acetylacetone ‒ a fully featured substituted pyridine and a flexible linker for complex materials
Acta Crystallographica Section B, 2014, 70, 705-713
2105951 CIF
HKL
Paper
C64.09 H68.18 Cd3 Cl8.18 Fe2 I6 N6 O12C 1 2/c 132.186; 13.7863; 27.721
90; 125.118; 90
10061.4Merkens, Carina; Truong, Khai-Nghi; Englert, Ulli
3-(4-Pyridyl)-acetylacetone ‒ a fully featured substituted pyridine and a flexible linker for complex materials
Acta Crystallographica Section B, 2014, 70, 705-713
2105952 CIF
HKL
Paper
C64.09 H68.18 Cd3 Cl8.18 Fe2 I6 N6 O12C 1 2/c 132.186; 13.7863; 27.721
90; 125.118; 90
10061.4Merkens, Carina; Truong, Khai-Nghi; Englert, Ulli
3-(4-Pyridyl)-acetylacetone ‒ a fully featured substituted pyridine and a flexible linker for complex materials
Acta Crystallographica Section B, 2014, 70, 705-713
2105953 CIFAl67.4 Ni14.7 Rh17.8P 1150; 150; 4.181
90; 90; 90
94072.5Logvinovich, Dmitry; Simonov, Arkadiy; Steurer, Walter
Structure of decagonal Al‒Ni‒Rh
Acta Crystallographica Section B, 2014, 70, 732-742
2105954 CIF
Paper
H15 Na2 O11.5 SeC 1 2/c 125.082; 7.2222; 14.148
90; 106.08; 90
2462.6Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo
Similarities and peculiarities between the crystal structures of the hydrates of sodium sulfate and selenate
Acta Crystallographica Section B, 2014, 70, 714-722
2105955 CIFH20 Na2 O14 SeP 1 21/c 111.6498; 10.5446; 13.0181
90; 107.929; 90
1521.5Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo
Similarities and peculiarities between the crystal structures of the hydrates of sodium sulfate and selenate
Acta Crystallographica Section B, 2014, 70, 714-722
2105956 CIFH14 Na2 O11 SP 41 21 214.3249; 14.3249; 22.202
90; 90; 90
4555.9Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo
Similarities and peculiarities between the crystal structures of the hydrates of sodium sulfate and selenate
Acta Crystallographica Section B, 2014, 70, 714-722
2105957 CIFH20 Na2 O14 SP 1 21/c 111.47; 10.3515; 12.759
90; 107.815; 90
1442.3Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo
Similarities and peculiarities between the crystal structures of the hydrates of sodium sulfate and selenate
Acta Crystallographica Section B, 2014, 70, 714-722
2105958 CIFH20 Na2 O14 SP 1 21/c 111.467; 10.3455; 12.795
90; 107.805; 90
1445.2Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo
Similarities and peculiarities between the crystal structures of the hydrates of sodium sulfate and selenate
Acta Crystallographica Section B, 2014, 70, 714-722
2105959 CIF
HKL
Paper
Ca K Na O11 Si4P -17.021; 8.25; 10.145
102.23; 100.34; 115.09
495.4Aksenov, Sergey M.; Rastsvetaeva, Ramiza K.; Chukanov, Nikita V.; Kolitsch, Uwe
Structure of calcinaksite KNa[Ca(H~2~O)][Si~4~O~l0~], the first hydrous member of the litidionite group of silicates with [Si~8~O~20~]^8{-^} tubes
Acta Crystallographica Section B, 2014, 70, 768-775
2105960 CIF
Paper
C12 H8 N2 Na O8 PP -16.9661; 9.843; 11.215
103.93; 105.94; 106.35
666Starynowicz, Przemysław; Lis, Tadeusz
Charge-density distribution in sodium bis(4-nitrophenyl)phosphate
Acta Crystallographica Section B, 2014, 70, 723-731
2105961 CIF
HKL
Paper
C20 H20 N4P -16.6267; 8.354; 8.6889
83.876; 72.881; 70.676
433.78Rezler, Mateusz; Żołek, Teresa; Wolska, Irena; Maciejewska, Dorota
Structural aspects of intermolecular interactions in the solid state of 1,4-dibenzylpiperazines bearing nitrile or amidine groups
Acta Crystallographica Section B, 2014, 70, 820-827
2105962 CIF
Paper
C20 H38 Cl4 N6 O4P 1 21/n 16.1121; 12.8231; 18.3831
90; 99.274; 90
1421.96Rezler, Mateusz; Żołek, Teresa; Wolska, Irena; Maciejewska, Dorota
Structural aspects of intermolecular interactions in the solid state of 1,4-dibenzylpiperazines bearing nitrile or amidine groups
Acta Crystallographica Section B, 2014, 70, 820-827
2105965 CIF
Paper
C24 H36 Co Cr N6 O18P 1 21/n 113.1923; 18.0299; 14.1801
90; 99.357; 90
3327.9Kenfack Tsobnang, Patrice; Wenger, Emmanuel; Biache, Coralie; Lambi Ngolui, John; Ponou, Siméon; Dahaoui, Slimane; Lecomte, Claude
Two-dimensionally stacked heterometallic layers hosting a discrete chair dodecameric ring of water clusters: synthesis and structural study
Acta Crystallographica Section B, 2014, 70, 900-902
2105966 CIFC24 H36 N20 O18 Rh2P b c n18.843; 16.642; 12.307
90; 90; 90
3859.3Jin-Long; Uemura, Kazuhiro; Ebihara, Masahiro
Assembled structures of tetrakis(biimidazole)dirhodium complexes hydrogen-bonded with common inorganic anions
Acta Crystallographica Section B, 2014, 70, 1006-1019
2105967 CIFC24 H38 Cl4 N16 O23 Rh2P 1 21/n 113.453; 13.334; 24.906
90; 91.749; 90
4465.6Jin-Long; Uemura, Kazuhiro; Ebihara, Masahiro
Assembled structures of tetrakis(biimidazole)dirhodium complexes hydrogen-bonded with common inorganic anions
Acta Crystallographica Section B, 2014, 70, 1006-1019
2105968 CIFC26 H32 Cl4 N16 O18 Rh2P b c n20.119; 16.115; 13.055
90; 90; 90
4232.7Jin-Long; Uemura, Kazuhiro; Ebihara, Masahiro
Assembled structures of tetrakis(biimidazole)dirhodium complexes hydrogen-bonded with common inorganic anions
Acta Crystallographica Section B, 2014, 70, 1006-1019
2105969 CIFC30 H38 B4 F16 N18 O2 Rh2C 1 2/c 116.073; 19.104; 16.399
90; 111.673; 90
4679Jin-Long; Uemura, Kazuhiro; Ebihara, Masahiro
Assembled structures of tetrakis(biimidazole)dirhodium complexes hydrogen-bonded with common inorganic anions
Acta Crystallographica Section B, 2014, 70, 1006-1019
2105970 CIFC36 H54 F12 N18 O8 Rh2 Si2I 41 2 217.63; 17.63; 16.8037
90; 90; 90
5222.9Jin-Long; Uemura, Kazuhiro; Ebihara, Masahiro
Assembled structures of tetrakis(biimidazole)dirhodium complexes hydrogen-bonded with common inorganic anions
Acta Crystallographica Section B, 2014, 70, 1006-1019
2105971 CIFC60 H85.4 Cl6 F6 N38 O36.7 Rh4 SiP b c a20.17; 21.875; 22.541
90; 90; 90
9946Jin-Long; Uemura, Kazuhiro; Ebihara, Masahiro
Assembled structures of tetrakis(biimidazole)dirhodium complexes hydrogen-bonded with common inorganic anions
Acta Crystallographica Section B, 2014, 70, 1006-1019
2105972 CIFC60 H82.82 Cl8 N38 O43.41 Rh4P b c a20.289; 21.524; 22.45
90; 90; 90
9804Jin-Long; Uemura, Kazuhiro; Ebihara, Masahiro
Assembled structures of tetrakis(biimidazole)dirhodium complexes hydrogen-bonded with common inorganic anions
Acta Crystallographica Section B, 2014, 70, 1006-1019
2105973 CIFC28 H40 F12 N18 O6 Rh2 Si2C 1 2/c 127.057; 9.9832; 18.718
90; 122.256; 90
4275.7Jin-Long; Uemura, Kazuhiro; Ebihara, Masahiro
Assembled structures of tetrakis(biimidazole)dirhodium complexes hydrogen-bonded with common inorganic anions
Acta Crystallographica Section B, 2014, 70, 1006-1019
2105974 CIF
HKL
Paper
C6 H7 N O5P -18.1895; 9.8902; 10.6709
113.376; 104.25; 103.472
713.87Francis, Raju; Raghavaiah, Pallepogu; Pius, Kuruvilla
Unusual crystal structure of <i>N</i>-substituted maleamic acid ‒ very strong effect of intramolecular hydrogen bonds
Acta Crystallographica Section B, 2014, 70, 942-947
2105975 CIF
HKL
C5 H6 N2 O4P b c n10.4325; 6.7755; 18.6056
90; 90; 90
1315.1Francis, Raju; Raghavaiah, Pallepogu; Pius, Kuruvilla
Unusual crystal structure of <i>N</i>-substituted maleamic acid ‒ very strong effect of intramolecular hydrogen bonds
Acta Crystallographica Section B, 2014, 70, 942-947
2105976 CIF
HKL
Paper
C9 H23 Br2 Ca N3 O7P 1 21 14.8971; 15.812; 11.773
90; 93.746; 90
909.7Lamberts, Kevin; Möller, Andreas; Englert, Ulli
Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers
Acta Crystallographica Section B, 2014, 70, 989-998
2105977 CIF
HKL
Paper
C9 H23 Ca I2 N3 O7P 1 21 14.9164; 16.416; 12.039
90; 92.435; 90
970.8Lamberts, Kevin; Möller, Andreas; Englert, Ulli
Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers
Acta Crystallographica Section B, 2014, 70, 989-998
2105978 CIF
HKL
Paper
C9 H23 Br2 Mn N3 O7P 1 21 14.7809; 15.7146; 11.6246
90; 93.581; 90
871.65Lamberts, Kevin; Möller, Andreas; Englert, Ulli
Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers
Acta Crystallographica Section B, 2014, 70, 989-998
2105979 CIF
HKL
Paper
C9 H23 I2 Mn N3 O7P 1 21 14.7932; 16.261; 11.894
90; 92.255; 90
926.3Lamberts, Kevin; Möller, Andreas; Englert, Ulli
Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers
Acta Crystallographica Section B, 2014, 70, 989-998
2105980 CIF
HKL
Paper
C6 H20 Ca Cl2 N2 O7P b c n23.347; 8.702; 7.391
90; 90; 90
1501.6Lamberts, Kevin; Möller, Andreas; Englert, Ulli
Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers
Acta Crystallographica Section B, 2014, 70, 989-998
2105981 CIF
HKL
Paper
C9 H23 Br2 Ca N3 O7P c 21 n4.8727; 16.0701; 23.129
90; 90; 90
1811.1Lamberts, Kevin; Möller, Andreas; Englert, Ulli
Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers
Acta Crystallographica Section B, 2014, 70, 989-998
2105982 CIF
HKL
Paper
C15 H45 Ca2 I4 N5 O15P 1 21/c 122.842; 8.3609; 18.807
90; 97.734; 90
3559.1Lamberts, Kevin; Möller, Andreas; Englert, Ulli
Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers
Acta Crystallographica Section B, 2014, 70, 989-998
2105983 CIF
HKL
Paper
C6 H22 Cl2 Mn N2 O8P 1 21/c 14.7294; 19.101; 9.0705
90; 103.395; 90
797.1Lamberts, Kevin; Möller, Andreas; Englert, Ulli
Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers
Acta Crystallographica Section B, 2014, 70, 989-998
2105984 CIF
HKL
Paper
C6 H22 Br2 Mn N2 O8P 1 21/c 14.7592; 19.571; 9.1998
90; 102.45; 90
836.74Lamberts, Kevin; Möller, Andreas; Englert, Ulli
Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers
Acta Crystallographica Section B, 2014, 70, 989-998
2105985 CIF
HKL
Paper
C6 H22 I2 Mn N2 O8P 1 21/c 14.794; 20.114; 9.482
90; 100.047; 90
900.3Lamberts, Kevin; Möller, Andreas; Englert, Ulli
Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers
Acta Crystallographica Section B, 2014, 70, 989-998
2105986 CIF
Paper
C10.98 H7 Br0.02 Cl N3.98 O2P 1 21/n 19.3618; 9.6497; 12.9909
90; 105.428; 90
1131.29Poulain, Agnieszka; Kubicki, Maciej; Lecomte, Claude
Isomorphism and solid solution as shown by an accurate high-resolution diffraction experiment
Acta Crystallographica Section B, 2014, 70, 973-982
2105987 CIF
HKL
Paper
Al46 Ru14P b m a23.4; 16.2; 20
90; 90; 90
7582Samuha, Shmuel; Mugnaioli, Enrico; Grushko, Benjamin; Kolb, Ute; Meshi, Louisa
Atomic structure solution of the complex quasicrystal approximant Al~77~Rh~15~Ru~8~ from electron diffraction data
Acta Crystallographica Section B, 2014, 70, 999-1005
2105988 CIF
HKL
Paper
Fe3.539 H4 O9 Si1.461C 1 m 15.5033; 9.5289; 7.3328
90; 104.493; 90
372.3Hybler, Jiří
Refinement of cronstedtite-1<i>M</i>
Acta Crystallographica Section B, 2014, 70, 963-972
2105989 CIF
HKL
Paper
C H10 N2 O4P n m a12.047; 4.4525; 11.023
90; 90; 90
591.3Fortes, A. Dominic; Wood, Ian G.; Alfè, Dario; Hernández, Eduardo R.; Gutmann, Matthias J.; Sparkes, Hazel A.
Structure, hydrogen bonding and thermal expansion of ammonium carbonate monohydrate
Acta Crystallographica Section B, 2014, 70, 948-962
2105990 CIF
HKL
Paper
C H10 N2 O4P n m a12.056; 4.4519; 11.016
90; 90; 90
591.3Fortes, A. Dominic; Wood, Ian G.; Alfè, Dario; Hernández, Eduardo R.; Gutmann, Matthias J.; Sparkes, Hazel A.
Structure, hydrogen bonding and thermal expansion of ammonium carbonate monohydrate
Acta Crystallographica Section B, 2014, 70, 948-962
2105991 CIF
HKL
Paper
C85.39 H157.5 Cr7.01 F8 Mn N O33.5P 1 21/c 124.9224; 16.5198; 30.8326
90; 110.356; 90
11901.4Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.
Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd
Acta Crystallographica Section B, 2014, 70, 932-941
2105992 CIF
HKL
C85.4 H157.49 Cr7.02 F8 Fe0.98 N O33.5P 1 21/c 125.0491; 16.6301; 30.9272
90; 110.183; 90
12092.2Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.
Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd
Acta Crystallographica Section B, 2014, 70, 932-941
2105993 CIF
HKL
C85.42 H157.48 Co0.94 Cr7.06 F8 N O33.5P 1 21/c 125.0305; 16.6392; 30.9101
90; 110.025; 90
12095.4Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.
Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd
Acta Crystallographica Section B, 2014, 70, 932-941
2105994 CIF
HKL
C85.46 H157.49 Cr7.07 F8 N Ni0.93 O33.5P 1 21/c 124.8611; 16.5028; 30.85
90; 110.092; 90
11886.8Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.
Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd
Acta Crystallographica Section B, 2014, 70, 932-941
2105995 CIF
HKL
C85.4 H157.5 Cr7.07 F8 N O33.5 Zn0.925P 1 21/c 124.941; 16.549; 30.871
90; 109.97; 90
11976Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.
Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd
Acta Crystallographica Section B, 2014, 70, 932-941
2105996 CIF
HKL
C85.39 H157.49 Cd0.89 Cr7.11 F8 N O33.5P 1 21/c 125.0715; 16.5459; 31.1595
90; 111.223; 90
12049.3Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.
Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd
Acta Crystallographica Section B, 2014, 70, 932-941
2105997 CIFC86 H160 Cr7 Cu F8 N O33P 1 21/c 125.0974; 16.6749; 30.9582
90; 110.205; 90
12158.6Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.
Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd
Acta Crystallographica Section B, 2014, 70, 932-941
2106652 CIF
HKL
Paper
F7 H12 N3 TiP 4/m n c11.9597; 11.9597; 11.6747
90; 90; 90
1669.9Molokeev, Maxim; Misjul, Sergey V.; Flerov, Igor N.; Laptash, Natalia M.
Reconstructive phase transition in (NH~4~)~3~TiF~7~ accompained by the ordering TiF~6~ of octahera
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 924-931
2106653 CIF
HKL
Paper
F7 H12 N3 TiP a -311.78316; 11.78316; 11.78316
90; 90; 90
1636.01Molokeev, Maxim; Misjul, Sergey V.; Flerov, Igor N.; Laptash, Natalia M.
Reconstructive phase transition in (NH~4~)~3~TiF~7~ accompained by the ordering TiF~6~ of octahera
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 924-931
2108350 CIF
HKL
Paper
F7 H12 N3 TiP a -311.78316; 11.78316; 11.78316
90; 90; 90
1636.01Molokeev, Maxim; Misjul, Sergey V.; Flerov, Igor N.; Laptash, Natalia M.
Reconstructive phase transition in (NH~4~)~3~TiF~7~ accompained by the ordering TiF~6~ of octahera
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 924-931
2310129 CIF
HKL
Paper
C6 H8 O2C 1 2/m 112.402; 6.47; 6.321
90; 93.69; 90
506.2Nassour, Ayoub; Kubicki, Maciej; Wright, Jonathan; Borowiak, Teresa; Dutkiewicz, Grzegorz; Lecomte, Claude; Jelsch, Christian
Charge-density analysis using multipolar atom and spherical charge models: 2-methyl-1,3-cyclopentanedione, a compound displaying a resonance-assisted hydrogen bond.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 197-211
2310756 CIFF Mg2 O4 PP 1 21/n 112.7628; 12.6564; 9.6348
90; 117.6; 90
1379.22Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas
Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH)
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 243-258
2310757 CIFF Fe1.078 Mg0.922 O4 PC 1 2/c 113.0183; 6.4149; 9.8411
90; 118.562; 90
721.823Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas
Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH)
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 243-258
2310758 CIFF Fe0.649 Mg1.351 O4 PC 1 2/c 112.884; 6.3889; 9.7384
90; 117.799; 90
709.098Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas
Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH)
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 243-258
2310759 CIFF Fe0.185 Mg1.815 O4 PC 1 2/c 112.7978; 6.3523; 9.6642
90; 117.567; 90
696.46Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas
Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH)
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 243-258
2310760 CIFF Fe0.029 Mg1.971 O4 PC 1 2/c 112.7707; 6.3394; 9.6462
90; 117.524; 90
692.553Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas
Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH)
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 243-258
2310761 CIFF Fe0 Mg2 O4 PC 1 2/c 112.7633; 6.3282; 9.635
90; 117.599; 90
689.66Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas
Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH)
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 243-258
2310762 CIF
Paper
Ba0.761 Ca0.239 Nb2 O6C m m 2 (2*c,a,b)7.9429; 17.624; 17.6229
90; 90; 90
2466.95Graetsch, Heribert A.; Pandey, Chandra Shehkar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred
Incommensurate modulations of relaxor ferroelectric Ca0.24Ba0.76Nb2O6 (CBN24) and Ca0.31Ba0.69Nb2O6 (CBN31)
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 743-749
2310763 CIF
Paper
Ba0.761 Ca0.239 Nb2 O6P 4 b m (a,b,2*c)12.4476; 12.4476; 7.9291
90; 90; 90
1228.56Graetsch, Heribert A.; Pandey, Chandra Shehkar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred
Incommensurate modulations of relaxor ferroelectric Ca0.24Ba0.76Nb2O6 (CBN24) and Ca0.31Ba0.69Nb2O6 (CBN31)
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 743-749
2310764 CIF
Paper
Ba0.693 Ca0.307 Nb2 O6P 4 b m (a,b,2*c)12.4608; 12.4608; 7.9185
90; 90; 90
1229.52Graetsch, Heribert A.; Pandey, Chandra Shehkar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred
Incommensurate modulations of relaxor ferroelectric Ca0.24Ba0.76Nb2O6 (CBN24) and Ca0.31Ba0.69Nb2O6 (CBN31)
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 743-749
2310765 CIF
Paper
C17 H22 F N O2P 1 21/n 110.8498; 6.5247; 21.3826
90; 98.246; 90
1498.06Schönleber, Andreas; van Smaalen, Sander; Weiss, Hans Christoph; Kesel, Andreas J.
N-H...O and C-H...F hydrogen bonds in the incommensurately modulated crystal structure of adamantan-1-ammonium 4-fluorobenzoate.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 652-659
2310770 CIF
Paper
Cu3 SnC m c m5.521; 47.781; 4.334
90; 90; 90
1143.3Müller, Carola J; Lidin, Sven
Cu~3~Sn - understanding the systematic absences.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887
2310771 CIF
Paper
Cu3 SnC m c m5.5185; 47.768; 4.332
90; 90; 90
1141.95Müller, Carola J; Lidin, Sven
Cu~3~Sn - understanding the systematic absences.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887
2310772 CIF
Paper
Cu3 SnC m c m5.5196; 38.2386; 4.3321
90; 90; 90
914.34Müller, Carola J; Lidin, Sven
Cu~3~Sn - understanding the systematic absences.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887
2310773 CIF
Paper
Cu3 SnC m c m5.5184; 38.2337; 4.3326
90; 90; 90
914.13Müller, Carola J; Lidin, Sven
Cu~3~Sn - understanding the systematic absences.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887
2310774 CIF
Paper
Cu3 SnC m c m5.5199; 47.7904; 4.3326
90; 90; 90
1142.93Müller, Carola J; Lidin, Sven
Cu~3~Sn - understanding the systematic absences.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887
2310775 CIF
Paper
Cu3.048 Sn0.952P m m a (2*b+1/4,c,a-1/3)5.528; 4.783; 4.3391
90; 90; 90
114.73Müller, Carola J; Lidin, Sven
Cu~3~Sn - understanding the systematic absences.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887
2310776 CIF
Paper
Cu3.027 Sn0.973P m m a (2*b+1/4,c,a-1/3)5.525; 4.781; 4.3385
90; 90; 90
114.6Müller, Carola J; Lidin, Sven
Cu~3~Sn - understanding the systematic absences.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887
2310777 CIF
Paper
Cu3.031 Sn0.969P m m a (2*b+1/4,c,a-1/3)5.529; 4.787; 4.3381
90; 90; 90
114.82Müller, Carola J; Lidin, Sven
Cu~3~Sn - understanding the systematic absences.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887
2310778 CIF
Paper
Cu3.022 Sn0.978P m m a (2*b+1/4,c,a-1/3)5.523; 4.783; 4.336
90; 90; 90
114.54Müller, Carola J; Lidin, Sven
Cu~3~Sn - understanding the systematic absences.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887
2310779 CIF
Paper
Cu3.013 Sn0.987P m m a (2*b,c,a)5.529; 4.788; 4.3411
90; 90; 90
114.92Müller, Carola J; Lidin, Sven
Cu~3~Sn - understanding the systematic absences.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887
2310787 CIFO7 P2 Zn2I 1 2/c 120.1131; 8.2769; 9.109
90; 106.338; 90
1455.2Stöger, Berthold; Weil, Matthias; Dušek, Michal
The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554
2310788 CIFO7 P2 Zn2C 1 2/m 16.6082; 8.2821; 4.5238
90; 105.439; 90
238.652Stöger, Berthold; Weil, Matthias; Dušek, Michal
The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554
2310789 CIFO7 P2 Zn2C 1 2/m 16.6053; 8.2821; 4.5243
90; 105.416; 90
238.6Stöger, Berthold; Weil, Matthias; Dušek, Michal
The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554
2310790 CIFO7 P2 Zn2C 1 2/m 16.6041; 8.2827; 4.5249
90; 105.406; 90
238.617Stöger, Berthold; Weil, Matthias; Dušek, Michal
The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554
2310791 CIFO7 P2 Zn2C 1 2/m 16.6036; 8.283; 4.525
90; 105.403; 90
238.617Stöger, Berthold; Weil, Matthias; Dušek, Michal
The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554
2310792 CIFO7 P2 Zn2C 1 2/m 16.6025; 8.2826; 4.5251
90; 105.4; 90
238.575Stöger, Berthold; Weil, Matthias; Dušek, Michal
The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554
2310793 CIFO7 P2 Zn2C 1 2/m 16.6018; 8.2835; 4.526
90; 105.391; 90
238.633Stöger, Berthold; Weil, Matthias; Dušek, Michal
The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554
2310794 CIFO7 P2 Zn2C 1 2/m 16.6011; 8.2839; 4.5266
90; 105.387; 90
238.655Stöger, Berthold; Weil, Matthias; Dušek, Michal
The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554
2310795 CIFO7 P2 Zn2C 1 2/m 16.5998; 8.2845; 4.53
90; 105.335; 90
238.86Stöger, Berthold; Weil, Matthias; Dušek, Michal
The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554
2311629 CIFC19 H20 Cl N O6P 1 21 111.783; 8.5387; 19.297
90; 96.03; 90
1930.8Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.
Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 54-62
2311630 CIFC18 H20 Cl N O8P 21 21 218.5456; 11.74; 19.269
90; 90; 90
1933.2Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.
Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 54-62
2311631 CIFC18 H19.5 Cl N0.5 O7P 21 21 218.6852; 15.047; 27.605
90; 90; 90
3607.6Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.
Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 54-62
2311632 CIFC19 H22 Cl N O8C 1 2 121.931; 8.6541; 11.797
90; 117.57; 90
1984.7Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.
Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 54-62
2311633 CIF
Paper
C6 F10P 1 21/n 111.9302; 7.2371; 9.6574
90; 113.408; 90
765.2Solovyov, Leonid A.; Fedorov, Alexandr S.; Kuzubov, Aleksandr A.
Complete crystal structure of decafluorocyclohex-1-ene at 4.2 K from original neutron diffraction data.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 395-397

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