Crystallography Open Database

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1561470 CIFCu H2 I3 O2 Pb2F d d d :216.7082; 20.8465; 21.0159
90; 90; 90
7320Welch, Mark D.; Rumsey, Michael S.; Kleppe, Annette K.
A naturally-occurring new lead-based halocuprate(I)
Journal of Solid State Chemistry, 2016, 238, 9-14
1561471 CIFCu H2 I3 O2 Pb2F d d d :216.7082; 20.8465; 21.0159
90; 90; 90
7320Welch, Mark D.; Rumsey, Michael S.; Kleppe, Annette K.
A naturally-occurring new lead-based halocuprate(I)
Journal of Solid State Chemistry, 2016, 238, 9-14
1562461 CIFC40 H56 B4 N16 UF d d d :214.118; 20.636; 37.423
90; 90; 90
10903DeJesus, Joseph F.; Kerr, Ryan W. F.; Penchoff, Deborah A.; Carroll, Xian B.; Peterson, Charles C.; Arnold, Polly L.; Jenkins, David M.
Actinide tetra-N-heterocyclic carbene ‘sandwiches’
Chemical Science, 2021
1563767 CIFCu Mg2F d d d :25.2625; 9.0278; 18.307
90; 90; 90
869.74Braga, M.H.; Ferreira, J.J.A.; Siewenie, J.; Proffen, Th.; Vogel, S.C.; Daemen, L.L.
Neutron powder diffraction and first-principles computational studies of CuLixMg2−x (x≅0.08), CuMg2, and Cu2Mg
Journal of Solid State Chemistry, 2010, 183, 10-19
1563792 CIFC105 H72 O33 Pb11F d d d :226.6681; 31.3068; 56.946
90; 90; 90
47544Xiao, Jun-Xia; Ma, De-Yun
Syntheses, structures, luminescent and catalytic properties of two 3D metal-organic frameworks
Inorganica Chimica Acta, 2018, 483, 6-11
1563858 CIF
HKL
C24 H16 Cu N4 O8 YbF d d d :212.506; 22.88; 24.7
90; 90; 90
7068Xiong, Gang; Qi, Dan; He, Yongke; You, Lixin; Ren, Baoyi; Sun, Yaguang
Lanthanide contraction and anion-controlled structure diversity in two types of novel 3d-4f heterometallic coordination polymers: Crystal structure and magnetic properties
Inorganica Chimica Acta, 2018, 483, 299-304
1565408 CIFC12 H25 N3 O12 VF d d d :215.926; 18.696; 26.925
90; 90; 90
8017Visayas, Benjoe Rey Baguio; Pahari, Shyam K.; Gokoglan, Tugba Ceren; Golen, James A.; Agar, Ertan; Cappillino, Patrick; Mayes, Maricris Lodriguito
Computational and Experimental Investigation of the Effect of Cation Structure on the Solubility of Anionic Flow Battery Active-Materials
Chemical Science, 2021
1566198 CIFC68 H48 F16 O8F d d d :228.0557; 31.8586; 36.449
90; 90; 90
32579Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl
Nonspherical anion sequestration by C–H hydrogen bonding
Chemical Science, 2022
1567064 CIFC70 H89 N O12F d d d :212.556; 26.6378; 45.7727
90; 90; 90
15309.3Cao, Jiajun; Wu, Yitao; Li, Qi; Zhu, Weijie; Wang, Zeju; Liu, Yang; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe
Separation of pyrrolidine from tetrahydrofuran by pillar[6]arene-based nonporous adaptive crystals
Chemical Science, 2022
1567115 CIFC72 H48 Ag13 F18 N6 O18 S6F d d d :216.1557; 30.2077; 58.888
90; 90; 90
28739Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang
Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.
Chemical science, 2022, 13, 8095-8103
1567668 CIFGa2 S4 SrF d d d :212.2216; 20.5008; 20.8426
90; 90; 90
5222.2Yang, He-Di; Ran, Mao-Yin; Zhou, Sheng-Hua; Wu, Xin-Tao; Lin, Hua; Zhu, Qi-Long
Rational design via dual-site aliovalent substitution leads to an outstanding IR nonlinear optical material with well-balanced comprehensive properties
Chemical Science, 2022, 13, 10725-10733
1567748 CIFC3 H6 N2 OF d d d :29.97; 11.8236; 13.3559
90; 90; 90
1574.41Bellas, Michael K.; Matzger, Adam J.
Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt
Chemical Science, 2022, 13, 12100-12106
1569994 CIFC68 H56 Co N4 O2 S4F d d d :29.8404; 21.4458; 67.537
90; 90; 90
14252.7Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.
Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.
IUCrJ, 2023, 10
1569995 CIFC68 H56 N4 Ni O2 S4F d d d :29.8621; 21.6164; 67.069
90; 90; 90
14298Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.
Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.
IUCrJ, 2023, 10
1569996 CIFC68 H56 N6 O8 S4 ZnF d d d :29.8296; 21.4844; 67.4
90; 90; 90
14233.7Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.
Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.
IUCrJ, 2023, 10
1569997 CIF
Paper
C68 H56 Cd N6 O8 S4F d d d :29.8116; 21.432; 69.162
90; 90; 90
14544Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.
Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.
IUCrJ, 2023, 10
1570365 CIFC142 H140 Ni10 O S20F d d d :223.4478; 30.2351; 48.07
90; 90; 90
34079Fan, Ji-Qiang; Cen, Kehui; Xu, Hua-Jun; Wang, Hai-Yang; Yang, Ying; Zhu, Ze-Min; Liu, Hao; Chen, Dengyu; Fan, Weigang; Li, Man-Bo
Photochemical synthesis of group 10 metal nanoclusters for electrocatalysis.
Nanoscale, 2023, 15, 19079-19084
1570892 CIFC140 H140 Ni10 S20F d d d :223.4881; 30.1131; 48.101
90; 90; 90
34022Xiang, Huixin; Cheng, Ranran; Ruan, Chenhao; Meng, Changqing; Gan, Yuzheng; Cheng, Wanyu; Zhao, Yue; Xu, Cong-Qiao; Li, Jun; Yao, Chuanhao
A homologous series of macrocyclic Ni clusters: synthesis, structures, and catalytic properties.
Nanoscale, 2024, 16, 4563-4570
2002180 CIFCl2 Cu2 OF d d d :29.699; 9.603; 7.462
90; 90; 90
695Arpe, R; Mueller-Buschbaum, Hk
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 380-382
2003173 CIF
Paper
Ca7 O36 Ta6 Zr7F d d d :236.394; 7.3674; 31.006
90; 90; 90
8313.6Schmid, Siegbert; Thompson, John G.; Withers, Ray L.; Ling, Christopher D.; Ishizawa, Nobuo; Kishimoto, Shunji
The crystal structure of Ca~7~Zr~7~Ta~6~O~36~ refined using synchrotron-radiation data
Acta Crystallographica Section B, 1999, 55, 313-320
2006506 CIF
Paper
C22 H46 Si4F d d d :216.2226; 17.8756; 19.0452
90; 90; 90
5522.9Nagel, Norbert; Ansari, Manssur; Bock, Hans
1,2,4,5-Tetrakis(trimethylsilylmethyl)benzene at 150K
Acta Crystallographica Section C, 1997, 53, 1329-1331
2008571 CIF
Paper
As Mo O6 RbF d d d :212.694; 16.353; 11.122
90; 90; 90
2308.8Zid, Mohamed Faouzi; Jouini, Tahar
RbMoO~2~AsO~4~
Acta Crystallographica Section C, 1999, 55, 843-845
2010504 CIF
Paper
C30 H40 N6 S8 Zn2F d d d :211.7643; 19.9965; 32.9889
90; 90; 90
7760.47Chen, Xiao-Feng; Liu, Shu-Hua; Zhu, Xu-Hui; Vittal, Jagadese J.; Tan, Goek-Kheng; You, Xiao-Zeng
μ-(4,4'-Bipyridine)-<i>N</i>:<i>N</i>'-bis[bis-(pyrrolidinedithiocarboxylato-<i>S</i>,<i>S</i>')zinc(II)]
Acta Crystallographica Section C, 2000, 56, 42-43
2010573 CIF
HKL
Paper
C7 H11 Br N2F d d d :26.9804; 19.256; 26.131
90; 90; 90
3512.4Mayr-Stein, Ralf; Bolte, Michael
4-Dimethylaminopyridinium bromide
Acta Crystallographica Section C, 2000, 56, e19-e20
2011333 CIF
HKL
Paper
C16 H32 Cd I10 O8F d d d :210.914; 21.758; 32.774
90; 90; 90
7782.7Wieczorrek, Carsten
Isolierte I~10~^2{-^}-Ringe, ein neues Strukturelement in der Polyiodid-Chemie
Acta Crystallographica Section C, 2000, 56, 1082-1084
2011430 CIF
Paper
Ca2 Na3 O6 TaF d d d :26.5948; 9.493; 19.64
90; 90; 90
1229.6Yamane, Hisanori; Takahashi, Hiroki; Kajiwara, Takashi; Shimada, Masahiko
Na~3~Ca~2~TaO~6~, a rock-salt superstructure phase with a fully ordered cation arrangement
Acta Crystallographica Section C, 2000, 56, 1177-1178
2013790 CIF
Paper
C16 H14 Br4 Hg3 N8 S4F d d d :29.0573; 17.1999; 37.754
90; 90; 90
5881.5Matković-Čalogović, Dubravka; Mrvoš-Sermek, Draginja; Popović, Zora; Soldin, Željka
A new complex of HgBr~2~ and pyrimidine-2-thione: (pyrimidine-2-thionato-κ<i>S</i>)(pyrimidinium-2-thionato-κ<i>S</i>)mercury(II) tetrabromomercury(II)
Acta Crystallographica Section C, 2004, 60, m44-m46
2017053 CIF
HKL
Paper
C10 H24 La2 O18F d d d :212.1763; 13.3596; 27.2064
90; 90; 90
4425.68Koner, Rajesh; Goldberg, Israel
Two- and three-dimensional hydrated coordination polymers of diaqualanthanum(3+) ions with 2-hydroxypropanedioate, oxalate and acetate anions as bridging ligands
Acta Crystallographica Section C, 2009, 65, m160-m164
2022531 CIF
HKL
Paper
C16 H13 Gd N3 O8F d d d :217.9185; 18.0874; 26.5146
90; 90; 90
8593.4Tiwari, Ranjay K.; Saini, Mukesh Kumar; Behera, Jogendra N.; Hussain, Firasat
A three-dimensional gadolinium organic framework based on a pyridinedicarboxylic acid organic linker with a paddle-wheel-type network structure
Acta Crystallographica Section C, 2022, 78
2022920 CIF
HKL
Paper
C38 H52 N5 O11 S2 V2F d d d :213.0134; 34.9495; 39.4864
90; 90; 90
17958.9Kodama, Shintaro; Hashiguchi, Terushi; Nomoto, Akihiro
Crystal structure of (μ-hydrogen di-sulfato)-μ-oxido-bis-[(4,4'-di-<i>tert</i>-butyl-2,2'-bi-pyridine)-oxidovanadium(IV/V)] aceto-nitrile monosolvate.
Acta crystallographica. Section E, Crystallographic communications, 2023, 79, 1055-1058
2100521 CIF
HKL
Paper
C6 D7 N OF d d d :212.1382; 10.2367; 19.5676
90; 90; 90
2431.37Damay, F.; Carretero-Genevrier, A.; Cousson, A.; Rodriguez-Carvajal, J.; Van Beek, W.; Fillaux, F.
Synchrotron and neutron diffraction study of 4-methylpyridine-<i>N</i>-oxide at low temperature
Acta Crystallographica Section B, 2006, 62, 627-633
2104414 CIF
Paper
C4 H2 O4 SrF d d d :210.59801; 9.81628; 10.00739
90; 90; 90
1041.1Ståhl, Kenny; Andersen, Jens E. T.; Shim, Irene; Christgau, Stephan
Structures of strontium diformate and strontium fumarate. A synchrotron powder diffraction study
Acta Crystallographica Section B, 2009, 65, 481-487
2106359 CIFNa2 O4 SeF d d d :26.099; 12.59; 10.163
90; 90; 90
780.38Kalman, A.; Cruickshank, D.W.J.
A note on the structure of Na2 Se O4
Acta Crystallographica B (24,1968-38,1982), 1970, 26, 436-436
2106591 CIFCo In2F d d d :29.402; 17.846; 5.282
90; 90; 90
886.257Stadelmaier, H.H.; Manaktala, H.K.
Intermetallic Co In2 , a representivtative of the Cu Mg2 structure type
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 374-378
2106982 CIFGe Hg2 O4F d d d :26.603; 10.596; 11.485
90; 90; 90
803.552Hesse, K.F.; Eysel, W.
Structure of Dimercury(II) Germanate(IV)
Acta Crystallographica B (24,1968-38,1982), 1981, 37, 429-431
2107211 CIFF In OF d d d :28.356; 10.186; 7.039
90; 90; 90
599.119Vlasse, M.; Chamberland, B.L.; Massies, J.C.
Etude structurale de l'oxyfluorure d'indium
Acta Crystallographica B (24,1968-38,1982), 1973, 29, 627-631
2200229 CIF
HKL
Paper
C14 H16 Mg N2 O9F d d d :27.4194; 19.044; 46.943
90; 90; 90
6632.8Park, Ki-Min; Yoon, Il; Seo, Joobeom; Lee, Yoon Hee; Lee, Shim Sung
A magnesium(II) complex of 1,10-phenanthroline-2,9-dicarboxylate
Acta Crystallographica Section E, 2001, 57, m154-m156
2202290 CIFSe3 Yb2F d d d :28.0183; 11.272; 23.961
90; 90; 90
2165.7Assoud, Abdeljalil; Kleinke, Holger
The sesquiselenide Yb~2~Se~3~
Acta Crystallographica, Section E, 2003, 59, i103-i104
2203239 CIFLi Mn2 O4F d d d :224.755; 24.8832; 8.2003
90; 90; 90
5051.3Tateishi, Kenji; Suda, Katsumi; du Boulay, Douglas; Ishizawa, Nobuo; Oishi, Shuji
LiMn~2~O~4~: a spinel-related low-temperature modification
Acta Crystallographica, Section E, 2004, 60, i18-i21
2203401 CIF
HKL
Paper
C30 H28 Cl2 Cu2 N6 O10F d d d :218.777; 23.3593; 30.4231
90; 90; 90
13344.1Jian Zhang; Yao Kang; Yi-Hang Wen; Zhao-Ji Li; Ye-Yan Qin; Jian-Kai Cheng; Yuan-Gen Yao
Poly[[dicopper(I)-tri-μ-4,4'-bipyridyl] diperchlorate dihydrate]
Acta Crystallographica Section E, 2004, 60, m504-m505
2203429 CIF
HKL
Paper
C6 K2 O6F d d d :28.426; 12.011; 15.671
90; 90; 90
1586Cowan, John A.; Howard, J.A.K.
Dipotassium rhodizonate
Acta Crystallographica Section E, 2004, 60, m511-m513
2204110 CIF
Paper
C12 H34 Cl2 Cu2 N4 O2F d d d :216.612; 18.311; 12.598
90; 90; 90
3832Dmitry V. Albov; Dmitry V. Davydov; Vladimir V. Chernyshev
Di-μ-hydroxo-bis[(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)copper(II)] dichloride from X-ray powder data
Acta Crystallographica Section E, 2004, 60, m1193-m1195
2204146 CIF
Paper
C16 H24 N4 O10 ZnF d d d :211.323; 18.517; 41.438
90; 90; 90
8688.2Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Ng, Seik Weng
<i>catena</i>-Poly[[[bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc(II)]-μ-1,4-phenylenedioxydiacetato-κ^2^<i>O</i>:<i>O</i>'] tetrahydrate]
Acta Crystallographica Section E, 2004, 60, m1329-m1330
2206926 CIF
HKL
Paper
C6 Na2 O6F d d d :211.48349; 14.3208; 7.92477
90; 90; 90
1303.25Dinnebier, Robert E.; Nuss, Hanne; Jansen, Martin
Disodium rhodizonate: a powder diffraction study
Acta Crystallographica Section E, 2005, 61, m2148-m2150
2210260 CIF
HKL
Paper
C10 H8 Cu2 N13F d d d :213.52; 18.127; 26.501
90; 90; 90
6495Yu, Ming-Ming; Kou, Hui-Zhong; Ni, Zhong-Hai; Ge, Chun-Hua; Cui, Ai-Li
A three-dimensional polymeric mixed-valence copper complex: poly[tri-μ-azido-μ-di-2-pyridyldiazene-dicopper(I,II)]
Acta Crystallographica Section E, 2006, 62, m2050-m2051
2212578 CIF
HKL
Paper
Bi Ca2 Na3 O6F d d d :26.7039; 9.6251; 19.947
90; 90; 90
1287.1Puzdrjakova, Irina V.; Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad
Trisodium dicalcium bismuth hexaoxide
Acta Crystallographica Section E, 2007, 63, i95-i96
2213112 CIF
HKL
Paper
C18 H16 N2F d d d :27.4694; 16.812; 22.514
90; 90; 90
2827.2Britton, Doyle; Silva, Saliya A. de
3,3',5,5'-Tetramethylbiphenyl-4,4'-dicarbonitrile
Acta Crystallographica Section E, 2007, 63, o2252-o2253
2213118 CIF
HKL
Paper
C3 H10 Cl N3F d d d :26.7568; 15.732; 23.364
90; 90; 90
2483.5Weinmann, Markus; Nuss, Jürgen; Jansen, Martin
<i>N</i>,<i>N</i>-Dimethylguanidinium chloride
Acta Crystallographica Section E, 2007, 63, o2767-o2769
2213608 CIF
HKL
Paper
C28 H44 Ag2 N4 O13F d d d :213.557; 15.284; 33.413
90; 90; 90
6923.3Yan, Guo-Bing; Ng, Seik Weng
<i>catena</i>-Poly[bis[silver(I)-μ-1,2-di-4-pyridylethane-κ^2^<i>N</i>:<i>N</i>'] fumarate nonahydrate]
Acta Crystallographica Section E, 2007, 63, m1368-m1369
2215231 CIF
HKL
Paper
C14 H18 Li2 O8F d d d :29.4452; 10.0151; 32.566
90; 90; 90
3080.6Steyl, Gideon
Tetraaqualithium(I) bis(tropolonato-κ^2^<i>O</i>,<i>O</i>')lithate(I)
Acta Crystallographica Section E, 2007, 63, m2343-m2343
2218789 CIF
HKL
Paper
C2 H4 Mg O6F d d d :25.394; 12.691; 15.399
90; 90; 90
1054.1Chen, Xue-An; Song, Fang-Ping; Chang, Xin-An; Zang, He-Gui; Xiao, Wei-Qiang
A new polymorph of magnesium oxalate dihydrate
Acta Crystallographica Section E, 2008, 64, m863
2219045 CIF
HKL
Paper
C8 H8 N4 O2F d d d :29.831; 13.609; 24.344
90; 90; 90
3257Kakanejadifard, Ali; Amani, Vahid
(2<i>Z</i>,3<i>Z</i>)-Quinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione dioxime
Acta Crystallographica Section E, 2008, 64, o1512
2225526 CIF
HKL
Paper
C14 H16 Co N2 O9F d d d :27.4093; 18.9267; 46.609
90; 90; 90
6536.1Shi, Zi-Fa; Gao, Zhu-Qing; Gu, Jin-Zhong
Triaqua(1,10-phenanthroline-2,9-dicarboxylato)cobalt(II) dihydrate
Acta Crystallographica Section E, 2010, 66, m372-m373
2228407 CIF
HKL
Paper
C38 H28 Ag2 Cl2 N12 O8 S4F d d d :210.4382; 27.896; 30.089
90; 90; 90
8761Zhu, Hai-Bin
Bis(μ-bis{[4-(2-pyridyl)pyrimidin-2-yl]sulfanyl}methane)disilver(I) bis(perchlorate)
Acta Crystallographica Section E, 2010, 66, m1691
2229017 CIF
HKL
Paper
C24 H26 Co N4 O6F d d d :218.057; 18.792; 30.07
90; 90; 90
10204Xu, Mai; Wei, Yi-Jun; Wang, Feng-Wu
Bis[2-(cyclopentyliminomethyl)-4-nitrophenolato-κ^2^<i>N</i>^2^,<i>O</i>]cobalt(II)
Acta Crystallographica Section E, 2011, 67, m245
2233956 CIF
HKL
Paper
C11 H23 N O2F d d d :212.0713; 23.4762; 34.496
90; 90; 90
9775.8Journot, Guillaume; Neier, Reinhard; Stoeckli-Evans, Helen
2,2'-[(2<i>S</i>*,6<i>R</i>*)-Piperidine-2,6-diyl]dipropan-2-ol
Acta Crystallographica Section E, 2012, 68, o857
2237157 CIF
HKL
Paper
C10 H20 Er2 O20F d d d :29.6016; 15.701; 26.722
90; 90; 90
4028.5Yang, Qing-Feng; Wang, Xiao-Zhong; Xue, Ping
Poly[[tetraaquadi-μ~4~-fumarato-μ~2~-oxalato-dierbium(III)] tetrahydrate]
Acta Crystallographica Section E, 2013, 69, m52
2237340 CIF
HKL
Paper
C20 H20 Br2 N4 RuF d d d :216.83; 22.032; 23.221
90; 90; 90
8610Wu, Xiu-Li; Ye, Ru-Fei; Jia, Ai-Quan; Chen, Qun; Zhang, Qian-Feng
<i>trans</i>-Dibromidotetrakis(pyridine-κ<i>N</i>)ruthenium(II)
Acta Crystallographica Section E, 2013, 69, m105
2237835 CIF
HKL
Paper
C30 H28 O6F d d d :219.6446; 21.5251; 22.9585
90; 90; 90
9708Sasagawa, Kosuke; Sakamoto, Rei; Hijikata, Daichi; Yonezawa, Noriyuki; Okamoto, Akiko
(4-Ethoxybenzoyl)[8-(4-ethoxybenzoyl)-2,7-dimethoxynaphthalen-1-yl]methanone
Acta Crystallographica Section E, 2013, 69, o651
2240592 CIF
HKL
Paper
Ba Cl2 O8F d d d :214.304; 11.688; 7.2857
90; 90; 90
1218.1Lee, Jeonghoo H.; Kang, Ji Hoon; Lim, Sung-Chul; Hong, Seung-Tae
Crystal structure of barium perchlorate anhydrate, Ba(ClO~4~)~2~, from laboratory X-ray powder data
Acta Crystallographica Section E, 2015, 71, 588-591
2244009 CIF
HKL
Paper
C18 H15 N2 O0.5F d d d :27.2131; 13.8648; 53.4532
90; 90; 90
5345.8Kalle, Paulina; Tatarin, Sergei V.; Kiseleva, Marina A.; Zakharov, Alexander Yu.; Smirnov, Daniil E.; Bezzubov, Stanislav I.
Syntheses and crystal structures of 2-(<i>p</i>-tolyl)-1<i>H</i>-perimidine hemihydrate and 1-methyl-2-(<i>p</i>-tolyl)-1<i>H</i>-perimidine
Acta Crystallographica Section E, 2022, 78
2310101 CIFB0.9 Cr0.9 Fe1.1F d d d :214.57; 7.32; 4.22
90; 90; 90
450.073Brown, B.E.; Beerntsen, D.J.
Refinement of an iron chromium boride with the Mn4 B structure
Acta Crystallographica (1,1948-23,1967), 1964, 17, 448-450
2310804 CIFS8F d d d :210.437; 12.845; 24.369
90; 90; 90
3266.99Abrahams, S.C.
The crystal and molecular structure of orthorhombic sulphur
Acta Crystallographica (1,1948-23,1967), 1955, 8, 661-671
3500054 CIFLi3 Mg2 Nb O6F d d d :28.55706; 5.8935; 17.7013
90; 90; 90
892.69Armel Le Bail
A 1995 neutron/X-ray study of Li3Mg2NbO6 stopped because of Mather et al., J. Mater Chem. 1995, 5, 1177-1182
Personal communication to COD, 2016
3500055 CIFLi3 Mg2 Nb O6F d d d :28.55816; 5.90289; 17.7437
90; 90; 90
896.37Armel Le Bail
A 1995 neutron/X-ray study of Li3Mg2NbO6 stopped because of Mather et al., J. Mater Chem. 1995, 5, 1177-1182
Personal communication to COD, 2016
4000644 CIFC12 H6 O6 ScF d d d :28.7433; 20.7448; 34.3664
90; 90; 90
6233.3Perles, Josefina; Iglesias, Marta; Martín-Luengo, Maria-Ángeles; Monge, M. Ángeles; Ruiz-Valero, Caridad; Snejko, Natalia
Metal−Organic Scandium Framework: Useful Material for Hydrogen Storage and Catalysis
Chemistry of Materials, 2005, 17, 5837-5842
4001083 CIFC17 H9 F6 In O5F d d d :27.1145; 25.8569; 43.551
90; 90; 90
8011.6Gándara, F.; Gomez-Lor, B.; Gutiérrez-Puebla, E.; Iglesias, M.; Monge, M. A.; Proserpio, D. M.; Snejko, N.
An Indium Layered MOF as Recyclable Lewis Acid Catalyst
Chemistry of Materials, 2008, 20, 72
4001084 CIFC20 H9 F6 In O5F d d d :27.1213; 25.8933; 43.629
90; 90; 90
8044.9Gándara, F.; Gomez-Lor, B.; Gutiérrez-Puebla, E.; Iglesias, M.; Monge, M. A.; Proserpio, D. M.; Snejko, N.
An Indium Layered MOF as Recyclable Lewis Acid Catalyst
Chemistry of Materials, 2008, 20, 72
4001243 CIFLi3.06 Mg1.94 O6 RuF d d d :25.87589; 8.42064; 17.6455
90; 90; 90
873.08Derakhshan, Shahab; Greedan, John E.; Katsumata, Tetsuhiro; Cranswick, Lachlan M. D.
Long-Range Antiferromagnetic Ordering in the Novel Magnetically Frustrated Rock Salt Oxide System: Li3Mg2RuO6
Chemistry of Materials, 2008, 20, 5714
4001939 CIFC7 H7 In N3 O9.5F d d d :217.2988; 18.119; 31.676
90; 90; 90
9928.4Zhao, Xiang; Mao, Chengyu; Bu, Xianhui; Feng, Pingyun
Direct Observation of Two Types of Proton Conduction Tunnels Coexisting in a New Porous Indium‒Organic Framework
Chemistry of Materials, 2014, 26, 2492
4002643 CIFB2 H8 MnF d d d :212.638; 9.321; 9.205
90; 90; 90
1084Tumanov, Nikolay A.; Roedern, Elsa; Łodziana, Zbigniew; Nielsen, Dorrit B.; Jensen, Torben R.; Talyzin, Alexandr V.; Černý, Radovan; Chernyshov, Dmitry; Dmitriev, Vladimir; Palasyuk, Taras; Filinchuk, Yaroslav
High-Pressure Study of Mn(BH4)2Reveals a Stable Polymorph with High Hydrogen Density
Chemistry of Materials, 2016, 28, 274
4003191 CIFC12 H6 O6 ScF d d d :28.7442; 20.7536; 34.333
90; 90; 90
6230.5McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.
Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules
Chemistry of Materials, 2016, 28, 466
4003192 CIFC12 H6 O6 ScF d d d :28.777; 20.772; 34.38
90; 90; 90
6268McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.
Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules
Chemistry of Materials, 2016, 28, 466
4003193 CIFC24 H12 O12 Sc2F d d d :28.681; 20.723; 34.341
90; 90; 90
6178McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.
Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules
Chemistry of Materials, 2016, 28, 466
4003194 CIFC25.8 H12 O12 Sc2F d d d :28.7561; 20.752; 34.297
90; 90; 90
6232McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.
Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules
Chemistry of Materials, 2016, 28, 466
4003195 CIFC30 H12 O12 Sc2F d d d :28.7373; 20.691; 34.124
90; 90; 90
6169.1McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.
Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules
Chemistry of Materials, 2016, 28, 466
4003196 CIFC29 H12 O12 Sc2F d d d :28.7185; 20.7142; 34.265
90; 90; 90
6188.1McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.
Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules
Chemistry of Materials, 2016, 28, 466
4003197 CIFC24 H12 O12 Sc2F d d d :28.7578; 20.7293; 34.292
90; 90; 90
6225.5McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.
Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules
Chemistry of Materials, 2016, 28, 466
4003198 CIFC30 H12 O12 Sc2F d d d :28.7745; 20.668; 34.203
90; 90; 90
6202.8McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.
Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules
Chemistry of Materials, 2016, 28, 466
4003199 CIFC30 H12 O12 Sc2F d d d :28.6945; 20.808; 34.079
90; 90; 90
6165.4McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.
Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules
Chemistry of Materials, 2016, 28, 466
4003200 CIFC30 H12 O12 Sc2F d d d :28.6945; 20.808; 34.079
90; 90; 90
6165.4McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.
Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules
Chemistry of Materials, 2016, 28, 466
4003201 CIFC28.5 H12 O12 Sc2F d d d :28.779; 20.742; 34.287
90; 90; 90
6243McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.
Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules
Chemistry of Materials, 2016, 28, 466
4003202 CIFC30 H12 O12 Sc2F d d d :28.779; 20.742; 34.287
90; 90; 90
6243McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.
Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules
Chemistry of Materials, 2016, 28, 466
4003203 CIFC30 H12 O12 Sc2F d d d :28.779; 20.742; 34.287
90; 90; 90
6243McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.
Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules
Chemistry of Materials, 2016, 28, 466
4003633 CIFC72 H78 F6 O8 SbF d d d :218.2924; 23.5585; 59.258
90; 90; 90
25536.7Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing
Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity
Chemistry of Materials, 2020, 32, 5927-5936
4003835 CIFC7.25 H11.5 Cl0.5 F3 K N O3 SF d d d :218.2533; 32.815; 32.965
90; 90; 90
19745Schkeryantz, Luke A.; Zheng, Jingfeng; McCulloch, William D.; Qin, Lei; Zhang, Songwei; Moore, Curtis E.; Wu, Yiying
Designing Potassium Battery Salts through a Solvent-in-Anion Concept for Concentrated Electrolytes and Mimicking Solvation Structures
Chemistry of Materials, 2020, 32, 10423-10434
4022410 CIFC26 H20 N4F d d d :217.009; 27.519; 8.5
90; 90; 90
3978.5Yasuo Norikane; Kogorou Kitamoto; Nobuyuki Tamaoki
Novel Crystal Structure, Cis-Trans Isomerization, and Host Property of Meta-Substituted Macrocyclic Azobenzenes with the Shortest Linkers
Journal of Organic Chemistry, 2003, 68, 8291-8304
4022550 CIFC16 H20 O8F d d d :212.707; 13.653; 19.07
90; 90; 90
3308Carles Ayats; Pelayo Camps; María D. Duque; Mercé Font-Bardia; M. Rosa Muñoz; Xavier Solans; Santiago Vázquez
Alternative Syntheses of the New D~2d~ Symmetric Tetramethyl Tricyclo- [3.3.0.0^3,7^]octane-1,3,5,7-tetracarboxylate
Journal of Organic Chemistry, 2003, 68, 8715-8718
4027803 CIFAg Cs2 Nb S4F d d d :25.9468; 14.09; 24.605
90; 90; 90
2061.66Klepp, K.O.; Gabl, G.
New complex sulfides of the heavy Va-metals with pseudo-onedimensional structures: preparation and structural characterization of K2 Ag Nb S4, Cs2 Ag Nb S4, K2 Ag Ta S4, Rb2 Ag Ta S4 and Cs2 Ag Ta S4
European Journal of Solid State Inorganic Chemistry, 1997, 34, 1119-1131
4027804 CIFAg Cs2 S4 TaF d d d :25.976; 14.098; 24.61
90; 90; 90
2073.38Gabl, G.; Klepp, K.O.
New complex sulfides of the heavy Va-metals with pseudo-onedimensional structures: preparation and structural characterization of K2 Ag Nb S4, Cs2 Ag Nb S4, K2 Ag Ta S4, Rb2 Ag Ta S4 and Cs2 Ag Ta S4
European Journal of Solid State Inorganic Chemistry, 1997, 34, 1119-1131
4027809 CIFAg K2 Nb S4F d d d :25.913; 13.201; 22.645
90; 90; 90
1767.61Klepp, K.O.; Gabl, G.
New complex sulfides of the heavy Va-metals with pseudo-onedimensional structures: preparation and structural characterization of K2 Ag Nb S4, Cs2 Ag Nb S4, K2 Ag Ta S4, Rb2 Ag Ta S4 and Cs2 Ag Ta S4
European Journal of Solid State Inorganic Chemistry, 1997, 34, 1119-1131
4027810 CIFAg K2 S4 TaF d d d :25.929; 13.197; 22.645
90; 90; 90
1771.86Klepp, K.O.; Gabl, G.
New complex sulfides of the heavy Va-metals with pseudo-onedimensional structures: preparation and structural characterization of K2 Ag Nb S4, Cs2 Ag Nb S4, K2 Ag Ta S4, Rb2 Ag Ta S4 and Cs2 Ag Ta S4
European Journal of Solid State Inorganic Chemistry, 1997, 34, 1119-1131
4027811 CIFAg Rb2 S4 TaF d d d :25.953; 13.56; 23.5
90; 90; 90
1896.98Gabl, G.; Klepp, K.O.
New complex sulfides of the heavy Va-metals with pseudo-onedimensional structures: preparation and structural characterization of K2 Ag Nb S4, Cs2 Ag Nb S4, K2 Ag Ta S4, Rb2 Ag Ta S4 and Cs2 Ag Ta S4
European Journal of Solid State Inorganic Chemistry, 1997, 34, 1119-1131
4030505 CIFCu K2 Se4 TaF d d d :25.735; 13.481; 23.941
90; 90; 90
1851Lu, Y.-J.; Wu, P.; Ibers, J. A.
Synthesis of the new one-dimensional quaternary compound K2CuTaSe4 and its structural relationship to other compounds in the K/Cu/M/Q (M = Nb, Ta; Q = S, Se) system
European Journal of Solid State and Inorganic Chemistry, 1993, 30, 101-110
4030801 CIFCs0.64 I16 La9 N4 Na0.36F d d d :28.98; 22.91; 43.61
90; 90; 90
8972Lulei, M.; Corbett, J. D.
A new rare-earth-metal nitride halide with unusual structural features: CsxNa(1-x)La9I16N4 - with a remark about the stoichiometric compounds ALa9I16N4 (A = Na, Rb, Cs)
European Journal of Solid State and Inorganic Chemistry, 1996, 33, 241-250
4030899 CIFCu Rb2 S4 VF d d d :25.448; 13.31; 23.431
90; 90; 90
1699Rumpf, C.; Tillinski, R.; Nather, C.; Durichen, P.; Jeb, I.; Bensch, W.
Synthesis, crystal structures and optical properties of new quaternary chalcogenides of Va metals : Rb2CuVS4, K2CuVSe4, Rb2CuNbSe4, Cs2CuNbSe4 and Rb2CuNbS4
European Journal of Solid State and Inorganic Chemistry, 1997, 34, 1187-1198
4030900 CIFCu K2 Se4 VF d d d :25.6312; 13.264; 23.468
90; 90; 90
1752.9Rumpf, C.; Tillinski, R.; Nather, C.; Durichen, P.; Jeb, I.; Bensch, W.
Synthesis, crystal structures and optical properties of new quaternary chalcogenides of Va metals : Rb2CuVS4, K2CuVSe4, Rb2CuNbSe4, Cs2CuNbSe4 and Rb2CuNbS4
European Journal of Solid State and Inorganic Chemistry, 1997, 34, 1187-1198
4030901 CIFCu Nb Rb2 S4F d d d :25.5924; 13.498; 23.839
90; 90; 90
1799.5Rumpf, C.; Tillinski, R.; Nather, C.; Durichen, P.; Jeb, I.; Bensch, W.
Synthesis, crystal structures and optical properties of new quaternary chalcogenides of Va metals : Rb2CuVS4, K2CuVSe4, Rb2CuNbSe4, Cs2CuNbSe4 and Rb2CuNbS4
European Journal of Solid State and Inorganic Chemistry, 1997, 34, 1187-1198
4030902 CIFCu Nb Rb2 Se4F d d d :25.7796; 13.887; 24.609
90; 90; 90
1975.2Rumpf, C.; Tillinski, R.; Nather, C.; Durichen, P.; Jeb, I.; Bensch, W.
Synthesis, crystal structures and optical properties of new quaternary chalcogenides of Va metals : Rb2CuVS4, K2CuVSe4, Rb2CuNbSe4, Cs2CuNbSe4 and Rb2CuNbS4
European Journal of Solid State and Inorganic Chemistry, 1997, 34, 1187-1198
4030903 CIFCs2 Cu Nb Se4F d d d :25.8041; 14.486; 25.418
90; 90; 90
2137.1Rumpf, C.; Tillinski, R.; Nather, C.; Durichen, P.; Jeb, I.; Bensch, W.
Synthesis, crystal structures and optical properties of new quaternary chalcogenides of Va metals : Rb2CuVS4, K2CuVSe4, Rb2CuNbSe4, Cs2CuNbSe4 and Rb2CuNbS4
European Journal of Solid State and Inorganic Chemistry, 1997, 34, 1187-1198

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