Crystallography Open Database

Result: there are 534 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching space group like 'P 31 2 1'

Blue left arrow Blue left arrow First | Blue left arrow Previous 100 | of 6 | Next 100 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
7122682 CIFC30 H18 Fe N6 S2P 31 2 118.3693; 18.3693; 15.2441
90; 90; 120		4454.7Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais
Molecular tectonics: from a rigid achiral organic tecton to 3D chiral Co and Fe coordination networks” that I propose for publication in Chemical Communications
Chemical Communications, 2018
7123357 CIFC129 H144 N6 O6P 31 2 119.6416; 19.6416; 23.8212
90; 90; 120		7958.8Hooper, Reagan; Mason, Alexander; Montgomery, Maleek; Clinebell, Braden; Gaynor, Ryan; McMillen, Colin; Tapu, Daniela
A stable Cerberus tris(maloNHC) and its coinage metal complexes
Chemical Communications, 2019
7124858 CIFC55.18 H49.76 B2 Cl3.96 Cu2 F8 Mo4 N4.6 O8 P4P 31 2 113.2466; 13.2466; 38.4491
90; 90; 120		5842.9Elsayed Moussa, M.; Attenberger, B.; Peresypkina, E. V.; Fleischmann, M.; Balázs, G; Scheer, M.
Facile synthesis of one-dimensional organometallic-organic hybrid polymers based on a diphosphorus complex and flexible bipyridyl linkers.
Chemical communications (Cambridge, England), 2016, 52, 10004-10007
7126248 CIFC9 H11 N O5 SP 31 2 17.1576; 7.1576; 37.3509
90; 90; 120		1657.17Liu, Gongyi; Zhang, Xianghe; Wang, Heng; Cong, Hengjiang; Zhang, Xumu; Dong, Xiu-Qin
Synthesis of chiral α-substituted α-amino acid and amine derivatives through Ni-catalyzed asymmetric hydrogenation.
Chemical communications (Cambridge, England), 2020, 56, 4934-4937
7126761 CIFC19 H20 O4P 31 2 112.8198; 12.8198; 27.9907
90; 90; 120		3983.89Sun, Siyuan; Nagorny, Pavel
Exploration of chiral diastereomeric spiroketal (SPIROL)-based phosphinite ligands in asymmetric hydrogenation of heterocycles.
Chemical communications (Cambridge, England), 2020, 56, 8432-8435
7128951 CIFC114 H150 Mn6 N54 O30 W3P 31 2 119.0123; 19.0123; 12.4699
90; 90; 120		3903.58Magott, Michał; Pinkowicz, Dawid
Chiral porous CN-bridged coordination polymer mimicking MOF-74 and showing magnetization photoswitching.
Chemical communications (Cambridge, England), 2021, 57, 9926-9929
7128952 CIFC22.8 H30 Mn1.2 N10.8 W0.6P 31 2 118.6385; 18.6385; 12.3021
90; 90; 120		3701.11Magott, Michał; Pinkowicz, Dawid
Chiral porous CN-bridged coordination polymer mimicking MOF-74 and showing magnetization photoswitching.
Chemical communications (Cambridge, England), 2021, 57, 9926-9929
7129110 CIFC126 H108 B7 F34 Fe6 N32P 31 2 126.433; 26.433; 22.1827
90; 90; 120		13422.6Taylor, Lauren L. K.; Vitorica-Yrezabal, Iñigo J; Borilović, Ivana; Tuna, Floriana; Riddell, Imogen A.
Self-assembly of a trigonal bipyramidal architecture with stabilisation of iron in three spin states.
Chemical communications (Cambridge, England), 2021, 57, 11252-11255
7129112 CIFC126 H108 B7 F34 Fe6 N32P 31 2 126.679; 26.679; 21.8284
90; 90; 120		13455Taylor, Lauren L. K.; Vitorica-Yrezabal, Iñigo J; Borilović, Ivana; Tuna, Floriana; Riddell, Imogen A.
Self-assembly of a trigonal bipyramidal architecture with stabilisation of iron in three spin states.
Chemical communications (Cambridge, England), 2021, 57, 11252-11255
7130189 CIFC38 H32 N2 O2 ZnP 31 2 18.636; 8.636; 34.785
90; 90; 120		2246.7Ikeshita, Masahiro; Mizugaki, Momo; Ishikawa, Takahiro; Matsudaira, Kana; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi
Sign control of circularly polarized luminescence of chiral Schiff-base Zn(II) complexes through coordination geometry changes
Chemical Communications, 2022
7132716 CIFC20 H38 K16 N2 Na10.5 O218 P7 W39 Zr3P 31 2 122.6518; 22.6518; 75.9558
90; 90; 120		33751.8Yang, Dongsheng; Liu, Lihua; Zhang, Yunfan; Zhang, Miao; Ma, Pengtao; Wang, Jingping; Niu, Jingyang
A wheel-shaped Zr-substituted phosphotungstate [{Zr(C<sub>2</sub>O<sub>4</sub>)<sub>2</sub>}<sub>3</sub> (PO<sub>4</sub>)(P<sub>6</sub>W<sub>39</sub>O<sub>150</sub>)]<sup>39-</sup> with tunable proton conduction properties.
Chemical communications (Cambridge, England), 2024, 60, 3043-3046
7133591 CIFC42 H63 Bi Cl2P 31 2 110.7948; 10.7948; 30.6951
90; 90; 120		3097.6Kuziola, Jennifer; Nöthling, Nils; Leutzsch, Markus; Cornella, Josep
Synthesis and characterization of chlorotriarylbismuthonium salts.
Chemical communications (Cambridge, England), 2024, 60, 10532-10535
7151199 CIFC15 H26 N6P 31 2 18.689; 8.689; 17.1794
90; 90; 120		1123.25Coles, Martyn P.; Lee, Steven F.; Oakley, Sarah H.; Estiu, Guillermina; Hitchcock, Peter B.
Nucleophilic activity of a linked bis{guanidine} leading to formation of a dicationic C4N4-heterocycle.
Organic & biomolecular chemistry, 2007, 5, 3909-3911
7153080 CIFC26 H21 Br N2 O2P 31 2 19.7691; 9.7691; 39.742
90; 90; 120		3284.7Zhang, Han-Ming; Lv, Hui; Ye, Song
N-Heterocyclic carbene-catalyzed highly enantioselective synthesis of substituted dihydropyranopyrazolones.
Organic & biomolecular chemistry, 2013, 11, 6255-6257
7153183 CIFC28 H46 Br2 Fe N2 O5P 31 2 111.1187; 11.1187; 22.218
90; 90; 120		2378.7Plancq, Baptiste; Lafantaisie, Mathieu; Companys, Simon; Maroun, Cendrella; Ollevier, Thierry
Highly enantioselective iron(ii)-catalyzed opening reaction of aromatic meso-epoxides with indoles.
Organic & biomolecular chemistry, 2013, 11, 7463-7466
7153728 CIFC27 H29 N O2P 31 2 111.23757; 11.23757; 31.9939
90; 90; 120		3498.99Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.
Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.
Organic & biomolecular chemistry, 2014, 12, 2702-2728
7157621 CIFC40 H35 N7 O12P 31 2 119.7672; 19.7672; 23.6968
90; 90; 120		8018.8He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong
A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.
Organic & biomolecular chemistry, 2020, 18, 6155-6161
7159983 CIFC80.41 H60 Cl4 N4 O2 ZnP 31 2 114.3914; 14.3914; 27.1211
90; 90; 120		4864.57Kumar, Sundaravel Vivek; Olusegun, Jeremiah; Guiry, Patrick J.
Zn(II)-catalyzed asymmetric [3 + 2] cycloaddition of acyclic enones with azomethine ylides.
Organic & biomolecular chemistry, 2024, 22, 7148-7153
7202006 CIFC14 H15 In3 N4 O20P 31 2 111.2168; 11.2168; 19.176
90; 90; 120		2089.4Han, Zheng-Bo; He, Yong-Ke; Tong, Ming-Liang; Song, Yong-Juan; Song, Xi-Ming; Yang, Li-Guo
Spontaneously resolved 3D homochiral In(III) coordination polymer with extended In-OH-In helical chains
CrystEngComm, 2008, 10, 1070
7202510 CIFC100 H126 N4 Ni2 O9P 31 2 125.531; 25.531; 14.907
90; 90; 120		8415Chen, Zhen-Feng; Zhang, Shu-Feng; Luo, Hai-Sheng; Abrahams, Brendan F.; Liang, Hong
Ni2(R*COO)4(H2O)(4,4?-bipy)2?a robust homochiral quartz-like network with large chiral channels
CrystEngComm, 2007, 9, 27
7202863 CIFC19 H18 N2 Ni O7P 31 2 111.2742; 11.2742; 13.5885
90; 90; 120		1495.8Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei
Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework
CrystEngComm, 2007, 9, 653
7203272 CIFC16.5 H27.5 O2P 31 2 113.773; 13.773; 6.998
90; 90; 120		1149.6Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.
Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule
CrystEngComm, 2006, 8, 250
7206483 CIFC40 H47 K N4 Ni2 O10P 31 2 118.19; 18.19; 11.78
90; 90; 120		3376Mousavi, Maliheh; Béreau, Virginie; Costes, Jean-Pierre; Duhayon, Carine; Sutter, Jean-Pascal
Oligomeric and polymeric organizations of potassium salts with compartmental Schiff-base complexes as ligands
CrystEngComm, 2011, 13, 5908
7206831 CIFC37 H46 Br2 N6 O5.5 ZnP 31 2 113.37139; 13.37139; 41.4227
90; 90; 120		6413.9Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon
Zinc(ii) coordination polymers with pseudopeptidic ligands
CrystEngComm, 2011, 13, 6997
7208008 CIFC12 H10 N2 O6 ZnP 31 2 111.9088; 11.9088; 8.3166
90; 90; 120		1021.44Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu
Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding
CrystEngComm, 2012, 14, 4165
7208010 CIFC12 H10 N2 O6 ZnP 31 2 111.8429; 11.8429; 8.2715
90; 90; 120		1004.7Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu
Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding
CrystEngComm, 2012, 14, 4165
7208011 CIFC12 H10 N2 O6 ZnP 31 2 111.9194; 11.9194; 8.3261
90; 90; 120		1024.43Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu
Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding
CrystEngComm, 2012, 14, 4165
7208012 CIFC12 H10 N2 O6 ZnP 31 2 111.9329; 11.9329; 8.3384
90; 90; 120		1028.3Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu
Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding
CrystEngComm, 2012, 14, 4165
7208013 CIFC12 H10 N2 O6 ZnP 31 2 111.9072; 11.9072; 8.3161
90; 90; 120		1021.1Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu
Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding
CrystEngComm, 2012, 14, 4165
7208017 CIFC12 H10 N2 O6 ZnP 31 2 111.9109; 11.9109; 8.3215
90; 90; 120		1022.4Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu
Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding
CrystEngComm, 2012, 14, 4165
7210440 CIFC84 H90 Cd3 N12 O12 S6P 31 2 111.9375; 11.9375; 17.2686
90; 90; 120		2131.2Hou, Yuan-Feng; Yu, Yang; Yue, Ke-Fen; Wei, Qing; Liu, Yong-Liang; Zhou, Chun-Sheng; Wang, Yao-Yu
Two unique entangling ZnII/CdII coordination frameworks featuring multiform helical motifs based on long mixed ligands
CrystEngComm, 2013, 15, 7161
7214301 CIFC38 H32 Cu2 N10 O4 ZnP 31 2 111.44; 11.44; 24.485
90; 90; 120		2775.1Das, Lakshmi Kanta; Kirillov, Alexander M.; Ghosh, Ashutosh
Discrete 0D and polymeric 2D and 3D derivatives assembled from [(CuL)2Zn]2+ and dicyanamide blocks (H2L = salen type Schiff bases): Genuine supramolecular isomers with distinct topologies
CrystEngComm, 2014, 16, 3029
7215879 CIFC4 H4 Cs O6 RbP 31 2 17.2835; 7.2835; 13.2453
90; 90; 120		608.52Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, M.
Interplay between hydrogen bonding and metal coordination in alkali metal tartrates and hydrogen tartrates
CrystEngComm, 2014
7217807 CIFC4 H7 N3 O7.5 PrP 31 2 18.8263; 8.8263; 9.91
90; 90; 120		668.59Zhang, Xiaoping; Xu, Na; Zhang, Shiyuan; Zhao, Xiao-Qing; Cheng, Peng
From 1D Zigzag Chains to 3D Chiral Frameworks: Synthesis and Properties of Praseodymium(III) and Neodymium(III) Coordination Polymers
RSC Advances, 2014
7217808 CIFC4 H7 N3 Nd O7.5P 31 2 18.7561; 8.7561; 9.855
90; 90; 120		654.35Zhang, Xiaoping; Xu, Na; Zhang, Shiyuan; Zhao, Xiao-Qing; Cheng, Peng
From 1D Zigzag Chains to 3D Chiral Frameworks: Synthesis and Properties of Praseodymium(III) and Neodymium(III) Coordination Polymers
RSC Advances, 2014
7218245 CIFC54 H82 Co4 N2 O39P 31 2 116.719; 16.719; 24.598
90; 90; 120		5954.6Zhang, Hang; Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang
Four coordination polymers constructed by a novel octacarboxylate functionalized calix[4]arene ligand: syntheses, structures, and photoluminescence property
CrystEngComm, 2014, 16, 9939
7218246 CIFC54 H82 N2 Ni4 O39P 31 2 116.719; 16.719; 24.598
90; 90; 120		5954.6Zhang, Hang; Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang
Four coordination polymers constructed by a novel octacarboxylate functionalized calix[4]arene ligand: syntheses, structures, and photoluminescence property
CrystEngComm, 2014, 16, 9939
7219204 CIFC75 H84 Mn3 N30 O18P 31 2 19.6197; 9.6197; 28.4217
90; 90; 120		2277.74Yu, Fan; Xiang, Mi; Li, Ai-hua; Zhang, Yu-min; Li, Bao
Structural diversities and magnetic properties of azide-containing coordination polymers based on flexible tetra-pyridinate ligands
CrystEngComm, 2015, 17, 1556
7219473 CIFC15 H9 N9P 31 2 110.4339; 10.4339; 21.467
90; 90; 120		2023.9Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee
Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine
CrystEngComm, 2015, 17, 2190
7219829 CIFC52 H56 Cl4 Fe3 N11 O4P 31 2 116.3482; 16.3482; 19.5011
90; 90; 120		4513.7Gungor, Elif; Yahsi, Yasemin; Kara, Hulya; Caneschi, Andrea
The first 3D and trinuclear cyano-bridged FeIII‒FeIII(CN)6complexes: structure and magnetic characterizations
CrystEngComm, 2015, 17, 3082
7219940 CIFC30 H34 Co2 N2 O15 S2P 31 2 119.851; 19.851; 9.876
90; 90; 120		3370.4Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua
Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand
CrystEngComm, 2015, 17, 3162
7221654 CIFC12 H20 Cl Cu N3 O7P 31 2 112.3073; 12.3073; 19.1117
90; 90; 120		2507.01Bhunia, Apurba; Manna, Soumen; Mistri, Soumen; Paul, Aparup; Manne, Rajesh Kumar; Santra, Manas Kumar; Bertolasi, Valerio; Manna, Subal Chandra
Synthesis, characterization, TDDFT calculation and biological activity of tetradentate ligand based square pyramidal Cu(II) complexes
RSC Adv., 2015
7225796 CIFC28 H38 N6 Ni O11P 31 2 114.792; 14.792; 18.957
90; 90; 120		3592.1Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.
Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands
CrystEngComm, 2016, 18, 6614
7225797 CIFC28 H56 Co N6 O20P 31 2 114.78; 14.78; 19.179
90; 90; 120		3628.3Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.
Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands
CrystEngComm, 2016, 18, 6614
7228410 CIFBa Cu2 Ge S4P 31 2 16.2092; 6.2092; 15.52
90; 90; 120		518.2Nian, Leyan; Huang, Junben; Wu, Kui; Su, Zhi; Yang, Zhihua; Pan, Shilie
BaCu2MIVQ4 (MIV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations
RSC Adv., 2017, 7, 29378
7228411 CIFBa Cu2 Ge Se4P 31 2 16.5014; 6.5014; 16.266
90; 90; 120		595.42Nian, Leyan; Huang, Junben; Wu, Kui; Su, Zhi; Yang, Zhihua; Pan, Shilie
BaCu2MIVQ4 (MIV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations
RSC Adv., 2017, 7, 29378
7228524 CIFSeP 31 2 14.3125; 4.3125; 4.9711
90; 90; 120		80.065Boeré, René; Hill, Nathan D. D.
High Z’ structures of 1,2,3,5-dithiadiazolyls and of 1,2,3,5-diselenadiazolyls containing the first structurally characterized monomeric diselenadiazolyls
CrystEngComm, 2017
7228960 CIFC30 H30 F3 N3 O3P 31 2 111.1476; 11.1476; 38.1525
90; 90; 120		4105.98Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhang, Xiaohong; Zhou, Xiangge; Xiang, Haifeng
Chiral and non-conjugated fluorescent salen ligands: AIE, anion probes, chiral recognition of unprotected amino acids, and cell imaging applications
RSC Adv., 2017, 7, 40640
7230695 CIFC6 Br6 Cd Mo6 N6 O4 Se2P 31 2 113.2807; 13.2807; 14.1753
90; 90; 120		2165.23Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane
Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties
CrystEngComm, 2018, 20, 3396
7230699 CIFC6 Br6 Cd Mo6 N6 O4 S2P 31 2 113.2013; 13.2013; 14.1296
90; 90; 120		2132.52Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane
Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties
CrystEngComm, 2018, 20, 3396
7233702 CIFB7 Li4 O14 Rb3P 31 2 16.8765; 6.8765; 25.923
90; 90; 120		1061.6Zhang, Bingbing; Yang, Zhihua; Yang, Yun; Lee, Ming-Hsien; Pan, Shilie; Jing, Qun; Su, Xin
p–(p,π*) interaction mechanism revealing and accordingly designed new member in deep-ultraviolet NLO borates Li~n~M~n-1~B~2n-1~O~4n-2~ (M = Cs/Rb, n = 3, 4, 6)
Journal of Materials Chemistry C, 2014, 2, 4133-4141
7234120 CIFC68 H82 Cl2 N6 O7 Pt2P 31 2 131.521; 31.521; 7.118
90; 90; 120		6124.8Xiao-Peng Zhang; Jin-Feng Mei; Jian-Cheng Lai; Cheng-Hui Li; Xiao-Zeng You
Mechano-induced luminescent and chiroptical switching in chiral cyclometalated platinum(ii) complexes
Journal of Materials Chemistry C, 2015, 3, 2350-2357
7235113 CIFBa Cu3 D2 O10 V2P 31 2 15.917849; 5.917849; 20.75995
90; 90; 120		629.629David Boldrin; Kevin Knight; Andrew S. Wills
Orbital frustration in the S = 1/2 kagome magnet vesignieite, BaCu3V2O8(OH)2
Journal of Materials Chemistry C, 2016, 4, 10315-10322
7241946 CIFC54 H38 N4 O14 Zn3P 31 2 114.0232; 14.0232; 25.446
90; 90; 120		4333.6Wang, Xiao-Qing; Tang, Jing; Ma, Xuehui; Wu, Dan; Yang, Jie
A water-stable zinc(ii)‒organic framework as an “on‒off‒on” fluorescent sensor for detection of Fe3+ and reduced glutathione
CrystEngComm, 2021, 23, 1243-1250
7242481 CIFH6 Na3 O27 S6 Y3P 31 2 16.8191; 6.8191; 12.7035
90; 90; 120		511.57Wu, Chao; Lin, Lin; Wu, Tianhui; Huang, Zhipeng; Zhang, Chi
Deep-ultraviolet transparent alkali metal‒rare earth metal sulfate NaY(SO4)2·H2O as a nonlinear optical crystal: synthesis and characterization
CrystEngComm, 2021, 23, 2945-2951
7245833 CIFC24 H24 Cl6 Ga2 N4P 31 2 110.0853; 10.0853; 24.8734
90; 90; 120		2191.01Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.
Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands
CrystEngComm, 2022
7249643 CIFC18 H32 Cu2 N8 O10P 31 2 18.56884; 8.56884; 30.61946
90; 90; 120		1947.03Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judas, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matkovic-Calogovic, Dubravka
Robustness and stability of the L-carnosine copper(II) dimer. Changes in the copper coordination sphere upon heating/solvent substitution
CrystEngComm, 2024
7249644 CIFC18 H32 Cu2 N8 O10P 31 2 18.61755; 8.61755; 30.5882
90; 90; 120		1967.22Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judas, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matkovic-Calogovic, Dubravka
Robustness and stability of the L-carnosine copper(II) dimer. Changes in the copper coordination sphere upon heating/solvent substitution
CrystEngComm, 2024
7249646 CIFC18 H26 Cu2 N8 O7P 31 2 18.3611; 8.3611; 30.45
90; 90; 120		1843.5Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judas, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matkovic-Calogovic, Dubravka
Robustness and stability of the L-carnosine copper(II) dimer. Changes in the copper coordination sphere upon heating/solvent substitution
CrystEngComm, 2024
7249648 CIFC25.5 H54 Cu2 N8 O13.5P 31 2 113.3717; 13.3717; 36.41
90; 90; 120		5638Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judas, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matkovic-Calogovic, Dubravka
Robustness and stability of the L-carnosine copper(II) dimer. Changes in the copper coordination sphere upon heating/solvent substitution
CrystEngComm, 2024
7701633 CIFC23.05 H22.1 Au Cl2.3 N3 P S0.35P 31 2 110.9905; 10.9905; 34.6093
90; 90; 120		3620.41Seifert, Tim P.; Bestgen, Sebastian; Feuerstein, Thomas J.; Lebedkin, Sergei; Krämer, Felix; Fengler, Christian; Gamer, Michael T.; Kappes, Manfred M.; Roesky, Peter W.
Phosphine-substituted 1,2,3-triazoles as P,C- and P,N-ligands for photoluminescent coinage metal complexes.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 15427-15434
7702132 CIFC18 H21 Br Cl2 N2 ZnP 31 2 114.1615; 14.1615; 22.7112
90; 90; 120		3944.48Simler, Thomas; Danopoulos, Andreas A.; Braunstein, Pierre
Non-symmetrical, potentially redox non-innocent imino NHC pyridine 'pincers' via a zinc ion template-assisted synthesis.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 5955-5964
7702829 CIFC42 H51 B2 Cu2 N12 O14P 31 2 112.02; 12.02; 57.228
90; 90; 120		7161Hammes, Brian S.; Luo, Xuemei; Chohan, Balwant S.; Carrano, Mary W.; Carrano, Carl J.
Metal complexes of 3-carboxyethyl substituted trispyrazolylborates: interactions with the ester carbonyl oxygens
Journal of the Chemical Society, Dalton Transactions, 2002, 3374
7702987 CIFC56 H56 Al Cl4 Ga N4 P2P 31 2 112.6494; 12.6494; 58.6453
90; 90; 120		8126.5Goswami, Bhupendra; Yadav, Ravi; Schoo, Christoph; Roesky, Peter W.
Neutral and cationic enantiopure group 13 iminophosphonamide complexes.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 675-681
7702988 CIFC56 H56 Al Cl4 Ga N4 P2P 31 2 112.6047; 12.6047; 58.597
90; 90; 120		8062.5Goswami, Bhupendra; Yadav, Ravi; Schoo, Christoph; Roesky, Peter W.
Neutral and cationic enantiopure group 13 iminophosphonamide complexes.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 675-681
7705960 CIFAl B5 Cs2 O10P 31 2 17.029; 7.029; 20.97
90; 90; 120		897.3Baiheti, Tuohetijiang; Han, Shujuan; Jin, Wenqi; Yang, Zhihua; Pan, Shilie
Cs<sub>2</sub>AlB<sub>5</sub>O<sub>10</sub>: a short-wavelength nonlinear optical crystal with moderate second harmonic generation response.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 822-825
7706253 CIFC21 H22 N6P 31 2 19.0638; 9.0638; 22.3036
90; 90; 120		1586.81Knippen, Katharina; Bredenkötter, Björn; Kanschat, Lisa; Kraft, Maryana; Vermeyen, Tom; Herrebout, Wouter; Sugimoto, Kunihisa; Bultinck, Patrick; Volkmer, Dirk
CFA-18: a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 15758-15768
7706255 CIFC27 H34 Cl2 Mn2 N8 O2P 31 2 117.344; 17.344; 8.807
90; 90; 120		2294.3Knippen, Katharina; Bredenkötter, Björn; Kanschat, Lisa; Kraft, Maryana; Vermeyen, Tom; Herrebout, Wouter; Sugimoto, Kunihisa; Bultinck, Patrick; Volkmer, Dirk
CFA-18: a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 15758-15768
7707829 CIFC52 H40 Cd N10 O4P 31 2 119.293; 19.293; 11.797
90; 90; 120		3802.8Zivkovic, Kristina; Baldauf, Lilia M.; Cryder, Jessica L.; Villaseñor, Alexa; Reyes, Valeria; Bernier, Lauren E.; Thomas, Theresa J.; O'Toole, Maxwell; Fulton, Kayleen; Moore, Curtis E.; Rheingold, Arnold L.; Daley, Christopher J. A.
Chiral tridentate bis(oxazol-2-ylimino) isoindoline-based pincer ligands: isolation and characterization <i>via</i> deligation from <i>in situ</i> prepared Cd-ligand complexes.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 10041-10049
7709613 CIFC31 H39 Al I2 N2P 31 2 115.276; 15.276; 12.183
90; 90; 120		2462.1Roesky, Herbert W.; Kumar, Arun; Banerjee, Samya; Sharma, Nishant; Nazish, Mohd; Graw, Nico; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar
Synthesis and computational aspects of Al(II)-Al(II) and Ga(II)-Ga(II) dihalides based on an amidinate scaffold
Dalton Transactions, 2022
7710249 CIFC54 H84 Cl9 In N6P 31 2 117.0073; 17.0073; 39.207
90; 90; 120		9821.2Qi, Siming; Ge, Fei; Han, Xiao; Cheng, Puxin; Shi, Rongchao; Liu, Chao; Zheng, Yongshen; Xin, Mingyang; Xu, Jialiang
0D Chiral Hybrid Indium(III) Halides for Second Harmonic Generation
Dalton Transactions, 2022
7711301 CIFC18 H14 Gd N O8P 31 2 113.7512; 13.7512; 22.9369
90; 90; 120		3756.2Zhang, Xiao-Nuan; Chen, Bo-Chen; Zhang, Jia-Li; Zhang, Jialin; Liu, Sui-Jun; Wen, He-Rui
Anionic lanthanide metal-organic frameworks with magnetism, fluorescence, proton conductivity and selective adsorption of cationic dye
Dalton Transactions, 2022
7712495 CIFC28 H32 N2 OP 31 2 110.5622; 10.5622; 37.6815
90; 90; 120		3640.55Dissanayake, Deepamali; Forsyth, Craig M.; Vidovic, Dragoslav
Synthesis, Characterisation and Reactivity studies of Chiral β-Diketiminate-like Supported Aluminium Lewis Acid Complexes Towards Difficult Diels Alder Cycloadditions
Dalton Transactions, 2023
7713483 CIFC42 H62 Cl6 N2 O6 VP 31 2 115.2509; 15.2509; 18.9173
90; 90; 120		3810.49Martinez, Roxanna; Jackson, Cassidy E.; Üngör, Ökten; van Tol, Johan; Zadrozny, Joseph
Impact of Ligand Chlorination and Counterion Tuning on High-Field Spin Relaxation in a Series of V(IV) Complexes
Dalton Transactions, 2023
7713659 CIFC31 H42 B Cl F4 Fe N2 O2 P2P 31 2 120.046; 20.046; 7.9727
90; 90; 120		2774.5Schratzberger, Heiko; Liebminger, Lorenzo A.; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl
Base Metal Complexes featuring a New Pyrazole-Derived PCP-Pincer Ligand
Dalton Transactions, 2023
7714460 CIFC79 H50 N6 O32 S3 Zr6P 31 2 123.3248; 23.3248; 32.71
90; 90; 120		15411.6Xia, Jun; Si, Jincheng; Zhou, Kang; Xia, Hai-Lun; Zhang, Jian; Xu, Yingqian; Wang, Lei; Liu, Xiao-Yuan
Carboxyl Position Directed Structure Diversity in Zirconium-Tricarboxylate Frameworks
Dalton Transactions, 2023
7717074 CIFC12 H10 Cl Cu N4 O6P 31 2 18.5947; 8.5947; 17.7141
90; 90; 120		1133.21Kuilya, Hemrupa; Das, Pranjal; Basak, Swati; Sarma, Debajit; Mazumdar, Pradyumna; Choudhury, Diganta; Kalita, Apurba
Effect of ligand substituents on the reactivity conduits of copper (II) complexes towards electrocatalytic water oxidation
Dalton Transactions, 2024
8102259 CIFC12 H22 N4 O7 ZnP 31 2 114.803; 14.803; 7.0721
90; 90; 120		1342.1Ming Lv
Crystal structure of poly[[bis(2-methyl-1H-imidazole)-zinc(II)-succinato] trihydrate], Zn(C4H4O4)(C4H6N2)2 · 3H2O
Zeitschrift für Kristallographie - New Crystal Structures, 2008, 223, 131
8103470 CIFB O4 PP 31 2 14.4605; 4.4605; 9.9
90; 90; 120		170.582Haines, J.; Chateau, C.; Astier, R.; Fertey, P.; Cambon, O.
Crystal structures of alpha-quartz homeotypes boron phosphate and boron arsenate: structure - property relationships
Zeitschrift fuer Kristallographie (149,1979-), 2004, 219, 32-37
8103513 CIFO2 SiP 31 2 14.583; 4.583; 5.189
90; 90; 120		94.387Kim-Zajonz, J.; Werner, S.; Schulz, H.
High pressure single crystal X-ray diffraction study on alpha-quartz
Zeitschrift fuer Kristallographie (149,1979-), 1999, 214, 324-330
8103599 CIFH12 I6 N4 ZnP 31 2 19.307; 9.307; 17.168
90; 90; 120		1287.86Tebbe, K. F.
Untersuchungen von Polyhalogeniden, die Kristallstruktur des Tetramminzink(II)-Hexaiodids (Zn (N H3) 4) (I3)2
Zeitschrift fuer Kristallographie (149,1979-), 1980, 153, 297-306
8103887 CIFFe O4 PP 31 2 15.13461; 5.13461; 11.3465
90; 90; 120		259.064Haines, J.; Cambon, O.; Hull, S.
Neutron diffraction study of quartz-type Fe P O4: high-temperature behavior and alpha-beta phase transition
Zeitschrift fuer Kristallographie (149,1979-), 2003, 218, 193-200
8103888 CIFAs B O4P 31 2 14.547; 4.547; 10.304
90; 90; 120		184.496Haines, J.; Cambon, O.; Chateau, C.; Astier, R.; Fertey, P.
Crystal structures of alpha-quartz homeotypes boron phosphate and boron arsenate: structure - property relationships
Zeitschrift fuer Kristallographie (149,1979-), 2004, 219, 32-37
8104291 CIFAl As O4P 31 2 15.067; 5.067; 11.258
90; 90; 120		250.319Baumgartner, O.; Preisinger, A.; Behmer, M.
Die Kristallstruktur von Al As O4 bei 20 C, 500 C und 750 C
Zeitschrift fuer Kristallographie (149,1979-), 1989, 187, 125-131
8104321 CIFMn2 O7 Sb2P 31 2 17.1913; 7.1913; 17.402
90; 90; 120		779.372Scott, H.G.
Refinement of the crystal structure of the manganous antimonate Mn2 Sb2 O7 with neutron powder diffraction data by the profile decomposition method
Zeitschrift fuer Kristallographie (149,1979-), 1990, 190, 41-46
9000874 CIFCa0.84 Ce0.595 Fe Na0.31 Nb0.524 O14 Ta0.316 Th0.265 Ti2.16 Zr2P 31 2 17.287; 7.287; 16.886
90; 90; 120		776.524Mazzi, F.; Munno, R.
Calciobetafite (new mineral of the pyrochlore group) and related minerals from Campi Flegrei, Italy; crystal structures of polymignyte and zirkelite: comparison with pyrochlore and zirconolite Note: B(2,3) for Ti61 has been changed to satisfy symmetry constraints
American Mineralogist, 1983, 68, 262-276
9007659 CIFNi53 S54P 31 2 110.29; 10.29; 15.993
90; 90; 120		1466.53Collin, G.; Chavant, C.; Comes, R.
Structure and planar faults in the defective NiAs-type compound Ni17S18
Acta Crystallographica, Section B, 1983, 39, 289-296
9007717 CIFCa2 Na2 O9 Si3P 31 2 110.464; 10.464; 13.168
90; 90; 120		1248.67Ohsato, H.; Takeuchi, Y.; Maki, I.
Structure of Na4Ca4[Si6O18]
Acta Crystallographica, Section C, 1986, 42, 934-937
9007720 CIFCa3.8 Na4.4 O18 Si6P 31 2 110.464; 10.464; 13.176
90; 90; 120		1249.42Fischer, R. X.; Tillmanns, E.
Revised data for combeite, Na2Ca2Si3O9
Acta Crystallographica, Section C, 1987, 43, 1852-1854
9008050 CIFAl As O4P 31 2 15.03; 5.03; 11.22
90; 90; 120		245.844Machatschki, F.
Die kristallstruktur von tiefquarz SiO2 und aluminiumorthoarsenat AlAsO4
Zeitschrift fur Kristallographie, 1936, 94, 222-230
9008088 CIFBi O4 PP 31 2 16.966; 6.966; 6.46
90; 90; 120		271.475Mooney-Slater R C L
Polymorphic forms of bismuth phosphate
Zeitschrift fur Kristallographie, 1962, 117, 371-385
9008093 CIFO2 SiP 31 2 15.01; 5.01; 5.47
90; 90; 120		118.903Arnold, H.
Die struktur des hochquarzes Note: sample is at T = 650 deg C, under the false assumption that it is twinned
Zeitschrift fur Kristallographie, 1962, 117, 467-469
9008400 CIFAl As O4P 31 2 15.028; 5.028; 11.228
90; 90; 120		245.824Sowa, H.
The crystal structure of AlAsO4 at high pressure Note: P = 0 GPa
Zeitschrift fur Kristallographie, 1991, 194, 291-304
9008401 CIFAl As O4P 31 2 15.03; 5.03; 11.234
90; 90; 120		246.151Sowa, H.
The crystal structure of AlAsO4 at high pressure Note: P = 0 GPa, in the diamond anvil cell
Zeitschrift fur Kristallographie, 1991, 194, 291-304
9008402 CIFAl As O4P 31 2 14.945; 4.945; 11.135
90; 90; 120		235.805Sowa, H.
The crystal structure of AlAsO4 at high pressure Note: P = 1.81 GPa
Zeitschrift fur Kristallographie, 1991, 194, 291-304
9008403 CIFAl As O4P 31 2 14.873; 4.873; 11.071
90; 90; 120		227.672Sowa, H.
The crystal structure of AlAsO4 at high pressure Note: P = 2.99 GPa
Zeitschrift fur Kristallographie, 1991, 194, 291-304
9008404 CIFAl As O4P 31 2 14.799; 4.799; 11.003
90; 90; 120		219.454Sowa, H.
The crystal structure of AlAsO4 at high pressure Note: P = 4.87 GPa
Zeitschrift fur Kristallographie, 1991, 194, 291-304
9009666 CIFO2 SiP 31 2 14.9158; 4.9158; 5.4091
90; 90; 120		113.199Gualtieri, A. F.
Accuracy of XRPD QPA using the combined Rietveld-RIR method
Journal of Applied Crystallography, 2000, 33, 267-278
9009779 CIFAl0.96 Ca1.538 O14 Th0.302 Ti2.6 Zr2.6P 31 2 17.228; 7.228; 16.805
90; 90; 120		760.336Grey, I. E.; Mumme, W. G.; Ness, T. J.; Roth, R. S.; Smith, K. L.
Structural relations between weberite and zirconolite polytypes - refinements of doped 3T and 4M Ca2Ta2O7 and 3T CaZrTi2O7 Locality: synthetic Sample: T = 123 K Note: polytype Zirconolite-3T
Journal of Solid State Chemistry, 2003, 174, 285-295
9010240 CIFCa3 Mg0.017 Mn O14 Sb3.983P 31 2 17.282; 7.282; 17.604
90; 90; 120		808.432Bonazzi, P.; Bindi, L.
The crystal structure of ingersonite, Ca3Mn2+Sb5+4O14, and its relationships with pyrochlore Locality: Langban mine, Varmland, Sweden
American Mineralogist, 2007, 92, 947-953

Blue left arrow Blue left arrow First | Blue left arrow Previous 100 | of 6 | Next 100 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!
Top of the page
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.