Crystallography Open Database

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7062484 CIFC56 H34 I8 N10 Ni3 O6P 32 2 116.0798; 16.0798; 22.355
90; 90; 120		5005.7Kumar, Sunil; Choudhary, Mukesh
A phenoxy-bridged trinuclear Ni(ii) complex: synthesis, structural elucidation and molecular docking with viral proteins
New Journal of Chemistry, 2023, 47, 10424-10445
7062947 CIFC29 H31 N5 O3P 32 2 19.3538; 9.3538; 24.4673
90; 90; 120		1853.93Chen, Zi-Yue; Wang, Xi-Rui; Xu, Ke-Lan; Hu, Pan; Tian, You-Ping; Wang, Hui-Juan; Zhou, Ying; Liu, Xiong-Li
Py-2NO ligand enabled Ni(ii)-catalyzed asymmetric Michael addition reaction of indoles with β,γ-unsaturated α-keto esters
New Journal of Chemistry, 2024, 48, 1688-1695
7100574 CIFC13 H10 N3 S2 Se2P 32 2 115.733; 15.733; 4.973
90; 90; 120		1066Richard Oakley; Leanne Beer; Jaclyn L. Brusso; Robert C. Haddon; Mikhail E. Itkis; Robert W. Reed; J.F.Richardson; Richard Secco; Xueyang Yu.
The effect of selenium incorporation on the bandwidth and conductivity of neutral radical conductors
Chemical Communications, 2005
7100772 CIFC9 H5 F6 Fe N O6 S2P 32 2 19.1524; 9.1524; 31.283
90; 90; 120		2269.4Warren Oldham; David A. Costa; Brian L. Scott; Michael E. Stoll; D. Bridget Williams
Coordination chemistry of the bis(trifluoromethylsulfonyl)imide anion: molecular interactions in room temperature ionic liquids
Chemical Communications, 2005
7101246 CIFC46 H46 Ag2 N18 O9P 32 2 114.1473; 14.1473; 23.316
90; 90; 120		4041.4Sun, Qiaozhen; Bai, Yan; He, Guangjie; Duan, Chunying; Lin, Zhihua; Meng, Qingjin
Spontaneous resolution of silver double helicates consisting of achiral ligands with several aromatic rings
Chemical Communications (Cambridge, United Kingdom), 2006, 2777-2779
7101248 CIFC52 H40 Ag2 Cl1.67 N12.33 O7.67P 32 2 115.3556; 15.3556; 21.479
90; 90; 120		4386.1Sun, Qiaozhen; Bai, Yan; He, Guangjie; Duan, Chunying; Lin, Zhihua; Meng, Qingjin
Spontaneous resolution of silver double helicates consisting of achiral ligands with several aromatic rings
Chemical Communications (Cambridge, United Kingdom), 2006, 2777-2779
7102194 CIFC28 H16 N0 O10 Zn2P 32 2 113.298; 13.298; 29.544
90; 90; 120		4524.5Ma, Yi; Han, Zhengbo; He, Yongke; Yang, Liguo
A 3D chiral Zn(II) coordination polymer with triple Zn-oba-Zn helical chains (oba = 4,4'-oxybis(benzoate)).
Chemical communications (Cambridge, England), 2007, 4107-4109
7103014 CIFO2 SiP 32 2 14.9115; 4.9115; 5.4038
90; 90; 120		112.892Henry, Paul F; Weller, Mark T; Wilson, Chick C
Hydrogenous materials using powder neutron diffraction: full structural determination of adsorbed water molecules in a zeolite.
Chemical communications (Cambridge, England), 2008, 1557-1559
7103287 CIFC14 H16 N O6.5 ZnP 32 2 19.0773; 9.0773; 31.015
90; 90; 120		2213.2Leong, Wei Lee; Tam, Anthony Yiu-Yan; Batabyal, Sudip K; Koh, Lee Wah; Kasapis, Stefan; Yam, Vivian Wing-Wah; Vittal, Jagadese J
Fluorescence enhancement of coordination polymeric gel.
Chemical communications (Cambridge, England), 2008, 3628-3630
7104109 CIFC26 H30 N2 O9P 32 2 19.671; 9.671; 22.674
90; 90; 120		1836.54Yao, Qing-Xia; Xuan, Wei-Min; Zhang, Hui; Tu, Chao-Yang; Zhang, Jie
The formation of a hydrated homochiral helix from an achiral zwitterionic salt, spontaneous chiral symmetry breaking and redox chromism of crystals.
Chemical communications (Cambridge, England), 2008, 34, 59-61
7108721 CIFC16 H30 N4 Se7 Sn3P 32 2 113.947; 13.947; 27.8553
90; 90; 120		4692.5Jian-Rong Li; Wei-Wei Xiong; Zai-Lai Xie; Cheng-Feng Du; Guo-Dong Zou; Xiao-Ying Huang
From selenidostannates to silver-selenidostannate: structural variation of chalcogenidometallates synthesized in ionic liquids
Chem.Commun., 2013, 49, 181
7111024 CIFC17 H24 B0.5 F2 N4 O3.5 S ZnP 32 2 117.674; 17.674; 15.531
90; 90; 120		4201.5Hammes, Brian S.; Carrano, Carl J.
Methylation of (2-methylethanethiol-bis-3,5-dimethylpyrazolyl)methane zinc complexes and coordination of the resulting thioether: relevance to zinc-containing alkyl transfer enzymes
Chemical Communications, 2000, 1635
7113038 CIFC34 H40 Cl2 N2 ZnP 32 2 111.573; 11.573; 19.653
90; 90; 120		2279.6Hagar, Mohamed; Ragaini, Fabio; Monticelli, Elena; Caselli, Alessandro; Macchi, Piero; Casati, Nicola
Chiral cyclopropylamines in the synthesis of new ligands; first asymmetric Alkyl-BIAN compounds.
Chemical communications (Cambridge, England), 2010, 46, 6153-6155
7114849 CIFC6 H6 Br2P 32 2 18.721; 8.721; 8.701
90; 90; 120		573.1Vasilyev, Aleksandr V.; Lindeman, Sergey V.; Kochi, Jay K.
Noncovalent binding of the halogens to aromatic donors. Discrete structures of labile Br2 complexes with benzene and toluene
Chemical Communications, 2001, 909
7115173 CIFC17 H32 I2 P2 PtP 32 2 112.699; 12.699; 11.995
90; 90; 120		1675.2Fernandez, Elena; Gillon, Amy; Heslop, Katie; Horwood, Emily; Hyett, David J.; Orpen, A. Guy; Pringle, Paul G.
Rationally designed improvement of the bis(phospholano)ethane ligand for asymmetric hydrogenation leads to a reappraisal of the factors governing the enantioselectivity of Duphos catalysts
Chemical Communications, 2000, 1663
7115994 CIFC68 H132 Dy6 Mo4 N6 O58P 32 2 122.0866; 22.0866; 19.183
90; 90; 120		8104.1Yong Zheng; Yin-Yin Pan; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng
Reversible transformation between chiral and achiral Dy6Mo4 clusters through a symmetric operation
Chem.Commun., 2014, 50, 14728
7115996 CIFC65 H120 Dy6 Mo4 N6 O55P 32 2 121.9826; 21.9826; 19.1459
90; 90; 120		8012.4Yong Zheng; Yin-Yin Pan; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng
Reversible transformation between chiral and achiral Dy6Mo4 clusters through a symmetric operation
Chem.Commun., 2014, 50, 14728
7116660 CIFC46 H79 Fe9 N2 O50P 32 2 118.927; 18.927; 24.693
90; 90; 120		7661Jiong-Peng Zhao; Song-De Han; Xue Jiang; Jian Xu; Ze Chang; Xian-He Bu
A three dimensional magnetically frustrated metal-organic framework via the vertices augmentation of underlying net
Chem.Commun., 2015, 51, 4627
7116811 CIFC42 H34 O12 Zn3P 32 2 118.1019; 18.1019; 24.668
90; 90; 120		7000.2Hongmin Su; Fuxing Sun; Jiangtao Jia; Hongming He; Aifei Wang; Guangshan Zhu
A highly porous medical metal-organic framework constructed from bioactive curcumin
Chem.Commun., 2015, 51, 5774
7117087 CIFC73 H58 Cl2 N4 Si2P 32 2 113.156; 13.156; 28.415
90; 90; 120		4259.2Takayuki Tanaka; Atsuhiro Osuka
Tetracoordinate silicon complexes of 1,2-bis(indol-2-yl)benzene as blue-emitting dyes in the solid state
Chem.Commun., 2015, 51, 8123
7117596 CIFC9 H16 Cl Cu0.5 N O6 S2P 32 2 110.7314; 10.7314; 23.1419
90; 90; 120		2308.04Rancan, Marzio; Armelao, Lidia
Exploiting dimensional variability in coordination polymers: solvent promotes reversible conversion between 3D and chiral 1D architectures.
Chemical communications (Cambridge, England), 2015, 51, 12947-12949
7119067 CIFC29 H36 Au F6 N3 O4 S2P 32 2 111.4418; 11.4418; 23.88
90; 90; 120		2707.4Ming Chen; Ning Sun; Haoyi Chen; Yuanhong Liu
Dioxazoles, a new mild nitrene transfer reagent in gold catalysis: highly efficient synthesis of functionalized oxazoles
Chem.Commun., 2016, 52, 6324
7120641 CIFC58 H74 Au2 Cl4 N4 O2P 32 2 115.803; 15.803; 21.901
90; 90; 120		4736.7Zhang, Jun; Chen, Haifeng; Wang, Jiwei; Hu, Zejun; Xu, Sheng; Shi, Min
Catalytic domino amination and oxidative coupling of gold acetylides and isolation of key vinylene digold intermediates as a new class of ditopic N-heterocyclic carbene complexes
Chem. Commun., 2017
7121886 CIFC19 H28 Br N5 O3 SP 32 2 19.8558; 9.8558; 18.9035
90; 90; 120		1590.22Weinberger, Craig; Hines, Rachel; Zeller, Matthias; Rosokha, Sergiy V.
Continuum of covalent to intermolecular bonding in the halogen-bonded complexes of 1,4-diazabicyclo[2.2.2]octane with bromine-containing electrophiles.
Chemical communications (Cambridge, England), 2018, 54, 8060-8063
7122548 CIFC64 H60 Cl Dy N8 O22 Zn3P 32 2 116.9961; 16.9961; 19.8792
90; 90; 120		4973.1Liu, Cai-Ming; Zhang, De-Qing; Xiong, Ren-Gen; Hao, Xiang; Zhu, Dao-Ben
A homochiral Zn-Dy heterometallic left-handed helical chain complex without chiral ligands: anion-induced assembly and multifunctional integration.
Chemical communications (Cambridge, England), 2018, 54, 13379-13382
7124466 CIFC16 H42 Cl2 Cu N4 O14P 32 2 18.729; 8.729; 33.58
90; 90; 120		2216Nakakoji, Takashi; Sato, Hirofumi; Ono, Daisuke; Miyake, Hiroyuki; Shinoda, Satoshi; Tsukube, Hiroshi; Kawasaki, Hideya; Arakawa, Ryuichi; Shizuma, Motohiro
Mass spectrometric detection of enantioselectivity in three-component complexation, copper(ii)-chiral tetradentate ligand-free amino acid in solution.
Chemical communications (Cambridge, England), 2019, 56, 54-57
7128953 CIFC114 H150 Mn6 N54 O30 W3P 32 2 119.0231; 19.0231; 12.4374
90; 90; 120		3897.83Magott, Michał; Pinkowicz, Dawid
Chiral porous CN-bridged coordination polymer mimicking MOF-74 and showing magnetization photoswitching.
Chemical communications (Cambridge, England), 2021, 57, 9926-9929
7130190 CIFC19 H16 N O Zn0.5P 32 2 18.6028; 8.6028; 34.6337
90; 90; 120		2219.78Ikeshita, 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
7150061 CIFC9 H12 N6 O4P 32 2 19.7754; 9.7754; 20.3627
90; 90; 120		1685.1Lin, Wenqing; Li, Hong; Ming, Xin; Seela, Frank
1,N6-Etheno-7-deaza-2,8-diazaadenosine: syntheses, properties and conversion to 7-deaza-2,8-diazaadenosine.
Organic & biomolecular chemistry, 2005, 3, 1714-1718
7150182 CIFC9.8 H12 F6 N2 O4 S2P 32 2 114.3841; 14.3841; 13.98
90; 90; 120		2504.97Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker
Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst‒synthesis of optically active tetrahydro-beta-carbolines.
Organic & biomolecular chemistry, 2005, 3, 2566-2571
7200477 CIFC36 H28 Cl2 Co N8 O4P 32 2 114.4804; 14.4804; 18.9354
90; 90; 120		3438.5Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi
Metal‒organic frameworks derived from bis-pyridyl-bis-amide ligands: Effect of positional isomerism of the ligands, hydrogen bonding backbone, counter anions on the supramolecular structures and selective crystallization of the sulfate anion
CrystEngComm, 2009, 11, 796-802
7200678 CIFC40 H40 Cl2 Cu N8 O6P 32 2 112.9207; 12.9207; 19.932
90; 90; 120		2881.73Banerjee, Subhabrata; Adarsh, N. N.; Dastidar, Parthasarathi
An unprecedented all helical 3D network and a rarely observed non-interpenetrated octahedral network in homochiral Cu(II) MOFs: effect of steric bulk and π‒π stacking interactions of the ligand backbone
CrystEngComm, 2009, 11, 746
7200931 CIFC20 H26 N8 O14 Zn3P 32 2 111.321; 11.321; 19.872
90; 90; 120		2205.7Xu, Yan-Hong; Lan, Ya-Qian; Wu, Shui-Xing; Shao, Kui-Zhan; Su, Zhong-Min; Liao, Yi
Unprecedented interweaving of single-helical chains into a chiral metal‒organic framework based on a flexible ligand
CrystEngComm, 2009, 11, 1711
7206121 CIFC54 H32 Cu2 N2 O12P 32 2 114.0995; 14.0995; 20.05
90; 90; 120		3451.9Pang, Yu; Tian, Dan; Zhu, Xiao-Fei; Luo, Yu-Hui; Zheng, Xiang; Zhang, Hong
Copper(ii) and nickel(ii) coordination polymers assembled from 2,4-dibenzoylisophthalic acid and different N-donor co-ligands: syntheses, crystal structures, and magnetic properties
CrystEngComm, 2011, 13, 5142
7206122 CIFC54 H14.33 N2 Ni2 O13P 32 2 114.096; 14.096; 20.062
90; 90; 120		3452.2Pang, Yu; Tian, Dan; Zhu, Xiao-Fei; Luo, Yu-Hui; Zheng, Xiang; Zhang, Hong
Copper(ii) and nickel(ii) coordination polymers assembled from 2,4-dibenzoylisophthalic acid and different N-donor co-ligands: syntheses, crystal structures, and magnetic properties
CrystEngComm, 2011, 13, 5142
7206664 CIFC20 H21 Co N3 O7 SP 32 2 111.4284; 11.4284; 30.743
90; 90; 120		3477.3Bu, Yang; Jiang, Feilong; Zhang, Shuquan; Ma, Jie; Li, Xingjun; Hong, Maochun
Topological variability of Zn(ii) and Co(ii) 3D coordination polymers obtained through solvothermal in situ disulfide cleavage
CrystEngComm, 2011, 13, 6323
7208009 CIFC12 H10 N2 O6 ZnP 32 2 111.9058; 11.9058; 8.3177
90; 90; 120		1021.06Zhang, 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
7208014 CIFC12 H10 N2 O6 ZnP 32 2 111.9175; 11.9175; 8.3253
90; 90; 120		1024Zhang, 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
7208015 CIFC12 H10 N2 O6 ZnP 32 2 111.9166; 11.9166; 8.3263
90; 90; 120		1023.97Zhang, 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
7208016 CIFC12 H10 N2 O6 ZnP 32 2 111.9118; 11.9118; 8.326
90; 90; 120		1023.11Zhang, 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
7209060 CIFC28 H30 Cl2 Cu N8 O5P 32 2 113.5842; 13.5842; 14.8502
90; 90; 120		2373.18Banerjee, Subhabrata; Adrash, N. N.; Dastidar, Parthasarathi
Anions as additive and template in tuning metallasupramolecular architecture in CuII coordination compounds derived from l-amino acid based chiral ligands
CrystEngComm, 2013, 15, 245
7210324 CIFC46 H40 Cl6 N6 Ni OP 32 2 113.8377; 13.8377; 20.3849
90; 90; 120		3380.39Béziau, Antoine; Baudron, Stéphane A.; Rogez, Guillaume; Hosseini, Mir Wais
Ni(ii) dipyrrin complexes bearing peripheral pyridyl or imidazolyl groups self-assemble into 2- and 3-D coordination polymers
CrystEngComm, 2013, 15, 5980
7210802 CIFC38 H32 Cd Cu2 N10 O4P 32 2 111.377; 11.377; 25.411
90; 90; 120		2848.4Das, Lakshmi Kanta; Ghosh, Ashutosh
Structural diversity in the complexes based on a hetero-trimetallic Cu2Cd node and dicyanamide spacer: a hexanuclear cluster, a 1D stair polymer and a 1D zigzag chain as supramolecular isomers, and a 3D network
CrystEngComm, 2013, 15, 9444
7211993 CIFC4 H6 La N3 O7P 32 2 18.941; 8.941; 10.026
90; 90; 120		694.11Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min
A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units
CrystEngComm, 2010, 12, 1147
7211994 CIFC4 H6 Ce N3 O7P 32 2 18.888; 8.888; 9.973
90; 90; 120		682.3Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min
A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units
CrystEngComm, 2010, 12, 1147
7211995 CIFC4 H6 N3 O7 PrP 32 2 18.841; 8.841; 9.922
90; 90; 120		671.6Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min
A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units
CrystEngComm, 2010, 12, 1147
7211996 CIFC4 H6 N3 Nd O7P 32 2 18.805; 8.805; 9.883
90; 90; 120		663.56Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min
A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units
CrystEngComm, 2010, 12, 1147
7211997 CIFC4 H6 N3 O7 SmP 32 2 18.712; 8.712; 9.818
90; 90; 120		645.3Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min
A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units
CrystEngComm, 2010, 12, 1147
7211998 CIFC4 H6 Eu N3 O7P 32 2 18.674; 8.674; 9.796
90; 90; 120		638.3Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min
A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units
CrystEngComm, 2010, 12, 1147
7211999 CIFC4 H6 Gd N3 O7P 32 2 18.639; 8.639; 9.772
90; 90; 120		631.6Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min
A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units
CrystEngComm, 2010, 12, 1147
7214810 CIFC56 H72 Cl4 Fe Mn2 N11 O8P 32 2 116.2948; 16.2948; 19.3671
90; 90; 120		4453.42Kara, Hulya; Azizoglu, Akın; Karaoglu, Ayse; Yahsi, Yasemin; Gungor, Elif; Caneschi, Andrea; Sorace, Lorenzo
Synthesis, crystal structure, magnetic properties and computational study of a series of cyano-bridged MnIII-FeIII complexes
CrystEngComm, 2012, 14, 7320
7215392 CIFC10 H8 N4 SP 32 2 17.3135; 7.3135; 16.4964
90; 90; 120		764.14Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng
Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures
CrystEngComm, 2011, 13, 6192
7215962 CIFC20 H36 Cl2 F4 Mg N4 O8P 32 2 18.85; 8.85; 34.827
90; 90; 120		2362.3Grepioni, Fabrizia; Wouters, Johan; Braga, Dario; Nanna, Saverio; Fours, Baptiste; Coquerel, Gérard; Longfils, Geraldine; Rome, Sandrine; Aerts, Luc; Quéré, Luc
Ionic co-crystals of racetams: solid-state properties enhancement of neutral active pharmaceutical ingredients via addition of Mg2+ and Ca2+ chlorides
CrystEngComm, 2014, 16, 5887
7217757 CIFC17 H17 Mo4 N4 O14.5P 32 2 116.04016; 16.04016; 17.79763
90; 90; 120		3965.61Pisk, Jana; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Jednačak, Tomislav; Novak, Predrag; Agustin, Dominique; Vrdoljak, Visnja
Pyridoxal hydrazonato molybdenum(VI) complexes: Assembly, Structure and Epoxidation (Pre)Catalyst testing under solvent-free conditions
RSC Advances, 2014
7220058 CIFC22 H42 Cl2 Cu N10 O7P 32 2 112.306; 12.306; 18.4537
90; 90; 120		2420.18Wojciechowska, Agnieszka; Gągor, Anna; Zierkiewicz, Wiktor; Jarząb, Anna; Dylong, Agnieszka; Duczmal, Marek
Metal-organic framework in L-argininato copper(II) ions polymer - structure, spectroscopic properties, theoretical studies and microbiological activity
RSC Adv., 2015
7221831 CIFC10 H12 O5P 32 2 16.0046; 6.0046; 45.98
90; 90; 120		1435.7Rashid, Showkat; Bhat, Bilal A.; Sen, Saikat; Mehta, Goverdhan
The distinctively singular self-assembly of a “molecular stair”: observation of a quadrilateral C‒H⋯O hydrogen bonding cycle in the crystal structure of a tetracyclic oligo-tetrahydrofuran
RSC Adv., 2015, 5, 70899
7222684 CIFHg3 O6 SeP 32 2 17.1643; 7.1643; 10.101
90; 90; 120		448.996Weil, M.
Hydrothermal single crystal growth and crystal structures of the mercury(II) selenates(VI) Hg Se O4, Hg Se O4 * (Hg O) and Hg Se O4 * 2(Hg O)
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 2002, 57, 1043-1050
7226541 CIFC31 H24 Cu2 N4 OP 32 2 118.2348; 18.2348; 16.395
90; 90; 120		4721.1Grzywa, Maciej; Denysenko, Dmytro; Schaller, Andreas; Kalytta-Mewes, Andreas; Volkmer, Dirk
Flexible chiral pyrazolate-based metal‒organic framework containing saddle-type CuI4(pyrazolate)4units
CrystEngComm, 2016, 18, 7883
7228008 CIFC35 H63 Co Gd N11 O28P 32 2 110.6445; 10.6445; 36.732
90; 90; 120		3604.3Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.
Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions
CrystEngComm, 2017, 19, 2372
7228407 CIFBa Cu2 Se4 SiP 32 2 16.4188; 6.4188; 16.083
90; 90; 120		573.9Nian, 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
7228409 CIFBa Cu2 S4 SnP 32 2 16.353; 6.353; 15.788
90; 90; 120		551.8Nian, 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
7228675 CIFC5 H7 Cd0.5 N2P 32 2 18.659; 8.659; 13.705
90; 90; 120		889.91Liu, Zhanning; Liu, Chenxi; Li, Qiang; Chen, Jun; Xing, Xianran
Spring-like Motion Caused Large Anisotropic Thermal Expansion in Nonporous M(eim)2 (M=Zn, Cd)
Phys. Chem. Chem. Phys., 2017
7228676 CIFC5 H7 Cd0.5 N2P 32 2 18.6335; 8.6335; 13.7402
90; 90; 120		886.947Liu, Zhanning; Liu, Chenxi; Li, Qiang; Chen, Jun; Xing, Xianran
Spring-like Motion Caused Large Anisotropic Thermal Expansion in Nonporous M(eim)2 (M=Zn, Cd)
Phys. Chem. Chem. Phys., 2017
7228677 CIFC5 H7 Cd0.5 N2P 32 2 18.7286; 8.7286; 13.6174
90; 90; 120		898.49Liu, Zhanning; Liu, Chenxi; Li, Qiang; Chen, Jun; Xing, Xianran
Spring-like Motion Caused Large Anisotropic Thermal Expansion in Nonporous M(eim)2 (M=Zn, Cd)
Phys. Chem. Chem. Phys., 2017
7228678 CIFC5 H7 Cd0.5 N2P 32 2 18.6948; 8.6948; 13.6675
90; 90; 120		894.83Liu, Zhanning; Liu, Chenxi; Li, Qiang; Chen, Jun; Xing, Xianran
Spring-like Motion Caused Large Anisotropic Thermal Expansion in Nonporous M(eim)2 (M=Zn, Cd)
Phys. Chem. Chem. Phys., 2017
7228961 CIFC30 H30 F3 N3 O3P 32 2 111.14762; 11.14762; 38.1285
90; 90; 120		4103.41Shen, 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
7231324 CIFC14 H18 O2P 32 2 114.014; 14.014; 6.5964
90; 90; 120		1121.9Das, Dinabandhu; Barbour, Leonard J.
Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal
CrystEngComm, 2018, 20, 5123
7231326 CIFC14 H18 O2P 32 2 114.3565; 14.3565; 6.5749
90; 90; 120		1173.59Das, Dinabandhu; Barbour, Leonard J.
Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal
CrystEngComm, 2018, 20, 5123
7231327 CIFC14 H18 O2P 32 2 114.205; 14.205; 6.6233
90; 90; 120		1157.4Das, Dinabandhu; Barbour, Leonard J.
Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal
CrystEngComm, 2018, 20, 5123
7231334 CIFC10.5 H13.5 N0 O1.5P 32 2 114.25; 14.25; 6.62
90; 90; 120		1164.2Das, Dinabandhu; Barbour, Leonard J.
Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal
CrystEngComm, 2018, 20, 5123
7234805 CIFC15 H20 Cd N4 O4 SP 32 2 113.2119; 13.2119; 19.7637
90; 90; 120		2987.6Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan
A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties
CrystEngComm, 2019
7236226 CIFC30 H24 B F4 N7 RuP 32 2 113.0588; 13.0588; 31.5888
90; 90; 120		4665.2Patil, Sagar K.; Ghosh, Rajib; Kennedy, Princy; Mobin, Shaikh M.; Das, Dipanwita
Potential anion sensing properties by a redox and substitution series of [Ru(bpy)3−n(Hdpa)n]2+, n = 1‒3; Hdpa = 2,2′-dipyridylamine: selective recognition and stoichiometric binding with cyanide and fluoride ions
RSC Advances, 2016, 6, 62310
7237136 CIFC9 H5.5 N8.5 O8P 32 2 18.443; 8.443; 33.962
90; 90; 120		2096.6Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.
Ring closure of polynitroazoles via an N,N′-alkylene bridge: towards high thermally stable energetic compounds
Journal of Materials Chemistry A, 2018, 6, 8382
7239992 CIFC6 H14 Br3 N3P 32 2 19.6026; 9.6026; 23.3261
90; 90; 120		1862.73Morita, Hagino; Tsunashima, Ryo; Nishihara, Sadafumi; Akutagawa, Tomoyuki
Doping of Metal-free Molecular Perovskite with Hexamethylenetetramine to Create Non-centrosymmetric Defects
CrystEngComm, 2020
7240412 CIFC14 H10 O2P 32 2 18.3601; 8.3601; 13.3968
90; 90; 120		810.88Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Hwang, Kuo Chu
Visible light-induced aerobic oxidation of diarylalkynes to α-diketones catalyzed by copper-superoxo at room temperature
Green Chemistry, 2020, 22, 4426-4432
7241051 CIFC22 H11 N5 O7 Zn2P 32 2 120.5369; 20.5369; 34.603
90; 90; 120		12639Liu, Xiao-Ting; Chen, Si-Si; Li, Si-Miao; Nie, Hong-Xiang; Feng, Yao-Qing; Fan, Yi-Ning; Yu, Mei-Hui; Chang, Ze; Bu, Xian-He
Structural tuning of Zn(ii)-MOFs based on pyrazole functionalized carboxylic acid ligands for organic dye adsorption
CrystEngComm, 2020
7241996 CIFC10 H15 N5 Na O8 PP 32 2 110.9535; 10.9535; 22.449
90; 90; 120		2332.6Yang, Pengpeng; Jin, Junyang; Wen, Qingshi; Lin, Chenguang; Fu, JinQiu; Zhuang, Wei; Wu, Jinglan; Liu, Dong; Zhu, Chenjie; Ying, Hanjie
Hydrates of adenosine 3′,5′-cyclic monophosphate sodium and their transformation
CrystEngComm, 2021, 23, 174-184
7242755 CIFC37 H43 N7 O18P 32 2 113.033; 13.033; 44.95
90; 90; 120		6612O'Reilly, Ciaran; Blasco, Salvador; Parekh, Bina; Collins, Helen; Cooke, Gordon; Gunnlaugsson, Thorfinnur; Byrne, Joseph P.
Ruthenium-centred btp glycoclusters as inhibitors for Pseudomonas aeruginosa biofilm formation
RSC Advances, 2021, 11, 16318-16325
7244188 CIFB21 Ca3 H6 Li3 O39P 32 2 18.7306; 8.7306; 12.5809
90; 90; 120		830.48Chen, Chong-An; Yang, Guo-Yu
Syntheses, Structures and Optical Properties of Two B3O7 Cluster-based Borates
CrystEngComm, 2022
7245132 CIFC H7 N10 Na2 O2.5P 32 2 19.6556; 9.6556; 18.7426
90; 90; 120		1513.28Xu, Yuangang; Xu, Ze; Zhang, Xiaopeng; Hou, Tianyang; Lu, Ming
[Na4(N5)4(H2O)2]·H2O·2MeOH: a honeycomb-like sodium pentazolate framework with helical chains
CrystEngComm, 2022
7245647 CIFC38 H38 Cd N6 O4P 32 2 116.7798; 16.7798; 28.3067
90; 90; 120		6902.3Ju, Huiyeong; Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung
A series of entangled MOFs constructed from flexible dipyridyl piperazine and rigid dicarboxylate: interpenetration, self-penetration and polycatenation
CrystEngComm, 2022
7245832 CIFC24 H24 Al2 Cl6 N4P 32 2 110.04888; 10.04888; 24.976
90; 90; 120		2184.18Gugin, 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
7246546 CIFC14 H10 O2P 32 2 18.415; 8.415; 13.689
90; 90; 120		839.48Bhukta, Swadhapriya; Chatterjee, Rana; Dandela, Rambabu
Metal-free, 2-MeTHF mediated C(sp)–H functionalization of alkynes with anilines to access diaryl 1,2-diketones bearing lower E-factors
Green Chemistry, 2023, 25, 3034-3039
7700044 CIFC44 H20 Cu2 N2 O20P 32 2 122.4612; 22.4612; 11.1324
90; 90; 120		4863.9Xu, Ming-Ming; Kong, Xiang-Jing; He, Tao; Wu, Xue-Qian; Xie, Lin-Hua; Li, Jian-Rong
Reaction duration-dependent formation of two Cu(ii)-MOFs with selective adsorption properties of C<sub>3</sub>H<sub>4</sub> over C<sub>3</sub>H<sub>6</sub>.
Dalton transactions (Cambridge, England : 2003), 2019, 48, 9225-9233
7705340 CIFC144 H111 Au6 B6 Cu6 F24 N21 P6P 32 2 115.214; 15.214; 19.3663
90; 90; 120		3882.08Petrovskii, Stanislav K.; Paderina, Aleksandra V.; Sizova, Anastasia A.; Baranov, Andrey Yu; Artem'ev, Alexander A.; Sizov, Vladimir V.; Grachova, Elena V.
Luminescence behaviour of Au(I)-Cu(I) heterobimetallic coordination polymers based on alkynyl-tris(2-pyridyl)phosphine Au(I) complexes.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 13430-13439
7707825 CIFC40 H48 Cd N10 O4P 32 2 119.1032; 19.103; 11.8529
90; 90; 120		3746Zivkovic, 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
7708181 CIFC66.91 H105.82 B8 N8 Na4 O12.73P 32 2 116.6556; 16.6556; 27.4355
90; 90; 120		6591.19Drescher, Wiebke; Kleeberg, Christian
N-H deprotonation of a diaminodialkoxido diborane(4) - a structural study on bifunctional Lewis acids/bases and their dimerisation to B(sp<sup>2</sup>)<sub>2</sub>B(sp<sup>3</sup>)<sub>2</sub>N<sub>2</sub> six membered rings.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 13149-13157
7710248 CIFC54 H84 Cl9 In N6P 32 2 117.0509; 17.0509; 39.5214
90; 90; 120		9950.79Qi, 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
7710670 CIFC20 H34 K2 N10 O29 V4P 32 2 118.11633; 18.11633; 11.42819
90; 90; 120		3248.24Xie, Zhenlang; An, Dongli; Weng, Weizheng; Zhou, Zhao-Hui
Successive constructions of regular tetra-, hexa- and octanuclear microporous polyoxovanadates(III) for gas adsorptions
Dalton Transactions, 2022
7711302 CIFC18 H14 Dy N O8P 32 2 113.7063; 13.7063; 22.8201
90; 90; 120		3712.7Zhang, 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
7712396 CIFC36 H29 Au F5 N3 O3 P S3P 32 2 113.8662; 13.8662; 32.5715
90; 90; 120		5423.55Salvador, Daniel; Herrera, Raquel; Gimeno, Maria Concepcion
Free-Catalysed Synthesis of Thiazolidine-Thiourea Ligands for Metal Coordination (Au and Ag) and Preliminary Cytotoxic Studies
Dalton Transactions, 2023
7713091 CIFC12 H22 Cu N4 O3P 32 2 18.5368; 8.5368; 17.4591
90; 90; 120		1101.9Eerlapally, Raju; Gupta, Sikha; Awasthi, Ayushi; Kumar, Rakesh; Draksharapu, Apparao
Spectroscopic characterization and reactivity of a high valent (L)Cu(III) species supported by proline-based pseudo peptide
Dalton Transactions, 2023
7713380 CIFC12 H28 Cu I2 N4P 32 2 19.3636; 9.3636; 18.1008
90; 90; 120		1374.4Wakizaka, Masanori; Arczyński, Mirosław; Gupta, Shraddha; Takaishi, Shinya; Yamashita, Masahiro
Spin dynamics in a Heisenberg weak antiferromagnetic chain of an iodide-bridged Cu(II) complex
Dalton Transactions, 2023
7713633 CIFC8 H28 Cl4 N4 O6 Pd2P 32 2 17.1017; 7.1017; 34.3219
90; 90; 120		1499.09Mian, Mohammad Rasel; Afrin, Unjila; Takaishi, Shinya; Breedlove, Brian. K.; Yamashita, Masahiro; Iguchi, Hiroaki
Hexagonal crystalline Magnus’ green salt analogues prepared from hydroxy-functionalised Pt and Pd complexes
Dalton Transactions, 2023
7713634 CIFC8 H28 Cl4 N4 O6 Pt2P 32 2 17.0961; 7.0961; 34.393
90; 90; 120		1499.82Mian, Mohammad Rasel; Afrin, Unjila; Takaishi, Shinya; Breedlove, Brian. K.; Yamashita, Masahiro; Iguchi, Hiroaki
Hexagonal crystalline Magnus’ green salt analogues prepared from hydroxy-functionalised Pt and Pd complexes
Dalton Transactions, 2023
7713658 CIFC32 H42 B F4 Mn N2 O3 P2P 32 2 119.8964; 19.8964; 8.112
90; 90; 120		2781.04Schratzberger, 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
8000001 CIFC12 H46 Cd2 Cl8 Co2 N10 O3 S2P 32 2 114.195; 14.195; 31.337
90; 90; 120		5468.4Takashi Aridomi; Tatsuya Kawamoto; Asako Igashira-Kamiyama; Takumi Konno
The First S-Bridged CoIIICdIICoIII and CoIIICdII2CoIII Structures Controlled by Chirality of Mono(thiolato)-Type Cobalt(III) Units
Chemistry Letters, 2005, 34, 292
8101062 CIFC6 H24 Ca3 N6 O12 S6P 32 2 17.9268; 7.9268; 12.7656
90; 90; 120		694.65Held, Peter; Bohatý, Ladislav
Crystal structure of calcium dithiocyanate tetrahydrate, Ca(NCS)~2~ · 4H~2~O
Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 337-337
9000004 CIFHg SP 32 2 14.15; 4.15; 9.51
90; 90; 120		141.843Ramsdell, L. S.
The crystal structures of some metallic sulfides
American Mineralogist, 1925, 10, 281-304
9000775 CIFO2 SiP 32 2 14.916; 4.916; 5.4054
90; 90; 120		113.131Levien, L.; Prewitt, C. T.; Weidner, D. J.
Structure and elastic properties of quartz at pressure P = 1 atm
American Mineralogist, 1980, 65, 920-930
9000776 CIFO2 SiP 32 2 14.8362; 4.8362; 5.3439
90; 90; 120		108.242Levien, L.; Prewitt, C. T.; Weidner, D. J.
Structure and elastic properties of quartz at pressure P = 20.7 kbar
American Mineralogist, 1980, 65, 920-930
9000777 CIFO2 SiP 32 2 14.7736; 4.7736; 5.301
90; 90; 120		104.612Levien, L.; Prewitt, C. T.; Weidner, D. J.
Structure and elastic properties of quartz at pressure P = 37.6 kbar
American Mineralogist, 1980, 65, 920-930
9000778 CIFO2 SiP 32 2 14.739; 4.739; 5.279
90; 90; 120		102.673Levien, L.; Prewitt, C. T.; Weidner, D. J.
Structure and elastic properties of quartz at pressure P = 48.6 kbar
American Mineralogist, 1980, 65, 920-930
9000779 CIFO2 SiP 32 2 14.722; 4.722; 5.267
90; 90; 120		101.706Levien, L.; Prewitt, C. T.; Weidner, D. J.
Structure and elastic properties of quartz at pressure P = 55.8 kbar
American Mineralogist, 1980, 65, 920-930
9000780 CIFO2 SiP 32 2 14.702; 4.702; 5.256
90; 90; 120		100.636Levien, L.; Prewitt, C. T.; Weidner, D. J.
Structure and elastic properties of quartz at pressure P = 61.4 kbar
American Mineralogist, 1980, 65, 920-930
9002382 CIFAl0.155 Li0.155 O2 Si0.845P 32 2 15.0865; 5.0865; 5.4451
90; 90; 120		122.004Xu, H.; Heaney, P. J.; Beall, G. H.
Phase transitions induced by solid solution in stuffed derivatives of quartz: A powder synchrotron XRD study of the LiAlSiO4-SiO2 join Sample: x=.69, Li.31Al.31Si1.69O4, alpha quartz structure
American Mineralogist, 2000, 85, 971-979
9002383 CIFAl0.05 Li0.05 O2 Si0.95P 32 2 14.9567; 4.9567; 5.4164
90; 90; 120		115.246Xu, H.; Heaney, P. J.; Beall, G. H.
Phase transitions induced by solid solution in stuffed derivatives of quartz: A powder synchrotron XRD study of the LiAlSiO4-SiO2 join Sample: x=.9, Li.1Al.1Si1.9O4, alpha quartz structure
American Mineralogist, 2000, 85, 971-979
9005017 CIFO2 SiP 32 2 14.9137; 4.9137; 5.4047
90; 90; 120		113.011Kihara, K.
An X-ray study of the temperature dependence of the quartz structure Sample: at T = 298 K
European Journal of Mineralogy, 1990, 2, 63-77
9005018 CIFO2 SiP 32 2 14.9209; 4.9209; 5.4091
90; 90; 120		113.434Kihara, K.
An X-ray study of the temperature dependence of the quartz structure Sample: at T = 398 K
European Journal of Mineralogy, 1990, 2, 63-77
9005019 CIFO2 SiP 32 2 14.9297; 4.9297; 5.4151
90; 90; 120		113.967Kihara, K.
An X-ray study of the temperature dependence of the quartz structure Sample: at T = 498 K
European Journal of Mineralogy, 1990, 2, 63-77
9005020 CIFO2 SiP 32 2 14.9384; 4.9384; 5.4213
90; 90; 120		114.5Kihara, K.
An X-ray study of the temperature dependence of the quartz structure Sample: at T = 597 K
European Journal of Mineralogy, 1990, 2, 63-77
9005021 CIFO2 SiP 32 2 14.9509; 4.9509; 5.4285
90; 90; 120		115.234Kihara, K.
An X-ray study of the temperature dependence of the quartz structure Sample: at T = 697 K
European Journal of Mineralogy, 1990, 2, 63-77
9005022 CIFO2 SiP 32 2 14.9628; 4.9628; 5.436
90; 90; 120		115.948Kihara, K.
An X-ray study of the temperature dependence of the quartz structure Sample: at T = 773 K
European Journal of Mineralogy, 1990, 2, 63-77
9005023 CIFO2 SiP 32 2 14.9728; 4.9728; 5.4425
90; 90; 120		116.555Kihara, K.
An X-ray study of the temperature dependence of the quartz structure Sample: at T = 813 K
European Journal of Mineralogy, 1990, 2, 63-77
9005024 CIFO2 SiP 32 2 14.9841; 4.9841; 5.45
90; 90; 120		117.247Kihara, K.
An X-ray study of the temperature dependence of the quartz structure Sample: at T = 838 K
European Journal of Mineralogy, 1990, 2, 63-77
9006404 CIFAl O4 PP 32 2 14.9438; 4.9438; 10.9498
90; 90; 120		231.771Muraoka, Y.; Kihara, K.
The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 25 C
Physics and Chemistry of Minerals, 1997, 24, 243-253
9006405 CIFAl O4 PP 32 2 14.949; 4.949; 10.955
90; 90; 120		232.369Muraoka, Y.; Kihara, K.
The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 92 C
Physics and Chemistry of Minerals, 1997, 24, 243-253
9006406 CIFAl O4 PP 32 2 14.958; 4.958; 10.967
90; 90; 120		233.47Muraoka, Y.; Kihara, K.
The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 183 C
Physics and Chemistry of Minerals, 1997, 24, 243-253
9006407 CIFAl O4 PP 32 2 14.9688; 4.9688; 10.979
90; 90; 120		234.745Muraoka, Y.; Kihara, K.
The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 275 C
Physics and Chemistry of Minerals, 1997, 24, 243-253
9006408 CIFAl O4 PP 32 2 14.9799; 4.9799; 10.992
90; 90; 120		236.074Muraoka, Y.; Kihara, K.
The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 366 C
Physics and Chemistry of Minerals, 1997, 24, 243-253
9006409 CIFAl O4 PP 32 2 14.9939; 4.9939; 11.01
90; 90; 120		237.792Muraoka, Y.; Kihara, K.
The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 458 C
Physics and Chemistry of Minerals, 1997, 24, 243-253
9006410 CIFAl O4 PP 32 2 15; 5; 11.016
90; 90; 120		238.503Muraoka, Y.; Kihara, K.
The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 486 C
Physics and Chemistry of Minerals, 1997, 24, 243-253
9006411 CIFAl O4 PP 32 2 15.0017; 5.0017; 11.019
90; 90; 120		238.731Muraoka, Y.; Kihara, K.
The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 523 C
Physics and Chemistry of Minerals, 1997, 24, 243-253
9006412 CIFAl O4 PP 32 2 15.017; 5.017; 11.038
90; 90; 120		240.608Muraoka, Y.; Kihara, K.
The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 568 C
Physics and Chemistry of Minerals, 1997, 24, 243-253
9006973 CIFN O PP 32 2 14.757; 4.757; 5.246
90; 90; 120		102.808Leger, J. M.; Haines, J.; Chateau, C.; Bocquillon, G.; Schmidt, M. W.; Hull, S.; Gorelli, F.; Lesauze, A.; Marchand, R.
Phosphorus oxynitride PON, a silica analogue: structure and compression of the cristobalite-like phase; P-T phase diagram Note: quartz structure type
Physics and Chemistry of Minerals, 2001, 28, 388-398
9007378 CIFO2 SiP 32 2 14.98; 4.98; 5.46
90; 90; 120		117.269Rosa, A. L.; El-Barbary A A; Heggie, M. I.; Briddon, P. R.
Structural and thermodynamic properties of water related defects in alpha-quartz Note: Hypothetical structure derived using density-functional theory
Physics and Chemistry of Minerals, 2005, 32, 323-331
9007477 CIFGe O2P 32 2 14.987; 4.987; 5.652
90; 90; 120		121.734Smith, G. S.; Isaacs, P. B.
The crystal structure of quartz-like GeO2 Note: polymorph of argutite
Acta Crystallographica, 1964, 17, 842-846
9008579 CIFSeP 32 2 14.35517; 4.35517; 4.94945
90; 90; 120		81.301Wyckoff, R. W. G.
Second edition. Interscience Publishers, New York, New York
Crystal Structures, 1963, 1, 7-83
9008580 CIFSeP 32 2 14.44693; 4.44693; 5.91492
90; 90; 120		101.298Wyckoff, R. W. G.
Second edition. Interscience Publishers, New York, New York
Crystal Structures, 1963, 1, 7-83
9010144 CIFO2 SiP 32 2 14.923; 4.923; 5.409
90; 90; 120		113.529Ikuta, D.; Kawame, N.; Banno, S.; Hirajima, T.; Ito, K.; Rakovan, J. F.; Downs, R. T.; Tamada, O.
First in situ X-ray diffraction identification of coesite and retrograde quartz on a glass thin section of an ultrahigh-pressure metamorphic rock and their crystal structure details Locality: Yangkou meta-igneous complex in the middle part of the Sulu UHP terrain, eastern China Note: Sample is on a thin section
American Mineralogist, 2007, 92, 57-63
9010145 CIFO2 SiP 32 2 14.918; 4.918; 5.407
90; 90; 120		113.257Ikuta, D.; Kawame, N.; Banno, S.; Hirajima, T.; Ito, K.; Rakovan, J. F.; Downs, R. T.; Tamada, O.
First in situ X-ray diffraction identification of coesite and retrograde quartz on a glass thin section of an ultrahigh-pressure metamorphic rock and their crystal structure details Locality: Oomine granite, Tenkawa-mura, Nara, Southwest Japan Sample: in air
American Mineralogist, 2007, 92, 57-63
9010146 CIFO2 SiP 32 2 14.917; 4.917; 5.41
90; 90; 120		113.273Ikuta, D.; Kawame, N.; Banno, S.; Hirajima, T.; Ito, K.; Rakovan, J. F.; Downs, R. T.; Tamada, O.
First in situ X-ray diffraction identification of coesite and retrograde quartz on a glass thin section of an ultrahigh-pressure metamorphic rock and their crystal structure details Locality: Oomine granite, Tenkawa-mura, Nara, Southwest Japan Sample: in a thin section
American Mineralogist, 2007, 92, 57-63
9012082 CIFHg SP 32 2 14.145; 4.145; 9.496
90; 90; 120		141.293Auvray, P.; Genet, F.
Affinement de la structure cristalline du cinabre a-HgS
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie, 1973, 96, 218-219
9013321 CIFO2 SiP 32 2 14.913437; 4.913437; 5.405118
90; 90; 120		113.007Antao, S. M.; Hassan, I.; Wang, J.; Lee, P. L.; Toby, B. H.
State-of-the-art high-resolution powder x-ray diffraction (HRPXRD) illustrated with Rietveld structure refinement of quartz, sodalite, tremolite, and meionite Locality: not specified
The Canadian Mineralogist, 2008, 46, 1501-1509
9014016 CIFGe O2P 32 2 14.9113; 4.9113; 5.6099
90; 90; 120		117.187Yamanaka, T.; Ogata, K.
Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 1.69 GPa T = 293 K Note: quartz structure
Journal of Applied Crystallography, 1991, 24, 111-118
9014140 CIFGe O2P 32 2 14.9097; 4.9097; 5.6249
90; 90; 120		117.424Yamanaka, T.; Ogata, K.
Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 2.9 GPa T = 493 K Note: quartz structure
Journal of Applied Crystallography, 1991, 24, 111-118
9014264 CIFGe O2P 32 2 14.8546; 4.8546; 5.5943
90; 90; 120		114.178Yamanaka, T.; Ogata, K.
Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 3.55 GPa T = 293 K Note: quartz structure
Journal of Applied Crystallography, 1991, 24, 111-118
9014327 CIFGe O2P 32 2 14.831; 4.831; 5.568
90; 90; 120		112.539Yamanaka, T.; Ogata, K.
Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 4.58 GPa T = 293 K Note: quartz structure
Journal of Applied Crystallography, 1991, 24, 111-118
9014401 CIFSP 32 2 17.0897; 7.0897; 4.30238
90; 90; 120		187.282Crichton, W. A.; Vaughan, G. B. M.; Mezouar, M.
In situ structure solution of helical sulphur at 3 GPa and 400 deg C P = 3 GPa, T = 400 C
Zeitschrift fur Kristallographie, 2001, 216, 417-419
9014652 CIFGe O2P 32 2 14.9858; 4.9858; 5.6473
90; 90; 120		121.574Yamanaka, T.; Ogata, K.
Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 0.0001 GPa T = 293 K Note: quartz structure
Journal of Applied Crystallography, 1991, 24, 111-118
9017375 CIFTeP 32 2 14.44693; 4.44693; 5.91492
90; 90; 120		101.298Wyckoff, R. W. G.
Second edition. Interscience Publishers, New York, New York
Crystal Structures, 1963, 1, 7-83
9017409 CIFC Ca O3P 32 2 17.1239; 7.1239; 25.3203
90; 90; 120		1112.85Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.
A new structural model for disorder in vaterite from first-principles calculations
CrystEngComm, 2012, 14, 44-47

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