Crystallography Open Database

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7708813 CIFC88 H110 B2 F10 Fe4 N4 P2 S4P 110.1726; 11.9179; 18.683
97.217; 97.823; 103.604		2151.6Xu, Sunlin; Yang, Dawei; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping
Formation of thiolate-bridged diiron complexes featuring anionic isocyanide originated from the activation of counterions in the outer sphere
Dalton Transactions, 2021
7709097 CIFC55 H113 Cr3 Gd3 N3 O30P 111.8817; 12.7992; 15.9038
70.902; 73.484; 86.308		2190.08Mecchia Ortiz, Juan H.; Cabrosi, Daiana; Cruz, Carlos; Paredes-García, Verónica; Alborés, Pablo
Synthesis, structural characterization, and magnetic property study of {Cr3Ln3}, Ln = Gd and Dy complexes
Dalton Transactions, 2022
7709098 CIFC54 H111 Cr3 N3 O30 Y3P 111.8453; 12.774; 15.8177
70.849; 73.57; 86.2		2167.7Mecchia Ortiz, Juan H.; Cabrosi, Daiana; Cruz, Carlos; Paredes-García, Verónica; Alborés, Pablo
Synthesis, structural characterization, and magnetic property study of {Cr3Ln3}, Ln = Gd and Dy complexes
Dalton Transactions, 2022
7709099 CIFC55 H113 Cr3 Dy3 N3 O30P 111.84; 12.803; 15.825
70.741; 73.517; 86.314		2170.4Mecchia Ortiz, Juan H.; Cabrosi, Daiana; Cruz, Carlos; Paredes-García, Verónica; Alborés, Pablo
Synthesis, structural characterization, and magnetic property study of {Cr3Ln3}, Ln = Gd and Dy complexes
Dalton Transactions, 2022
7709303 CIFC49.7 H42.62 Cu8 K4 Mn13 Na6 O101.7P 113.0683; 15.7834; 16.6333
114.266; 99.41; 102.907		2920.1Peng, Zhiwei; Li, Shu; Li, Ao; Liao, Jiaming; Wang, Yiman; Li, Xudong; Meng, Wei; Zhang, Jian
Heterometallic Chiral [Mn13Cu8] Single-Molecule Magnets
Dalton Transactions, 2022
7709304 CIFC49.7 H45.63 Cu8 K4 Mn13 Na6 O104.6P 113.0061; 15.9364; 16.6526
114.136; 99.411; 102.301		2953.4Peng, Zhiwei; Li, Shu; Li, Ao; Liao, Jiaming; Wang, Yiman; Li, Xudong; Meng, Wei; Zhang, Jian
Heterometallic Chiral [Mn13Cu8] Single-Molecule Magnets
Dalton Transactions, 2022
7709305 CIFC92 H102 P4P 110.603; 13.87; 13.974
101.884; 96.491; 105.675		1904.9Ura, Rikako; Tsurusaki, Akihiro; Kamikawa, Ken
Palladium(II) Complexes of Bis(diphosphene) with the Different Coordination Behavior
Dalton Transactions, 2022
7709423 CIFC31 H42 B2 Cl2 N6 Ni O6P 18.7045; 12.6193; 16.8514
108.029; 91.507; 100.848		1721.6Campanella, Anthony J.; Ozvat, Tyler M.; Zadrozny, Joseph M.
Ligand design of zero-field splitting in trigonal prismatic Ni(II) cage complexes.
Dalton transactions (Cambridge, England : 2003), 2022, 51, 3341-3348
7709864 CIFC66 H67 Ag F6 N6 O15.5 PP 110.275; 12.274; 14.766
68.1; 73.46; 88.06		1650.9Kim, Dongwon; Seo, Kyeong-Deok; Shim, Yoon-Bo; Lee, Kyungsuh; Lee, Sang Hak; Lee, Young-A.; Jung, Ok-Sang
Pair of chiral 2D silver(i) enantiomers: chiral recognition of l- and d-histidine via differential pulse voltammetry
Dalton Transactions, 2022
7709865 CIFC66 H67 Ag F6 N6 O15.5 PP 110.284; 12.348; 14.787
67.17; 72.2; 87.2		1642.6Kim, Dongwon; Seo, Kyeong-Deok; Shim, Yoon-Bo; Lee, Kyungsuh; Lee, Sang Hak; Lee, Young-A.; Jung, Ok-Sang
Pair of chiral 2D silver(i) enantiomers: chiral recognition of l- and d-histidine via differential pulse voltammetry
Dalton Transactions, 2022
7709923 CIFC64 H148 K N16 Nd O2 P4P 113.798; 13.807; 24.382
96.467; 104.784; 110.524		4100Rice, Natalie T.; Popov, Ivan A.; Carlson, Rebbeca; Greer, Samuel M.; Boggiano, Andrew C.; Stein, Benjamin William; Bacsa, John; Batista, Enrique R.; Yang, Ping; La Pierre, Henry Storms
Spectroscopic and Electrochemical Characterization of a Pr4+ Imidophosphorane Complex and the Redox Chemistry of Nd3+ and Dy3+ Complexes
Dalton Transactions, 2022
7710078 CIFC36 H56 Cd2 Cl8 N4P 17.7844; 7.8052; 18.2463
94.189; 97.931; 90.917		1094.7Li, Yu-Kong; Ying, Ting-Ting; Zhang, Hao; Tan, Yu-Hui; Tang, Yun-Zhi; Wang, Fang-Xin; Wan, Ming-Yang
Unusual symmetry breaking in high-temperature enantiomeric ferroelectrics with large spontaneous polarization
Dalton Transactions, 2022
7710079 CIFC36 H56 Cd2 Cl8 N4P 17.7817; 7.7972; 18.2458
94.151; 97.976; 90.842		1093.14Li, Yu-Kong; Ying, Ting-Ting; Zhang, Hao; Tan, Yu-Hui; Tang, Yun-Zhi; Wang, Fang-Xin; Wan, Ming-Yang
Unusual symmetry breaking in high-temperature enantiomeric ferroelectrics with large spontaneous polarization
Dalton Transactions, 2022
7710202 CIFC196 H260 Cl8 Co4 Cu8 N16 O78P 116.1923; 17.1783; 20.162
90.243; 90.262; 109.057		5300.7Pilichos, Evangelos; Font-Bardia, Merce; Cano, Joan; Escuer, Albert; Mayans, Julia
Slow magnetic relaxation for cobalt(II) complexes in axial bipyramidal environment: an S = ½ spin case
Dalton Transactions, 2022
7710372 CIFC27 H27 K Mg O9P 16.6103; 12.874; 16.166
97.48; 90.45; 97.24		1352.7Petrus, Rafał; Lis, Tadeusz; Kowaliński, Adrian
Use of heterometallic magnesium-alkali metal aryloxides in ring-opening polymerization of cyclic esters
Dalton Transactions, 2022
7710553 CIFC56 H40 B Co D6 F24 N2 P2P 113.7516; 14.4882; 17.3962
106.052; 102.166; 111.963		2890.8Parsutkar, Mahesh M.; Moore, Curtis E.; RajanBabu, T. V.
Activator-free single-component Co(i)-catalysts for regio- and enantioselective heterodimerization and hydroacylation reactions of 1,3-dienes. New reduction procedures for synthesis of [L]Co(i)-complexes and comparison to in situ generated catalysts
Dalton Transactions, 2022
7710693 CIFC48 H104 N32 O272 Si136P 119.39366; 19.39366; 19.39366
90; 90; 90		7294.23Fu, Guangying; Dib, Eddy; Lang, Qiaolin; Zhao, Haonuan; Wang, Songxia; Ding, Ruiqin; Yang, Xiaobo; Valtchev, Valentin
Acidic medium synthesis of zeolites – an avenue to control the structure-directing power of the organic template
Dalton Transactions, 2022
7710742 CIFC12 H20 Br2 N Ni PP 17.276; 8.6431; 13.5955
83.197; 84.014; 71.177		801.57Li, Yang; Pelzer, Katrin; Sechet, Damien; Creste, Geordie; Matt, Dominique; Braunstein, Pierre; Armspach, Dominique
A cavity-shaped <i>cis</i>-chelating P,N ligand for highly selective nickel-catalysed ethylene dimerisation.
Dalton transactions (Cambridge, England : 2003), 2022
7711345 CIFC52 H72 B Fe N O2 P2P 110.5876; 10.6303; 10.8705
106.54; 91.651; 95.626		1165.13Narro, Ana L.; Arman, Hadi D.; Tonzetich, Zachary J.
Insertion chemistry of iron(ii) boryl complexes
Dalton Transactions, 2022
7711545 CIFC101 H128 Cl8 Cu4 Mn2 N8 O35P 112.2722; 14.5327; 17.2926
101.148; 100.531; 111.062		2714.5Pilichos, Evangelos; Font-Bardia, Merce; Mayans, Julia; Escuer, Albert
Occurrence of slow relaxation of the magnetization in a family of copper(II)/manganese(II) quasi-isotropic complexes with different ground spin states.
Dalton Transactions, 2022
7711590 CIFC25 H28 Cu F6 N4 O8 S2P 18.61725; 9.0624; 11.6675
109.288; 95.2123; 103.576		821.78Pantalon Juraj, Natalija; Tandarić, Tana; Tadić, Vanja; Perić, Berislav; Moreth, Dominik; Schatzschneider, Ulrich; Brozovic, Anamaria; Vianello, Robert; Kirin, Srećko I.
Tuning the coordination properties of chiral pseudopeptide bis(2-picolyl)amine and iminodiacetamide ligands in Zn(ii) and Cu(ii) complexes
Dalton Transactions, 2022
7711592 CIFC64.35 H81.05 Cl2 N12.35 Ni O26.7P 110.8136; 14.3149; 14.8173
114.84; 110.408; 95.136		1874.2Pantalon Juraj, Natalija; Tandarić, Tana; Tadić, Vanja; Perić, Berislav; Moreth, Dominik; Schatzschneider, Ulrich; Brozovic, Anamaria; Vianello, Robert; Kirin, Srećko I.
Tuning the coordination properties of chiral pseudopeptide bis(2-picolyl)amine and iminodiacetamide ligands in Zn(ii) and Cu(ii) complexes
Dalton Transactions, 2022
7711612 CIFC40 H32 Cr F6 N10 O4 PP 18.968; 11.1217; 11.4442
112.54; 110.284; 96.764		946.57Cheng, Yang; Yang, Qingqing; He, Jiang; Zou, Wenjie; Liao, Keyu; Chang, Xiaoyong; Zou, Chao; Lu, Wei
The energy gap law for NIR-phosphorescent Cr(III) complexes.
Dalton transactions (Cambridge, England : 2003), 2023, 52, 2561-2565
7711884 CIFC48 H120 Li2 O4 Sc2 Si8P 113.0921; 13.0811; 21.0745
90.023; 90.093; 90.071		3609.2Mortis, Alexandros; Kracht, Felix; Berger, Tassilo; Lebon, Jakob; Maichle-Mössmer, Cäcilia; Anwander, Reiner
Rare-earth-metal trimethylsilylmethyl ate complexes.
Dalton transactions (Cambridge, England : 2003), 2022, 52, 44-51
7711909 CIFC53 H62.67 B F3 N6 O5.49 P2 S WP 115.1651; 21.3862; 25.7029
98.383; 104.409; 93.786		7941.9Ludwig, Stephan; Hamann, Friederike M.; Helmdach, Kai; Villinger, Alexander; Seidel, Wolfram W.
Tuning the potential of redox-active diphosphine ligands based on the alkyne complexes [Tp*W(CO)L{η<sup>2</sup>-C<sub>2</sub>(PPh<sub>2</sub>)<sub>2</sub>}].
Dalton transactions (Cambridge, England : 2003), 2023, 52, 326-337
7712416 CIFC40 H48 F4 N4 O6 Zn2P 18.12372; 10.6734; 12.4777
64.9809; 75.1697; 78.0265		941.64Essien, Nsikak B.; Galvácsi , Antal Tamás; Kállay, Csilla; Al-Hilaly, Youssra Kareem; Gonzalez-Mendez, Ramon; Akien, Geoffrey; Tizzard, Graham J.; Coles, Simon; Besora, Maria; Kostakis, George E.
Fluorine-based Zn salan complexes
Dalton Transactions, 2023
7712417 CIFC40 H48 F4 N4 O6 Zn2P 18.1202; 10.667; 12.4761
64.867; 75.15; 78.068		939.73Essien, Nsikak B.; Galvácsi , Antal Tamás; Kállay, Csilla; Al-Hilaly, Youssra Kareem; Gonzalez-Mendez, Ramon; Akien, Geoffrey; Tizzard, Graham J.; Coles, Simon; Besora, Maria; Kostakis, George E.
Fluorine-based Zn salan complexes
Dalton Transactions, 2023
7712418 CIFC46 H53.5 F12 N4 O10.75 Zn2P 18.7181; 11.4705; 13.6295
81.28; 72.282; 85.815		1282.78Essien, Nsikak B.; Galvácsi , Antal Tamás; Kállay, Csilla; Al-Hilaly, Youssra Kareem; Gonzalez-Mendez, Ramon; Akien, Geoffrey; Tizzard, Graham J.; Coles, Simon; Besora, Maria; Kostakis, George E.
Fluorine-based Zn salan complexes
Dalton Transactions, 2023
7712491 CIFC18 H19 Al Cl2 N2 OP 18.0568; 9.7524; 12.7427
73.172; 75.07; 72.673		898.63Dissanayake, 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
7712492 CIFC54 H51 Al Cl2 F2 N2 OP 110.0591; 10.2551; 12.5367
113.677; 95.189; 102.207		1135.18Dissanayake, 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
7712493 CIFC48 H48 N2 OP 110.4019; 13.797; 15.2529
66.674; 77.295; 77.259		1939Dissanayake, 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
7712554 CIFC154.5 H178 Cl8 F2 N6 Re2P 114.706; 16.346; 17.419
84.392; 82.455; 63.855		3722.5Claude, Guilhem; Kulitzki, Erika; Hagenbach, Adelheid; Roca Jungfer, Maximilian; Figueroa, Joshua S.; Abram, Ulrich
Phenylimido Complexes of Rhenium: Fluorine Substituents Provide Protection, Reactivity and Solubility
Dalton Transactions, 2023
7712600 CIFC24 H38 B2 Co2 N16 O14 S2P 19.1985; 9.6099; 11.5412
76.555; 87.681; 82.367		983.4Deng, Yan-Ling; Chen, An-Na; Li, Wei; Xin, Shu-Sheng; Pan, Chun-Yang
Exploration of the oxygen reduction reaction activity of four transition metal borates: synthesis, structure and characterization.
Dalton transactions (Cambridge, England : 2003), 2023
7712803 CIFC43 H67 B F6 N7 O2 YbP 111.6419; 12.1357; 17.4345
100.123; 107.912; 90.396		2302.4Katzenmayer, Markus; Kracht, Felix; Maichle-Moessmer, Caecilia; Anwander, Reiner
Potential precursors for terminal ytterbium(II) imide complexes bearing the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand
Dalton Transactions, 2023
7712818 CIFC24 H29 Ce N5 O10P 110.0554; 11.1554; 13.6202
68.712; 86.023; 74.342		1370.03Gumbo, Maureen; Makhubela, Banothile C.E.; Mehlana, Gift
Two Novel Metal-Organic Frameworks functionalised with pentamethylcyclopentadienyl iridium(III) chloride for catalytic conversion of carbon dioxide to formate
Dalton Transactions, 2023
7713009 CIFC14 H18 N2 Ni O5P 16.061; 7.009; 10.677
89.49; 84.51; 87.4		451.03Muthukumar, Pandi; Arunkumar, Gunasekaran; Pannippara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip
Water coordinated Ni complex and 2D Ni-MOF: Topology dependent highly enhanced electrocatalytic OER activity
Dalton Transactions, 2023
7713126 CIFC27 H35 Cl N2 PdP 18.91439; 11.5588; 13.5263
70.3306; 83.4315; 80.1947		1290.8Kong, Lingyu; Chou, Yajie; ALBALAT, Muriel; Jean, Marion; Vanthuyne, Nicolas; Nava, Paola; Humbel, Stéphane; Clavier, Hervé
C2-Symmetric Atropisomeric N-Heterocyclic Carbene-Palladium(II) Complexes: Synthesis, Chiral Resolution and Application in enantioselective α-Arylation of Amides
Dalton Transactions, 2023
7713234 CIFC42 H94.38 Cl6 Co3 N9 O9.69P 19.3476; 10.4026; 15.774
76.878; 78.518; 89.593		1462.74Raymond, Jaclyn; Abozeid, Samira M.; Sokolow, Gregory Evan; Bond, Christopher J.; Yap, Constance E.; Nazarenko, Alexander Y.; Morrow, Janet
Co(II) complexes of tetraazamacrocycles appended with amide or hydroxypropyl groups as paraCEST agents
Dalton Transactions, 2023
7713241 CIFC7 H6 K N3 O2 SP 14.2204; 6.0284; 9.659
84.14; 80.32; 78.44		236.74Gond, M. K.; Rai, Nilesh; Chandra, Brijesh; Gautam, Vibhav; Garai, Somenath; Butcher, R. J.; Bharty, Manoj K.
Isolation of potassium salt of oxadiazole-2-thione and In Vitro Anticancer Activities of its Cu(II) and Zn(II) complexes against MDA-MB-231 human breast carcinoma cells
Dalton Transactions, 2023
7713243 CIFC119.5 H205.5 Cl16 Mn4 N16P 116.9646; 17.3879; 26.959
81.6; 78.332; 67.56		7177.4Chen, Peng; Jiao, Shulin; Tang, Zheng; Sun, Xiaofan; Li, Dong; Yang, Zhu; Lu, Yanzhou; Zhang, Wentao; Cai, Hong-Ling; Wu, X. S.
A room temperature ferroelectric material with photoluminescence: (1,3-dicyclohexylimidazole)<sub>2</sub>MnCl<sub>4</sub>.
Dalton transactions (Cambridge, England : 2003), 2023
7713253 CIFC27 H31 O2 SbP 18.8969; 9.3354; 15.1475
76.082; 78.93; 74.721		1166.83Lindquist-Kleissler, Brent; Johnstone, Timothy C.
Models of the putative antimony(V)-diolate motifs in antileishmanial pentavalent antimonial drugs.
Dalton transactions (Cambridge, England : 2003), 2023
7713298 CIFC16 H30 Cl4 N4 O SeP 18.57; 8.857; 9.228
73.69; 72.73; 63.57		589.8Bonnin, Maxime A.; Feldmann, Claus
Oxychloridoselenites(IV) with cubane-derived anions and stepwise chlorine-to-oxygen exchange.
Dalton transactions (Cambridge, England : 2003), 2023
7713414 CIFC11 H26 Mg2 N2 O15 P2P 18.268; 8.892; 9.5432
110.668; 104.445; 107.384		574.86Luo, Lisiteng; Wen, Xuemei; Cheng, Juan; Li, Jing; Zeng, Hongmei; Zou, Guohong; Lin, Zhien
Solvent-free synthesis of magnesium phosphite-oxalates showing second-harmonic generation responses
Dalton Transactions, 2023
7713522 CIFC52 H56 Cu2 N4 O12 S4P 110.68048; 11.3883; 12.62996
72.3194; 67.0804; 84.0598		1347.91Fan, Rong; Wei , Jing-Chen; Xu, Bing-Bing; Jin, Nan; Gong, Xiao-Yi; Qin, Xiuying
A novel chiral oxazoline copper(Ⅱ)-based complex inhibits ovarian cancer growth in vitro and vivo by regulating VEGF/VEGFR2 downstream signaling pathways and apoptosis factors
Dalton Transactions, 2023
7713954 CIFC32 H25 N7 O2P 18.3258; 13.2735; 13.4369
64.991; 86.277; 73.168		1285.23Siddique, Rashid G.; Whittaker, Jacob J.; AL-Fayaad, Hydar; McMurtrie, John C.; Clegg, Jack Kay
Remote stereocentres do not disrupt the stereochemical coupling in homochiral [M2L3] helicates and [M4L6] tetrahedra
Dalton Transactions, 2023
7714152 CIFC10 H24 N2 O8 PtP 18.2831; 9.6777; 10.192
73.15; 76.8; 80.7		757.3Maier, Thomas; Wutschitz, Judith; Gajic, Natalie; Hejl, Michaela; Cseh, Klaudia; Mai, Sebastian; Jakupec, Michael; Galanski, Mathea Sophia; Keppler, Bernhard K.
Not the usual suspect – an unexpected organometallic product during the synthesis of a cytotoxic platinum(II) complex
Dalton Transactions, 2023
7714223 CIFC84 H70 Cl2 Cu2 N5 O8 P4P 112.809; 13.334; 13.599
111.45; 91.19; 113.6		1942.5Wang, Li-Xin; Cheng, Shun-Cheung; Liu, Yingying; Leung, Chi-Fai; Liu, Jiyan; Ko, Chi-Chiu; Lau, Tai-Chu; Xiang, Jing
Synthesis, structure and photoluminescence of Cu(I) complexes containing new functionalized 1,2,3-triazole ligands
Dalton Transactions, 2023
7714700 CIFC36 H28 Cu6 Mo12 N30 O42 SiP 112.1212; 12.3376; 13.905
99.5642; 98.4242; 113.421		1829Hou, Yujiao; Han, Peilin; Li, Hao; Zhang, Shixing; Qin, Mengge; Zhang, Nan; Fu, Bingbing; Mao, Ruitao; Ge, Suxiang
Bifunctional 3D POM-based coordination polymers for improved pseudocapacitance and catalytic oxidation performance.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 1541-1550
7714733 CIFC36 H46 N4 Ni O4P 17.9269; 10.0993; 11.2121
71.267; 81.256; 77.531		826.67Sanz-Garrido, Jorge; Martin, Avelino; González-Arellano, Camino; Flores, Juan C.
Half-sandwich Ni(II) complexes bearing enantiopure bidentate NHC-carboxylate ligands: efficient catalysts for the hydrosilylative reduction of acetophenones.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 1460-1468
7714759 CIFC74 H46 Cl2 F6 Mn N8 O2 P2 SbP 19.3814; 11.7093; 15.1727
77.135; 81.131; 89.347		1604.99McKearney, Declan; MacDonald, Kyle; Kim, Min Suk; Williams, Vance E.; Leznoff, Daniel B.
Tuning the visible colour of octahedral manganese(III) phthalocyanines <i>via</i> axial ligand exchange.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 938-948
7714880 CIFC32 H28 Ag F12 N10 O2 SbP 16.4313; 9.83; 15.7404
100.272; 99.905; 97.173		952.06Stanković, Mia; Kljun, Jakob; Stevanović, Nevena Lj; Lazic, Jelena; Skaro Bogojevic, Sanja; Vojnovic, Sandra; Zlatar, Matija; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I; Glišić, Biljana Đ
Silver(I) complexes containing antifungal azoles: significant improvement of the anti-<i>Candida</i> potential of the azole drug after its coordination to the silver(I) ion.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 2218-2230
7715013 CIFC50 H49 Cl2 Cu5 N10 O52 P3 W12P 110.9802; 12.7843; 15.3506
88.028; 84.166; 80.584		2114.44Peng, Cai-Hong; Li, Guanghua; Li, Ke-Chang; Cui, Xiao-Bing
Six polyoxotungstate-based transition metal compounds for electrochemical capacitor application and a comparative analysis of factors affecting capacitances.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 3499-3510
7715017 CIFC72 H58 N12 O45 P W12 Zn2P 112.0386; 13.6743; 14.7316
105.088; 90.564; 97.682		2318Peng, Cai-Hong; Li, Guanghua; Li, Ke-Chang; Cui, Xiao-Bing
Six polyoxotungstate-based transition metal compounds for electrochemical capacitor application and a comparative analysis of factors affecting capacitances.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 3499-3510
7715157 CIFC31 H36 Cl N2 O4 ReP 18.9975; 12.9898; 13.9898
110.232; 107.742; 91.611		1444.82Pivarcsik, Tamás; Kiss, Márton A; Rapuš, Uroš; Kljun, Jakob; Spengler, Gabriella; Frank, Éva; Turel, Iztok; Enyedy, Éva A
Organometallic Ru(II), Rh(III) and Re(I) complexes of sterane-based bidentate ligands: synthesis, solution speciation, interaction with biomolecules and anticancer activity.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 4984-5000
7715394 CIFC43 H45 Al N2P 19.7049; 10.1111; 10.2297
96.732; 103.215; 114.685		861.88Werner, Luis; Hagn, Julika; Gerstner, Alexander; Radius, Udo
NHC-ligated indenyl- and fluorenyl-substituted Alanes and Gallanes: synthons towards indenyl- and fluorenyl-bridged (AlC)<sub><i>n</i></sub>-heterocycles (<i>n</i> = 2,3).
Dalton transactions (Cambridge, England : 2003), 2024, 53, 5932-5946
7715480 CIFC41 H44 N6 O5 ZnP 111.4625; 13.1925; 14.4678
67.905; 83.474; 70.309		1908.38Liu, Jiaxiang; Zhao, Yuzhen; Zhang, Zhe; Li, Manni; Song, Wenqi; Li, Wentao; Miao, Zongcheng
Circularly polarized blue fluorescence based on chiral heteroleptic six-coordinate <i>bis</i>-pyrazolonate-Zn<sup>2+</sup> complexes.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 6625-6630
7715513 CIFC170 H256 B2 Co2 Fe2 N28 O22 S2P 112.8879; 17.7778; 22.5479
75.892; 79.585; 71.793		4728.7Mihara, Nozomi; Iitsuka, Soyoka; Shiga, Takuya; Nihei, Masayuki
Reversible structural change of [Co<sub>2</sub>Fe<sub>2</sub>] complexes between diamagnetic hydrogen-bonded 1D chains and paramagnetic complexes within a layered structure of amphiphilic anions.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 7190-7196
7715515 CIFC170 H250 B2 Co2 Fe2 N28 O16 S2P 113.052; 16.203; 23.83
77.546; 78.183; 72.12		4631Mihara, Nozomi; Iitsuka, Soyoka; Shiga, Takuya; Nihei, Masayuki
Reversible structural change of [Co<sub>2</sub>Fe<sub>2</sub>] complexes between diamagnetic hydrogen-bonded 1D chains and paramagnetic complexes within a layered structure of amphiphilic anions.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 7190-7196
7715737 CIFC72 H162 Fe Ge2 O26 Si6P 113.0028; 13.4308; 17.3272
92.082; 110.355; 114.958		2511.7Dombrowski, James P.; Kalendra, Vidmantas; Ziegler, Micah S.; Lakshmi, K. V.; Bell, Alexis T.; Tilley, T. Don
M-Ge-Si thermolytic molecular precursors and models for germanium-doped transition metal sites on silica.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 7340-7349
8000151 CIFC20.5 H28.5 Cl1.5 O6P 17.627; 12.066; 12.701
63.76; 82.24; 80.17		1030.7Yoshida, Sanae; Kito, Keijiro; Ooi, Takashi; Kanoh, Kaneo; Shizuri, Yoshikazu; Kusumi, Takenori
Four Pimarane Diterpenes from Marine Fungus: Chloroform Incorporated in Crystal Lattice for Absolute Configuration Analysis by X-ray
Chemistry Letters, 2007, 36, 1386
8000160 CIFC40 H41 N O5P 16.194; 10.686; 13.007
91.913; 91.046; 99.929		847.3Konishi, Atsuko; Wei, Weilin; Kobayashi, Masato; Fujinami, Shuhei; Ukaji, Yutaka; Inomata, Katsuhiko
Catalytic Asymmetric Addition of Alkynylzinc Reagents to Nitrones
Chemistry Letters, 2007, 36, 44
8000217 CIFH15 N3 O10 P2 ZrP 18.1432; 12.718; 5.2463
91.85; 92.16; 74.25		522.426Wang, D.; Yu, R.; Kajiyoshi, K.; Takei, T.; Onda, A.; Yanagisawa, K.; Kinomura, N.; Kumada, N.
Non-aqueous synthesis and structure of a novel monodimensional zirconium phosphate : (N H4)3 (Zr (O H)2 (P O4) (H P O4))
Chemistry Letters, 2002, 2002, 398-399
8000302 CIFC29 H52 N10 O17P 114.002; 4.879; 15.1
75.234; 75.88; 78.894		957.957Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro
Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.
The journal of physical chemistry letters, 2019, 6973-6982
8000303 CIFC29 H52 N10 O17P 114.002; 4.879; 15.1
75.234; 75.88; 78.894		957.957Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro
Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.
The journal of physical chemistry letters, 2019, 6973-6982
8000304 CIFC29 H52 N10 O17P 114.002; 4.879; 15.1
75.234; 75.88; 78.894		957.957Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro
Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.
The journal of physical chemistry letters, 2019, 6973-6982
8000361 CIFC14 H18 Co N2 O5P 16.0709; 7.0907; 10.6664
89.559; 95.237; 92.593		456.77Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000362 CIFC14 H18 Co N2 O5P 16.0538; 7.0936; 10.6609
89.535; 95.383; 93.181		455.09Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000363 CIFC14 H18 Co N2 O5P 16.047; 7.0945; 10.6587
89.505; 95.443; 93.326		454.43Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000364 CIFC14 H18 Co N2 O5P 16.0405; 7.0949; 10.6576
89.484; 95.509; 93.428		453.82Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000365 CIFC14 H18 Co N2 O5P 16.0307; 7.097; 10.6526
89.391; 95.588; 93.571		452.88Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000366 CIFC14 H18 Co N2 O5P 16.0076; 7.0951; 10.6488
89.126; 95.853; 93.642		450.6Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000367 CIFC14 H18 Co N2 O5P 15.9924; 7.0915; 10.6453
88.987; 96.008; 93.603		448.97Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000368 CIFC14 H18 Co N2 O5P 15.9793; 7.0877; 10.6426
88.93; 96.108; 93.52		447.59Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000372 CIFC14 H18 Co N2 O5P 16.006; 7.0672; 10.657
89.92; 95.2; 92.71		450Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000373 CIFC14 H18 Co N2 O5P 15.9847; 7.0514; 10.628
90.03; 95.46; 93.21		445.8Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000374 CIFC14 H18 Co N2 O5P 15.9454; 7.058; 10.616
90.27; 95.74; 94.245		442Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000375 CIFC14 H18 Co N2 O5P 15.958; 7.069; 10.669
90; 95.21; 92.76		447Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000376 CIFC14 H18 Co N2 O5P 15.9012; 7.0666; 10.625
90.369; 96.279; 94.712		438.88Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000377 CIFC14 H18 Co N2 O5P 15.8752; 7.0561; 10.609
90.36; 96.55; 94.743		435.38Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000378 CIFC14 H18 Co N2 O5P 15.8426; 7.0452; 10.585
90.43; 96.62; 94.933		431.13Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000379 CIFC14 H18 Co N2 O5P 15.8059; 7.0187; 10.556
90.42; 96.96; 95.048		425.26Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000380 CIFC14 H18 Co N2 O5P 15.7562; 6.9942; 10.529
90.32; 97.38; 95.055		418.69Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000381 CIFC14 H18 Co N2 O5P 15.73; 6.986; 10.533
89.56; 97.77; 95.04		416.1Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000382 CIFC14 H18 Co N2 O5P 15.7216; 6.9763; 10.501
89.95; 97.84; 94.966		413.7Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000383 CIFC14 H18 Co N2 O5P 15.6799; 6.9641; 10.479
88.725; 98.587; 94.902		408.34Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000384 CIFC14 H18 Co N2 O5P 15.639; 6.945; 10.465
88.69; 98.8; 94.7		403.6Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000385 CIFC14 H18 Co N2 O5P 15.6089; 6.9221; 10.434
87.77; 99.6; 94.788		397.91Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000386 CIFC14 H18 Co N2 O5P 15.571; 6.8976; 10.411
87.263; 100.31; 94.672		392.1Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000388 CIFC14 H16 Co N2 O5P 15.744; 6.981; 10.557
90.04; 97.92; 94.77		417.8Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000484 CIFC H6 Br3 N PbP 116.9314; 11.7303; 41.194
90; 90; 90		8181.6Wiedemann, Dennis; Breternitz, Joachim; Paley, Daniel W.; Schorr, Susan
Hybrid Perovskite at Full Tilt: Structure and Symmetry Relations of the Incommensurately Modulated Phase of Methylammonium Lead Bromide, MAPbBr<sub>3</sub>.
The journal of physical chemistry letters, 2021, 12, 2358-2362
8000509 CIFC2.15 H2.5 Fe0.04 N0.15 O0.46P 112.1314; 12.1865; 12.2183
62.882; 85.647; 61.341		1387.1Liu, Bingyu; Hao, Aiyou; Xing, Pengyao
Water-Mediated Folding Behaviors and Chiroptical Inversion of Ferrocene-Conjugated Dipeptides
The Journal of Physical Chemistry Letters, 2021, 6190-6196
8000512 CIFC55 H37 Eu F12 N4 O8P 110.079; 11.021; 12.037
94.336; 98.721; 91.7938		1316.6Okayasu, Yoshinori; Yuasa, Junpei
Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.
The journal of physical chemistry letters, 2021, 6867-6874
8000513 CIFC53 H34 Br3 Eu F9 N3 O8P 110.198; 10.878; 12.588
98.433; 107.288; 98.919		1289.4Okayasu, Yoshinori; Yuasa, Junpei
Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.
The journal of physical chemistry letters, 2021, 6867-6874
8000517 CIFC56 H34 Eu F9 N6 O8P 110.2252; 15.936; 16.583
83.578; 81.734; 86.63		2654.8Okayasu, Yoshinori; Yuasa, Junpei
Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.
The journal of physical chemistry letters, 2021, 6867-6874
8000518 CIFC56 H34 Cl3 Eu F9 N3 O8P 110.3011; 11.0339; 12.1085
93.001; 97.851; 92.865		1359.23Okayasu, Yoshinori; Yuasa, Junpei
Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.
The journal of physical chemistry letters, 2021, 6867-6874
8000519 CIFC56 H43 Eu F9 N3 O11P 110.396; 11.164; 12.73
100.881; 109.334; 97.095		1341.2Okayasu, Yoshinori; Yuasa, Junpei
Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.
The journal of physical chemistry letters, 2021, 6867-6874
8100276 CIFC8 H12 Br N O3P 15.7279; 7.5393; 12.5716
106.535; 95.896; 104.285		495.54Frey, Wolfgang; Bierer, Lars; Jäger, Volker
Crystal structure of (3S,4R,5R)-5-bromomethyl-3,4-isopropylidenedioxy- 3,4-dihydro-5H-pyrrole-1-oxide, C~8~H~12~BrNO~3~
Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 107-108
8100333 CIFC14 H28 N2 O12 ZnP 17.189; 7.764; 9.843
79.16; 87.8; 71.29		510.93Zheng, Yue-Qing; Lin, Jian-Li; Jiang, Jian-Ye
Crystal structure of tetraaqua(μ-4,4'-bipyridine-N,N')zinc(II) succinate tetrahydrate, Zn(H~2~O)~4~(C~10~H~8~N~2~)(C~4~H~4~O~4~) · 4H~2~O
Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 229-230
8100743 CIFC10 H17 N O2P 17.197; 12.928; 17.966
87.14; 81.75; 79.78		1627.5Zhang, Li-Xue; Hu, Mao-Lin; Zhang, An-Jiang; Xiang, Guang-Qi
Crystal structure of 2,6,6-trimethyl-2-hydroxybicyclo[3.1.1]-3-heptanone oxime, C~10~H~17~NO~2~
Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 494-496
8100775 CIFC25 H31 O2 RhP 16.406; 8.532; 10.226
72.38; 84.03; 88.24		529.8Spannenberg, Anke; Fdil, Naina; El Firdoussi, Larbi; Karim, Abdellah
Crystal structure of [(1R)-(+)-3-benzoyl-camphoryl-O,O'](cycloocta- 1,5-diene)rhodium(I), C~25~H~31~O~2~Rh
Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 549-550
8100884 CIFC72 H86 Cl F12 Fe N2 O5 P4P 114.094; 21.592; 13.66
107.52; 101.97; 80.8		3857Pajunen, A.; Mutikainen, I.; Haikarainen, A.; Sipilä, J.
Crystal structure of chloro{2,2'-[(R,R)-cyclohexane-1,2-diylbis (nitrilomethylidyne)]-bis[6-tert-butyl-4-(triphenylphosphoniomethyl) phenolato]-O,N,N',O'}-iron(III) bis(hexafluorophosphate) tris(ethanol) solvate, [Fe(C~66~H~68~N~2~O~2~P~2~)Cl](PF~6~)~2~ · 3C~2~H~6~O
Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 147-150
8100888 CIFH3 Hg I O6P 14.8085; 5.3115; 5.6116
65.307; 76.451; 63.859		116.68Mormann, Thomas J.; Jeitschko, Wolfgang
Crystal structure of mercury(II) trihydrogenhexaoxoiodate(VII), HgH~3~IO~6~
Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 1-2
8101004 CIFC16 H18 N2 O9P 18.215; 9.826; 21.721
94.987; 96.316; 90.005		1735.9Dai, Qing; Piccirilli, Joseph A.; Zheng, Chong; Li, Shoujian
Crystal structure of 3',5'-di-O-acetyl-2'-C-α-acetyl-oxymethyl- 2,2'-anhydro-1-(β-D-arabinofuranosyl)uracil, C~16~H~18~N~2~O~9~
Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 343-346
8101184 CIFC19 H35 N O11 S2P 18.2006; 9.368; 10.141
76.382; 67.417; 71.612		676.8Frey, Wolfgang; Blanarikova, Iva; Zimmermann, Peter Jan; Jäger, Volker
Crystal structure of (2S,3R,4S,1'R,2'S)-3,4-dimethanesulfonyloxy-2- [2,3-O-isopropylidenedioxy-1-(tert-butoxycarbonylamino)propyl]-5,5- dimethyltetrahydrofuran, C~19~H~3~5NO~11~S~2~
Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 129-130
8101233 CIFC32 H27 N P2P 18.961; 16.663; 18.08
94.83; 95.82; 98.23		2645Robert, Frédéric; Gimbert, Yves; Averbuch-Pouchot, Marie-Thér; Greene, Andrew
Crystal structure of <i>N,N</i>-bis(diphenylphosphino)-<i>N</i>-( (S)-α-methylbenzyl)amine, C~32~H~29~NP~2~
Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 233-236
8101416 CIFB2 H6 Mg4 O20 P4P 16.4522; 6.4547; 8.3603
82.504; 82.56; 80.982		338.82Hauf, Cornelia; Boy, Insan; Kniep, Rüdiger
Crystal structure of dimagnesium (monohydrogenmonophosphate- dihydrogenmonoborate-monophosphate), Mg~2~[BP~2~O~7~(OH)~3~]
Zeitschrift für Kristallographie - New Crystal Structures, 1999, 214, 3-4
8101459 CIFC20 H29 Cl N2 O2P 17.0746; 8.8235; 16.0023
84.671; 89.926; 85.615		991.66Csöregh, Ingeborg; Sandberg, Rune
Crystal structure and absolute configuration of 1'-[3-(diethylamino) propyl]-3,4-dihydrospiro[naphthalene-1(2H),3'-pyrrolidine-2',5'-dione hydrochloride, RAC-109 I ·HCl, C20H28N2O2 · HCl
Zeitschrift für Kristallographie - New Crystal Structures, 1999, 214, 227-229
8101740 CIFC12 H19 Cl3 N2 OP 16.894; 9.185; 12.07
76.01; 88.34; 86.87		740.4G.-V. Röschenthaler; E. Lork; D. V. Sevenard; W. Greb
Crystal structures of R-(-)- and S-(+)-1-(4-amino-3,5-dichlorophenyl)- 2-tert-butylaminoethanol hydrochloride, (C~12~H~19~Cl~2~N~2~O)Cl
Zeitschrift für Kristallographie - New Crystal Structures, 2005, 220, 180-182
8101879 CIFC22 H19 Cu N3 O5 SP 16.2202; 9.416; 10.3386
109.186; 105.136; 103.455		517.27Wang, J.-G.; Ma, L.-F.; Wang, L.-Y.; Wang, Y.-H.; Liu, R.
Crystal structure of (1,10-phenanthroline)(N-tosylserinato)copper (II), Cu(C~12~H~8~N~2~)(C~10~H~11~NO~5~S)
Zeitschrift für Kristallographie - New Crystal Structures, 2005, 220, 606-608
8101998 CIFC62 H64 Cu2 I2 O4 P4P 110.0989; 12.8084; 12.8423
65.074; 84.31; 87.854		1498.99Deng, Y.-H.; Yang, Y.-L.; Yang, X.-J.
Crystal structure of diiodo-bis[(4R,5R)-trans-4,5-bis[(diphenylphosphinomethyl)- 2,2-dimethyl-1,3-dioxalane]dicopper(I), Cu~2~I~2~(C~31~H~32~O~2~P~2~)~2~
Zeitschrift für Kristallographie - New Crystal Structures, 2006, 221, 316-318
8102103 CIFC11 H12 O5P 15.2719; 7.2944; 7.5948
79.286; 70.251; 71.238		259.3Tan, S.-S.; Wen, H.-L.; Liu, C.-B.; Peng, X.-P.; Li, X.-S.
Crystal structure of 3-(4-(carboxymethoxy)phenyl)propanoic acid, C~11~H~12~O~5~
Zeitschrift für Kristallographie - New Crystal Structures, 2007, 222, 137-138
8103384 CIFAg0.83 Bi0.33 S2 Sb0.625P 17.76; 8.85; 8.23
100.18; 90.72; 103.83		539.289Nowacki, W.; Mullen, D.J.E.
The crystal structure of Aramayoite Ag (Sb, Bi) S2
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1974, 139, 54-69
8103436 CIFAu1.89083 Te3.03167P 112.123; 13.42; 10.783
104.36; 97.45; 108.03		1574.93Edenharter, A.; Bente, K.; Steins, M.
Strukturuntersuchungen an Montbrayit, Au2 Te3
Zeitschrift fuer Kristallographie, Supplement Issue, 1991, 3, 63-64
8103549 CIFS4 Sb Tl3P 16.285; 6.364; 11.647
94.61; 98.51; 103.93		443.898Gostojic, M.; Engel, P.; Nowacki, W.
The crystal structure of synthetic Tl3 Sb S4
Zeitschrift fuer Kristallographie (149,1979-), 1981, 157, 299-308
8103619 CIFI K O3P 18.923; 8.942; 7.709
54.4; 125.3; 90.6		355.561Hamid, S.A.
Symmetrie von K I O3 und die Struktur der Zimmertemperaturphase
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1973, 137, 412-421
8103721 CIFFe2 O7 P2P 15.517; 5.255; 4.488
98.73; 98.33; 103.81		122.647Stefanidis, T.; Nord, A.G.
The crystal structure of iron(II) diphosphate, Fe2 P2 O7
Zeitschrift fuer Kristallographie (149,1979-), 1982, 159, 255-264
8104079 CIFBr7 Cu Pb3P 17.8414; 23.671; 13.7702
90.037; 90.284; 89.999		2555.91Oldag, T.; Keller, H.L.
Solvothermal Synthesis and Crystal Structure of beta- and gamma- Cu Pb3 Br7
Zeitschrift fuer Kristallographie (149,1979-), 2005, 220, 152-157
8104119 CIFH5 N Nd O8.5 S2P 16.8919; 6.9139; 9.6196
109.64; 97; 109.62		392.149Wickleder, M.S.
Nd (N H2 S O3) (S O4) * 1.5 H2 O: a non-centrosymmetric amidosulfate-sulfate of neodymium
Zeitschrift fuer Kristallographie (149,1979-), 2005, 220, 192-195
8104337 CIFAs19 Pb4 S68 Sb21 Tl8P 116.32; 42.636; 8.543
83.98; 89.06; 83.2		5869.97Nagl, A.
The crystal structure of a thallium sulfosalt Tl8 Pb4 Sb21 As19 S68
Zeitschrift fuer Kristallographie (149,1979-), 1979, 150, 85-106
8104527 CIFAl H O10 Si4P 15.867; 4.927; 7.524
93; 113.1; 90.1		199.7Effenberger, H.; Fuess, H.; Muller, G.; Vogt, T.
Crystal structure and hydrogen bonding in Li/H-exchanged petalite, HAlSi4O10
Zeitschrift fur Kristallographie, 1991, 197, 27-40
8104725 CIFC13 H17 Cl2 N O2P 17.1486; 7.8265; 13.6579
81.085; 77.487; 73.335		711.13Luelf, U. Joost; Reiss, Guido J.; Bokel, Ansgar; Urlacher, Vlada B.
Selective biocatalytic synthesis and crystal structure of (2R,6R)-hydroxyketaminium chloride, C13H17Cl2NO2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 827-829
8104909 CIFC26 H40 Au F N O P SP 19.62498; 11.78239; 12.74349
78.7411; 73.5635; 76.6096		1335.34Yeo, Chien Ing; Tan, Yee Seng; Tiekink, Edward R. T.
Crystal structure of (tricyclohexylphosphane-κP)-[(Z)-N-(3-fluorophenyl)-O-methylthiocarbamato-k1 S]gold(I), C26H40AuFNOPS
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 157-161
8105360 CIFC20 H30 OP 16.6084; 10.8811; 12.0845
85.719; 79.547; 89.903		852.1Dong, Ming-Hong; Ye, Jiang-Hai; Zhao, Chen-Liang; Zhou, Lang; Zou, Juan; Zhang, Jing-Jie
Crystal structure of isopimara-7,15-dien-3-one, C20H30O
Zeitschrift für Kristallographie - New Crystal Structures, 2020, 235, 1003-1005
8105996 CIFC12 H21 Ag2 N5 O8 S2P 16.3703; 6.4191; 12.3215
87.841; 75.119; 87.489		486.3Jiang, Jin-Ke; Li, Xi-Xi; Jiang, Hui; Dong, Xian-Wu
Crystal structure of poly[aqua(μ2-2-amino-1,4-benzenedisulfonato-κ3N,O:O′)-(μ4-hexamethylenetetramino-κ4N:N′:N′′:N′′′)disilver(I)] monohydrate, C12H21Ag2N5O8S2
Zeitschrift für Kristallographie - New Crystal Structures, 2019, 234, 1251-1252
8106127 CIFC20 H34 N4 OP 17.8545; 10.8802; 12.3714
73.2; 75.372; 71.091		942.65Cheng, Xing-An; Zhan-Mei, Liu; Bo, Wu; Su-Qing, Huang; Xia-Ling, Xiong; Xu-Hong, Jiang
The crystal structure of a matrine derivative: 41 S,7aS,12S,13aR,13bR)-12-(4-methylpiperazin-1-yl)dodecahydro-1H,5H,10H-dipyrido[2,1-f:3′,2′,1′-ij][1,6]naphthyridin-10-one, C20H34N4O
Zeitschrift für Kristallographie - New Crystal Structures, 2018, 233, 283-285
8106452 CIFC60 H72 N2 O12P 19.6569; 10.9361; 13.8551
113.198; 95.632; 91.114		1335.72Wu, Xiangxiang; Zai, Yanbing
Crystal structure of tripropylammonium 2′-carboxy-[1,1′-biphenyl]-2-carboxylate – [1,1′-biphenyl]-2,2′-dicarboxylic acid (2/1), C60H72N2O12
Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 117-119
8106647 CIFC4 H5 N3 O2P 13.8976; 5.7235; 6.267
89.63; 84.8; 76.97		135.63Jianlong, Wang; Pengbao, Lian; Lizhen, Chen
Crystal structure of the triclinic modification of 1-methyl-4-nitroimidzole, C4H5N3O2
Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 699-700
8106729 CIFC10 H17 Cl N2 O10 SnP 16.6666; 6.6892; 8.8779
101.34; 99.624; 91.279		382.09Fu, Zhihai; Chen, Bo; He, Aidang; Lv, Xia; Wei, Xin; Feng, Xiaojie; Huang, Chao; Xia, ChuanQin; Jin, Yongdong
The crystal structure of oxonium chlorido-ethylenediaminetetraactetotin(IV) hydrate, C10H17ClN2O10Sn
Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 941-942
8106999 CIFC17 H20 F2 N4 O3 SP 16.002; 6.765; 11.831
89.39; 86.29; 66.5		439.55Wang, Kun-Yan; Yang, Xiao-Li
This molecule targets at type 2 diabetes - a single crystal study on (2R,3S,5R)-2-(2,5-difluorophenyl)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl] tetrahydro-2H-pyran-3-amine (Omarigliptin), C17H20F2N4O3S
Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 763-765
8107160 CIFC20 H22 F3 N3 O SP 16.9678; 10.7614; 13.0503
76.87; 88.004; 87.275		951.6Al-Wahaibi, Lamya H.; Ghabbour, Hazem A.; Al-Omary, Fatmah A. M.; Tiekink, Edward R. T.; El-Emam, Ali A.
Crystal structure of 5-(adamantan-1-yl)-3-[(4-trifluoromethylanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione, C20H22F3N3OS
Zeitschrift für Kristallographie - New Crystal Structures, 2022, 237, 587-591
8107500 CIFC28 H41 N OP 16.3144; 9.7315; 10.5867
111.561; 96.486; 97.128		591.41Zhao, Jin-Feng; Zhang, Wen-Wen; Ye, Jiang-Hai; He, Kang; Zou, Juan
Synthesis and crystal structure of 1-((3R,10S,13S,17S)-10,13-dimethyl-3-(m-tolylamino)hexadecahydro-1H-cyclopenta[α]phenanthren-17-yl)ethan-1-one, C28H41NO
Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 579-581
8107515 CIFC14 H10 Cl N3 O3P 14.8813; 6.7806; 10.3135
98.101; 94.174; 97.612		333.515Al-Wahaibi, Lamya H.; Blacque, Olivier; Tiekink, Edward R. T.; El-Emam, Ali A.
Crystal structure of 4-chloro-N′-[(1E)-(2-nitrophenyl)methylidene]benzohydrazide, C14H10ClN3O3
Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 631-633
8107561 CIFC36 H26 Br2 N4 O2P 18.7; 9.188; 9.722
91.61; 91.436; 100.925		762.4Yuan, Lin; Deng, Shao-Wen; Liu, Fang; Li, Zhong-Yan
The crystal structure of (E)-N ′-(2-bromobenzylidene)-2-naphthohydrazide, C36H26Br2N4O2
Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 783-785
8107653 CIFC34 H37 N O6P 16.398; 10.779; 12.03
71.103; 89.519; 74.154		752.2Zhang, Nuo; Guo, Shuo-Nan; Du, Liang-Qi; Ren, Xiao-Yu
Crystal structure of (2S,3S,4S,5S, Z)-2,3,5,6-tetrakis(benzyloxy)-4-hydroxyhexanal oxime, C34H37NO6
Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1035-1037
8107707 CIFC50 H74 N2 O4P 17.332; 11.8132; 13.1604
99.191; 95.039; 95.856		1113.06Wei, Peng; Zhao, Jin-Feng; Zou, Juan; Ye, Jiang-Hai; He, Kang; Xu, Hong
Synthesis and crystal structure of (3E,5S,10S,13S,14S,17Z)-17-ethylidene-10,13-dimethylhexadecahydro-3H-cyclopenta[α]phenanthren-3-one O-(methacryloyl) oxime, C50H74N2O4
Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 1219-1222
9000464 CIFAs4 Cu6 S9P 19.064; 9.83; 9.078
90; 109.5; 107.8		721.242Makovicky, E.; Skinner, B. J.
Studies of the sulfosalts of copper. IV. Structure and twinning of sinnerite, Cu6As4S9
American Mineralogist, 1975, 60, 998-1012
9000566 CIFAs0.195 Bi0.02 Co0.06 Ni1.94 S1.97 Sb1.815P 15.886; 5.886; 5.886
90; 90; 90		203.92Bayliss, P.
Crystal structure refinement of arsenian ullmannite
American Mineralogist, 1977, 62, 369-373
9000595 CIFFe S2P 15.4166; 5.4166; 5.4166
90; 90; 90		158.921Bayliss, P.
Crystal structure refinement of a weakly anisotropic pyrite
American Mineralogist, 1977, 62, 1168-1172
9000789 CIFCa3 H14 O22 Si6P 17.588; 9.793; 7.339
111.77; 103.5; 86.53		492.263Alberti, A.; Galli, E.
The structure of nekoite, Ca3Si6O15*7H2O, a new type of sheet silicate
American Mineralogist, 1980, 65, 1270-1276
9000882 CIFB5 Ca2 Cl H2 O10P 117.495; 6.487; 6.313
60.77; 79.56; 83.96		614.766Wan, C.; Ghose, S.
Parahilgardite, Ca6[B5O9]3Cl3*3H2O: a triclinic piezoelectric zeolite-type pentaborate
American Mineralogist, 1983, 68, 604-613
9001396 CIFCl3 Cs H12 Mg O6P 16.7507; 13.495; 6.75
90.13; 91.15; 90.18		614.801Waizumi, K.; Masuda, H.; Ohtaki, H.; Scripkin, M. Y.; Burkov, K. A.
Crystallographic investigations of [Mg(H2O)6]XCl3 double salts (X = K, Rb, Cs, NH4): Crystal structure of [Mg(H2O)6]CsCl3 Note: modified perovskite structure
American Mineralogist, 1991, 76, 1884-1888
9001991 CIFC20 H34P 111.407; 20.952; 7.406
93.941; 100.75; 80.499		1713.8Bouska, Vladimir; Cisarova, Ivana; Skala, Roman; Dvorak, Zdenek; Zelinka, Jaroslav; Zak, Karel
Hartite from Bilina
American Mineralogist, 1998, 83, 1340-1346
9002779 CIFAl2 Ca0.5 O12 Si4P 15.18; 8.98; 15
90; 90; 90		697.746Viani, A.; Gualtieri, A.; Artioli, G.
The nature of disorder in montmorillonite by simulation of X-ray powder patterns Note: Structural simulation model
American Mineralogist, 2002, 87, 966-975
9003099 CIFAl H2 Li O7 Si2P 18.6121; 4.9579; 7.604
89.892; 114.423; 89.955		295.621Ferro, O.; Quartieri, S.; Vezzalini, G.; Ceriani, C.; Fois, E.; Gamba, A.; Cruciani, G.
Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study Sample: T = 30 C
American Mineralogist, 2004, 89, 94-101
9003100 CIFAl H2 Li O6.715 Si2P 18.614; 4.9721; 7.551
89.753; 114.273; 90.154		294.814Ferro, O.; Quartieri, S.; Vezzalini, G.; Ceriani, C.; Fois, E.; Gamba, A.; Cruciani, G.
Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study Sample: T = 280 C
American Mineralogist, 2004, 89, 94-101
9003101 CIFAl H2 Li O6.385 Si2P 18.6269; 4.9871; 7.5718
89.765; 114.097; 90.16		297.372Ferro, O.; Quartieri, S.; Vezzalini, G.; Ceriani, C.; Fois, E.; Gamba, A.; Cruciani, G.
Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study Sample: T = 400
American Mineralogist, 2004, 89, 94-101
9003102 CIFAl Li O6 Si2P 18.6274; 4.9898; 7.5729
89.737; 114.072; 90.169		297.651Ferro, O.; Quartieri, S.; Vezzalini, G.; Ceriani, C.; Fois, E.; Gamba, A.; Cruciani, G.
Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study Sample: T = 468
American Mineralogist, 2004, 89, 94-101
9004095 CIFC6 H6 Ca0.21 Na2 O21 Sr2.79 ZrP 18.966; 8.98; 6.73
102.72; 116.65; 60.66		422.176Grice, J. D.; Perrault, G.
The crystal structure of triclinic weloganite Note: y-coordinate of Sr2 changed.
The Canadian Mineralogist, 1975, 13, 209-216
9004268 CIFB26 Ca9 Cl4 H35 O71P 112.746; 13.019; 9.693
102.24; 102.1; 85.61		1536.1Grice, J. D.; Burns, P. C.; Hawthorne, F. C.
Determination of the megastructures of the borate polymorphs pringleite and ruitenbergite Note: Cell angles modified by Grice, June 2002
The Canadian Mineralogist, 1994, 32, 1-14
9004467 CIFFe0.47 H24 Mg0.83 O173 Pb8.74 U36P 120.9391; 12.1; 16.345
103.87; 115.37; 90.27		3605.39Burns, P. C.
The structure of richetite, a rare lead uranyl oxide hydrate
The Canadian Mineralogist, 1998, 36, 187-199
9004646 CIFCa1.44 F2 Fe0.1 Mg0.5 Mn0.85 Na13.59 Nb0.44 O34 P4 Si4 Sr0.06 Ti2.55 Zr0.47P 15.4206; 7.0846; 20.3641
86.89; 94.42; 89.94		778.553Sokolova, E. V.; Hawthorne, F. C.
The crystal chemistry of the [M3_11-14] trimeric structures: From hyperagpaitic complexes to saline lakes
The Canadian Mineralogist, 2001, 39, 1275-1294
9004672 CIFCs4 Mo3 O20 U3P 17.51; 7.897; 9.774
79.279; 81.269; 87.251		562.827Krivovichev, S. V.; Burns, P. C.
Crystal chemistry of uranyl molybdates. VI. New uranyl molybdate units in the structures of Cs4[(UO2)3O(MoO4)2(MoO5)] and Cs6[(UO2)(MoO4)4]
The Canadian Mineralogist, 2002, 40, 201-209
9004787 CIFAl0.1 Be0.3 Fe0.48 H10 K0.13 Na2.07 O27.17 Si7.6 Ti3.52P 15.2533; 8.7411; 12.948
70.466; 78.472; 89.932		547.653Khomyakov, A. P.; Kulikova, I. E.; Sokolova, E. V.; Hawthorne, F. C.; Kartashov, P. M.
Paravinogradovite, (Na,_)2[(Ti,Fe)4{Si2O6}2{Si3AlO10}(OH)4]H2O, a new mineral species from the Khibina Alkaline Massif, Kola Penninsula, Russia: Description and crystal structure Locality: Khibina Alkaline Massif, Kola Penninsula, Russia
The Canadian Mineralogist, 2003, 41, 989-1002
9005288 CIFAl3 H3 O10 Si2P 16.0885; 7.2832; 7.7234
115.71; 88.85; 92.89		308.186Daniels, P.; Wunder, B.
Al3Si2O7(OH)3, phase Pi (formerly piezotite): Crystal structure of a synthetic high-pressure silicate rediscovered
European Journal of Mineralogy, 1996, 8, 1283-1292
9005406 CIFAs Cu3 H3 O7P 15.445; 5.873; 5.104
114.95; 93.05; 91.92		147.494Sarp, H.; Cerny, R.
Gilmarite, Cu3(AsO4)(OH)3, a new mineral: its description and crystal structure
European Journal of Mineralogy, 1999, 11, 549-555
9005576 CIFAl H2 Li O7 Si2P 18.607; 4.956; 7.601
89.98; 114.38; 89.98		295.318Comodi, P.; Gatta, G. D.; Zanazzi, P. F.
Effects of pressure on the structure of bikitaite P = 0.0001 GPa
European Journal of Mineralogy, 2003, 15, 247-255
9005577 CIFAl H2 Li O7 Si2P 18.543; 4.852; 7.377
89.65; 114.74; 90.34		277.708Comodi, P.; Gatta, G. D.; Zanazzi, P. F.
Effects of pressure on the structure of bikitaite P = 3.2 GPa
European Journal of Mineralogy, 2003, 15, 247-255
9005578 CIFAl H2 Li O7 Si2P 18.605; 4.957; 7.606
89.93; 114.4; 89.85		295.455Comodi, P.; Gatta, G. D.; Zanazzi, P. F.
Effects of pressure on the structure of bikitaite P = 0.0001 GPa after decompression
European Journal of Mineralogy, 2003, 15, 247-255
9006293 CIFO2 SiP 14.8452; 6.9852; 7.0237
113.811; 77.951; 76.701		199.134Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 10
Physics and Chemistry of Minerals, 1994, 21, 269-284
9006297 CIFO2 SiP 15.8657; 5.1519; 5.3377
92.6936; 90.7338; 90.0688		161.111Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 14
Physics and Chemistry of Minerals, 1994, 21, 269-284
9006298 CIFO2 SiP 15.098; 5.2954; 6.9599
110.92; 107.558; 83.9309		167.327Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 15
Physics and Chemistry of Minerals, 1994, 21, 269-284
9006300 CIFO2 SiP 15.5569; 5.2463; 5.9716
88.5667; 114.226; 94.0951		158.353Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 17
Physics and Chemistry of Minerals, 1994, 21, 269-284
9006303 CIFO2 SiP 15.4515; 5.3227; 5.8091
77.9812; 82.2353; 54.5766		134.326Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 20
Physics and Chemistry of Minerals, 1994, 21, 269-284
9006304 CIFO2 SiP 14.7209; 4.5622; 6.0394
90.9053; 93.3589; 105.959		124.778Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 21
Physics and Chemistry of Minerals, 1994, 21, 269-284
9006307 CIFO2 SiP 14.6409; 5.2953; 6.7956
111.506; 93.9553; 90.7337		154.874Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 24
Physics and Chemistry of Minerals, 1994, 21, 269-284
9007424 CIFH4 Mg3 O9 Si2P 15.434; 5.434; 7.153
90; 90; 120		182.919Auzende, A. L.; Pellenq, R. J. M.; Devouard, B.; Baronnet, A.; Grauby, O.
Atomistic calculations of structural and elastic properties of serpentine minerals: the case of lizardite Note: 1T polytype Note: Hypothetical structure derived using semi-empirical potentials
Physics and Chemistry of Minerals, 2006, 33, 266-275
9007769 CIFH4 K O7 VP 16.501; 7.882; 7.501
107.18; 95.5; 116.2		317.797Lapshin, A. E.; Smolin, Y. I.; Shepelev, Y. F.; Schwendt, P.; Gyepesova, D.
Structure of dipotassium aquadioxotetraperoxodivanadate(V) trihydrate Sample: T = 153 K
Acta Crystallographica, Section C, 1990, 46, 738-741
9007879 CIFC30 Co4 N24 O2P 19.599; 15.344; 8.944
100.47; 113.93; 81.37		1179.77Takazawa, H.; Ohba, S.; Saito, Y.; Ichida, H.; Rasmussen, K.
Structure of (ethylenediamine)(tetramethylenediamine)(trimethylenediamine)- cobalt(III) hexacyanocobaltate(III)monohydrate,-(+)589[Co(en)(tn)(tmd)]- [Co(CN)6].H20
Acta Crystallographica, Section C, 1990, 46, 2354-2357
9008167 CIFAs16.6 Pb11.62 S36P 122.8; 8.357; 7.894
90.05; 97.27; 89.92		1492.03Engel, P.; Nowacki, W.
Die kristallstruktur von baumhauerit
Zeitschrift fur Kristallographie, 1969, 129, 178-202
9009501 CIFCa4.86 F2 H4 K2.87 Na3.14 O32.78 Si12P 110.094; 12.691; 7.24
90; 111.02; 110.2		804.337Rozhdestvenskaya, I. V.; Nikishova, L. V.; Lazebnik, K. A.
The crystal structure of frankamenite
Mineralogical Magazine, 1996, 60, 897-905
9009943 CIFO3 Sn TaP 13.88; 3.88; 3.88
90; 90; 90		58.411Gasperin, M.
Synthese et identification de deux oxydes doubles de tantale et d'etain Sample: synthetic
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1955, 240, 2340-2342
9010147 CIFAl1.71 As0.27 Be3.33 Ca3.78 Fe0.96 Mg7.87 Mn1.35 O40 Sb3 Si5.73P 110.394; 10.777; 8.896
105.953; 96.294; 124.948		738.874Grew, E. S.; Barbier, J.; Britten, J.; Halenius, U.; Shearer, C. K.
The crystal chemistry of welshite, a non-centrosymmetric (P1) aenigmatite- sapphirine-surinamite group mineral
American Mineralogist, 2007, 92, 80-90
9010767 CIFFe2 Na0.41 O10.01 Si4P 15.277; 9.14; 9.6
90; 90; 90		463.025Dainyak, L. G.; Zviagina, B. B.; Rusakov, V. S.; Drits, V. A.
Interpretation of the nontonite-dehydroxylate Mossbauer spectrum using EFG calculations Locality: Garfield, Washington, USA Sample: Model 2
European Journal of Mineralogy, 2006, 18, 753-764
9011296 CIFFe4 H2 K2 Mg2 Na2 O15 Si4 TiP 110.37; 23.129; 5.322
90; 99.55; 90		1258.78Shi, N.; Ma, Z.; Li, G.; Yamnova, M. A.; Pushcharovsky, D. Y.
Structure refinement of monoclinic astrophyllite Locality: Khibina alkaline massif, Russia
Acta Crystallographica, Section B, 1998, 54, 109-114
9011377 CIFB5 Ca2 Cl H2 O10P 16.452; 6.559; 6.286
61.6; 118.72; 105.86		204.867Burns, P. C.; Hawthorne, F. C.
Refinement of the structure of hilgardite-1A Locality: Penobsquis potash deposit, Sussex, New Brunswick
Acta Crystallographica, Section C, 1994, 50, 653-655
9011429 CIFAs19 Pb4 S68 Sb21 Tl8P 116.32; 21.318; 8.543
83.98; 89.06; 83.2		2934.99Nagl, A.
The crystal structure of a thallium sulfosalt, Tl8Pb4Sb21As19S68
Zeitschrift fur Kristallographie, 1979, 150, 85-106
9011498 CIFBe4 Ca3.94 Ce0.12 F3.46 La0.06 Na3.76 Nd0.09 O24.54 Pr0.03 Si8P 17.417; 7.398; 9.986
90; 90; 90		547.941Cannillo, E.; Giuseppetti, G.; Mazzi, F.; Tazzoli, V.
The crystal structure of a rare earth bearing leucophanite: (Ca,RE)CaNa2Be2Si4O12(F,O)2
Zeitschrift fur Kristallographie, 1992, 202, 71-79
9011582 CIFAu2 Te3P 112.11; 13.44; 10.8
104.38; 97.5; 107.93		1578.64Bachechi, F.
Crystal structure of montbrayite Locality: Robb-Montbray, Quebec
Nature Physical Science, 1971, 231, 67-68
9011775 CIFB22 Ca4 Cl H36 K O46P 16.5; 23.96; 6.62
95.68; 119.6; 90.59		889.957Rastsvetaeva, R. K.; Andrianov, V. I.; Genkina, E. A.; Sokolova, T. N.; Kashaev, A. A.
Crystal structure of volkovskite KCa4B22O32(OH)10Cl*4H2O from Nepkii deposit (E. Siberia) Locality: Eastern Siberia
Kristallografiya, 1992, 37, 326-333
9011780 CIFAl24 Ca4 Na28 O119 S8.49 Si24P 19.067; 12.896; 25.708
89.98; 90.08; 90.22		3005.96Evsyunin, V. G.; Sapozhnikov, A. N.; Kashaev, A. A.; Rastsvetaeva, R. K.
Crystal structure of triclinic lazurite Loclaity: Malaya-Bystray deposit, Lake Baikal, Russia
Kristallografiya, 1997, 42, 1014-1021
9011852 CIFBa4 Ca0.16 Fe0.2 Mg0.27 Na2.33 O26 S2 Si4 Ti3P 114.76; 7.14; 5.38
90; 95; 99		557.814Chernov, A. N.; Ilyukhin, V. V.; Maksimov, B. A.; Belov, N. V.
Crystal structure of innelite - Na2Ba3(Ba,K,Mn)(Ca,Na)Ti(TiO2)2[Si2O7]2(SO4)2
Soviet Physics Crystallography, 1971, 16, 65-69
9011860 CIFFe4 S5P 18.34; 8.54; 10.74
87.33; 94.5; 92		761.381Organova, N. I.; Drits, V. A.; Dmitrik, A. L.
Structural study of tochilinite. II. Acicular variety: Unusual diffraction patterns Note: sulfide layer portion of structure only Note: corrections to Fe5 from ICSD
Soviet Physics Crystallography, 1974, 18, 606-609
9011881 CIFCa0.6 Fe0.6 H16 K0.2 Mn0.45 Na4.5 Nb0.8 O44 Si8 Ti6.6 Zr0.25P 18.7; 8.728; 11.688
94.31; 98.62; 105.62		838.839Rastsvetaeva, R. K.; Andrianov, V. I.
New data on the crystal structure of murmanite
Soviet Physics Crystallography, 1986, 31, 44-48
9011896 CIFB5 Ca2 Cl H2 O10P 16.463; 6.564; 6.302
61.63; 118.77; 105.78		205.878Rumanova, I. M.; Iorysh, Z. I.; Belov, N. V.
Crystal structure of triclinic chilgardite Ca2[B5O9]Cl*H2O = Ca2[B3±B2deltaO9]Cl*H2O
Soviet Physics Doklady, 1977, 22, 460-462
9011905 CIFAl F5 H2 O10 Si2 Y4P 18.606; 8.672; 4.317
102.79; 97.94; 116.66		270.162Sokolova, E. V.; Egorov-Tismenko Y K; Voloshin, A. V.; Pakhomovsky, Y. A.
Crystal structure of the new Y-Al silicate kuliokite-(Y), Y4Al[SiO4]2(OH)2F5
Soviet Physics Doklady, 1986, 31, 601-603
9011918 CIFH12 Mn Na2 O22 Si4 Ti3P 15.5; 7; 11.94
96; 100.433; 88.916		449.614Khalilov, A. D.; Mamedov, K. S.; Makarov, E. S.; Pyanzina, L. A.
Crystal structure of murmanite
Doklady Akademii Nauk SSSR, 1965, 161, 1409-1411
9012519 CIFCa H8 O14 P2 V2P 16.3484; 6.35; 6.597
106.81; 94.09; 90.02		253.867Kang, H. Y.; Lee, W. C.; Wang, S. L.
Hydrothermal synthesis and structural characterization of four layered vanadyl(IV) phosphate hydrates A(VO)2(PO4)2*4H2O (A=Co,Ca,Sr,Pb)
Inorganic Chemistry, 1992, 31, 4743-4748
9012667 CIFCa8 Cl2 Mg O16 Si4P 115.1; 15.11; 15.092
90.06; 90.01; 89.93		3443.4Rastsvetaeva, R. K.; Zadov, A. E.; Chukanov, N. V.
Crystal structure of low-symmetry rondorfite
Crystallography Reports, 2008, 53, 199-205
9012684 CIFAs1.22 H12.72 N1.15 Na0.09 O18 P0.78 U2P 17.173; 7.167; 9.3
90.13; 90.09; 89.96		478.101Rastsvetaeva, R. K.; Sidorenko, G. A.; Ivanova, A. G.; Chukanov, N. V.
Structural model of uramarsite
Crystallography Reports, 2008, 53, 771-774
9012772 CIFCa H8 O14 P2 V2P 16.354; 6.329; 6.598
106.72; 94.1; 90.06		253.402Franke, W. A.; Luger, P.; Weber, M.; Ivanova, T. I.
Low hydrothermal growth of sincosite Ca(VO/PO4)2*4H2O
Zapiski Vserossijskogo Mineralogicheskogo Obshchestva, 1997, 85-86
9013984 CIFCa3 H6 O10 Si2P 116.33; 5.6389; 11.685
90.08; 126.446; 89.95		865.546Rastsvetaeva, R. K.; Chukanov, N. V.; Zadov, A. E.
Refined structure of afwillite from the northern Baikal region
Crystallography Reports, 2009, 54, 418-422
9014910 CIFCu2 O7 V2P 17.687; 5.54982; 10.09
104; 110.45; 46.17		290.958Yashima, M.; Suzuki, R. O.
Electronic structure and magnetic properties of monoclinic beta-Cu2V2O7: A GGA+U study Note: this is a modification of the monoclinic structure from the Calvo & Faggiani (1975) paper, in the triclinic setting
Physical Review B, 2009, 79, 125201-125206
9015059 CIFFe O2P 110.821; 6.002; 10.514
90; 92.6; 90		682.157Fernandez-Martinez A; Timon, V.; Roman-Ross G; Cuello, G. J.; Daniels, J. E.; Ayora, C.
The structure of schwertmannite, a nanocrystalline iron oxyhydroxysulfate Note: Model 1, positions of sulfate groups not determined
American Mineralogist, 2010, 95, 1312-1322
9015143 CIFAl0.2 Ba1.6 Ca0.4 F Fe1.4 K0.1 Mg0.9 Mn0.5 Na1.1 Nb0.2 O17 Si4 Sr0.3 Ti1.3P 15.4027; 7.0656; 10.2178
99.816; 99.624; 90.085		378.747Rastsvetaeva, R. K.; Aksenov, S.; Chukanov, N.
Crystal structure of schüllerite, a new mineral of the heterophyllosilicate family
Doklady Chemistry, 2011, 437, 90-94
9015185 CIFFe8 O17P 110.821; 6.002; 10.514
90; 92.6; 90		682.157Fernandez-Martinez A; Timon, V.; Roman-Ross G; Cuello, G. J.; Daniels, J. E.; Ayora, C.
The structure of schwertmannite, a nanocrystalline iron oxyhydroxysulfate Note: Model 2, positions of sulfate groups not determined
American Mineralogist, 2010, 95, 1312-1322
9015343 CIFCa2 Fe2 H O15 Si5P 112.18; 6.68; 7.5
93.98; 112.32; 86.05		562.539Kosoi, A. L.
Structure of babingtonite
Kristallografiya, 1975, 20, 730-739
9015435 CIFC2 H2 Ba0.03 Ca0.15 Ce0.2 Dy0.03 Er0.01 Gd0.02 La0.1 Na0.4 Nd0.05 O7 Pr0.01 Sr0.73 Y0.26 Yb0.01P 18.983; 8.985; 6.78
116.25; 102.76; 60		425.041Tjy, C. T. L.; Pobedimskaya, E. A.; Nadezhina, T. N.; Khomyakov, A. P.
Polymorphism of donnayite (Na,TR)Sr(CO3)2*H2O
Moscow University Geology Bulletin, 1992, 47, 60-70
9015870 CIFCu2 O7 V2P 17.8468; 5.6213; 10.18
103.61; 109.71; 45.74		302.746Yashima, M.; Suzuki, R. O.
Electronic structure and magnetic properties of monoclinic beta-Cu2V2O7: A GGA+U study Note: theoretical study, in a triclinic setting
Physical Review B, 2009, 79, 125201-125206
9015974 CIFMg39 O120 Si28P 135.02; 9.23; 7.89
112.94; 90; 90		2348.62Dodony, I.; Posfai, M.; Buseck, P. R.
Revised structure models for antigorite: An HRTEM study Note: n = 14
American Mineralogist, 2002, 87, 1443-1457
9016123 CIFAs2 H10 Mn3 O14P 15.5828; 9.766; 5.5455
94.467; 111.348; 93.85		279.26Callegari, A. M.; Boiocchi, M.; Ciriotti, M. E.; Balestra, C.
Coralloite, Mn2+Mn3+2(AsO4)2(OH)2*4H2O, a new mixed valence Mn hydrate arsenate: crystal structure and relationships with bermanite and whitmoreite mineral groups
American Mineralogist, 2012, 97, 727-734
9016230 CIFH4 Na2 O11 Si2 Ti2P 15.383; 7.053; 12.17
93.16; 107.82; 90.06		439.135Khalilov, A. D.
Refinement of the crystal structure of murmanite and new data on its crystal-chemical characteristics
Mineralogiceskij Zhurnal, 1989, 11, 19-27
9016233 CIFMg48 O147 Si34P 143.5; 9.23; 7.27
90; 92; 84.75		2904.91Dodony, I.; Posfai, M.; Buseck, P. R.
Revised structure models for antigorite: An HRTEM study Note: n = 17
American Mineralogist, 2002, 87, 1443-1457
9016345 CIFAl5.68 B3 Cr0.315 Fe0.635 H3 Mg2.001 Na0.96 Ni0.158 O31 Si6 Ti0.039 V0.031P 115.903; 15.9118; 7.2304
90.063; 89.793; 119.742		1588.59Hughes, J. M.; Rakovan, J.; Ertl, A.; Rossman, G. R.; Baksheev, I.; Bernhardt, H.-J.
Dissymmetrization in tourmaline: the atomic arrangement of sectorally zoned triclinic Ni-bearing dravite
The Canadian Mineralogist, 2011, 49, 29-40
9016769 CIFC20 H34P 111.407; 20.952; 7.406
93.941; 100.75; 80.499		1713.8Bouska, V.; Cisarova, I.; Skala, R.; Dvorak, A.; Zelinka, J.; Zak, K.
Hartite from Bilina
American Mineralogist, 1998, 83, 1340-1346
9016779 CIFAl H2 Li O7 Si2P 18.6061; 4.9573; 7.597
89.94; 114.407; 89.98		295.146Ferro, O.; Quartieri, S.; Vezzalini, G.; Fois, E.; Gamba, A.; Tabacchi, G.
High-pressure behaviour of bikitaite: An integrated theoretical and experimental approach Sample at P = 0 GPa
American Mineralogist, 2002, 87, 1415-1425
9016797 CIFAl2.936 Ca0.06 Fe0.438 H17.6 Mg5.68 Na0.04 O30.8 Si5.664 Ti0.042P 15.3434; 9.254; 14.34
90.0002; 97.0909; 90.0002		703.658Arguelles, A.; Leoni, M.; Blanco, J. A.; Marcos, C.
Semi-ordered crystalline structure of the Santa Olalla vermiculite inferred from X-ray powder diffraction
American Mineralogist, 2010, 95, 126-134
9016992 CIFMg2 O4 SiP 14.695; 9.201; 5.311
93.1; 107.264; 98.133		215.766Finkelstein, G. J.; Dera, P. K.; Jahn, S.; Oganov, A. R.; Holl, C. M.; Meng, Y.; Duffy, T. S.
Phase transitions and equation of state of forsterite to 90 GPa from single-crystal X-ray diffraction and molecular modeling Note: P = 52.4 GPa
American Mineralogist, 2014, 99, 35-43
9017162 CIFB22 Ca4 Cl H18 K O46P 16.535; 24.185; 6.589
92.626; 119.132; 97.298		895.288Poulin, R. S.; Grice, J. D.
Volkovskite, a complex borate mineral: refined crystallographic data and optics
The Canadian Mineralogist, 2013, 51, 157-169
9017172 CIFC2 H2 Li2 Na6 O34 P6 Y3 Zr3P 110.9977; 10.9985; 10.9966
90.074; 89.984; 89.969		1330.13McDonald, A. M.; Back, M. E.; Gault, R. A.; Horvath, L.
Peatite-(Y) and ramikite-(Y), two new Na-Li-Y±Zr phosphate-carbonate minerals from the Poudrette pegmatite, Mont Saint-Hilaire, Quebec
The Canadian Mineralogist, 2013, 51, 569-596
9017187 CIFAs4 Cu6 S9P 19.103; 9.86; 9.111
90.27; 109.53; 107.58		729.618Bindi, L.; Makovicky, E.; Nestola, F.; Battisti, L. D.
Sinnerite, Cu6As4S9, from the Lengenbach Quarry, Binn Valley, Switzerland: Description and re-investigation of the crystal structure
The Canadian Mineralogist, 2013, 51, 851-860
9017425 CIFH12 O13 S Zn4P 18.312; 14.545; 18.504
89.71; 90.05; 90.13		2237.06Rastsvetaeva, R. K.; Aksenov, S. M.; Chukanov, N. V.; Verin, I. A.
Crystal structure of a new mineral lahnsteinite Zn4(SO4)(OH)6*3H2O
Crystallography Reports, 2012, 57, 737-741
9017552 CIFAs24 Pb4.01 S68 Sb15.99 Tl8P 116.218; 42.546; 8.58
95.7; 90.18; 96.38		5853.94Bindi, L.; Nestola, F.; Guastoni, A.; Secco, L.
The crystal structure of dalnegroite, Tl5-xPb2x(As,Sb)21-xS34: a masterpiece of structural complexity
Mineralogical Magazine, 2013, 74, 999-1012
9017679 CIFAl Cu2 H9.32 O10 S0.33 Sb0.33P 16.331; 2.913; 10.727
93.77; 96.34; 79.03		192.824Mills, S. J.; Christy, A. G.; Schnyder, C.; Favreau, G.; Price, J. R.
The crystal structure of camerolaite and structural variation in the cyanotrichite family of merotypes
Mineralogical Magazine, 2014, 78, 1527-1552

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