Crystallography Open Database

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7712263 CIFC20 H30 Cu3 I3 N2 S2P 1 2/n 19.6879; 10.7084; 13.946
90; 102.975; 90		1409.85Artem'ev, Alexander; Doronina, Evgeniya Pavlovna; Rakhmanova, Marianna I.; Hei, Xiuze; Stass, Dmitri V.; Tarasova, Olga; Bagryanskaya, Irina Yu.; Samsonenko, Denis G.; Novikov, Alexander S.; Nedolya, Nina; Li, Jing
A family of CuI-based 1D polymers showing colorful short-lived TADF and phosphorescence induced by photo- and X-ray irradiation
Dalton Transactions, 2023
7712829 CIFC103 H75 Cl23 Ir2 N8P 1 2/n 117.1401; 11.0817; 26.8175
90; 94.554; 90		5077.7Tatarin, Sergei V.; Smirnov, Daniil E.; Taydakov, Ilya V.; Metlin, Mikhail T.; Emets, Victor; Bezzubov, Stanislav
Tailoring the π-system of benzimidazole ligands towards stable light-harvesting cyclometalated iridium(III) complexes
Dalton Transactions, 2023
7713440 CIFC20 H28 Cl2 N4 O10 ZnP 1 2/n 110.7236; 7.8448; 15.7025
90; 96.744; 90		1311.82Pandit, Nithun Ranjan; Bej, Sourav; Das, Riyanka; Ghosal, Nirajan; Mondal, Ananya; Pal, Ranjana; Ghosh, Meenakshi; Banerjee, Priyabrata; Biswas, Biplab
Anion directed structural tuning of azomethine derived two Zn2±complexes with optoelectronic recognition of Cu2+ from aqueous medium with Anti-cancer activities: Expedition from micromolar to femtomolar sensitivity with DFT revelation
Dalton Transactions, 2023
7714363 CIFC98.5 H128 F18 Fe4 N16 O30.5 S6P 1 2/n 125.1428; 11.3184; 42.5686
90; 99.77; 90		11938.3Bracken, Abigail J.; Dong, Hai Thanh; Lengel, Michael O.; Lehnert, Nicolai
Exploring Second Coordination Sphere Effects in Flavodiiron Nitric Oxide Reductase Model Complexes
Dalton Transactions, 2023
7714603 CIFMg3 Na6 P4 S16P 1 2/n 18.6754; 8.318; 18.2658
90; 95.722; 90		1311.53Huang, Yi; Chu, Dongdong; Hou, Xueling; Li, Guangmao; Zhang, Yong
Na<sub>6</sub>Mg<sub>3</sub>P<sub>4</sub>S<sub>16</sub> and RbMg<sub>2</sub>PS<sub>4</sub>Cl<sub>2</sub>: two Mg-based thiophosphates with ultrawide bandgaps resulting from [MgS<sub>6</sub>] and [MgS<sub><i>x</i></sub>Cl<sub>6-<i>x</i></sub>] octahedra.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 866-871
7715116 CIFC18 H36 Li2 N12 Nb Ni O6P 1 2/n 110.259; 9.6405; 15.8896
90; 105.385; 90		1515.2Heczko, Michał; Nowicka, Beata
Switching of magnetic properties by topotactic reaction in a 1D CN-bridged Ni(II)-Nb(IV) system.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 5788-5795
7715631 CIFC40 H50 N2 O2 PtP 1 2/n 112.7659; 16.6732; 42.0401
90; 96.231; 90		8895.31Ikeshita, Masahiro; Ma, Shing Cho; Muller, Gilles; Naota, Takeshi
Linker-dependent control of the chiroptical properties of polymethylene-vaulted trans-bis[(β-iminomethyl)naphthoxy]platinum(II) complexes
Dalton Transactions, 2024
7716032 CIFC295 H389 Cl12 Mn6 N27 O54 Si12P 1 2/n 125.37; 34.527; 43.51
90; 95.26; 90		37952An, Seonghyeon; Han, Jihun; Kim, Dongwon; Lee, Haeri; Jung, Ok-Sang
Coordinating nature of M6L12 double-stranded macrocycles: co-ligand competition of perchlorate, water, and acetonitrile depending on metal(II) ions
Dalton Transactions, 2024
7716036 CIFC281 H373 Cl12 N27 O54 Si12 Zn6P 1 2/n 125.489; 34.525; 43.539
90; 95.58; 90		38133An, Seonghyeon; Han, Jihun; Kim, Dongwon; Lee, Haeri; Jung, Ok-Sang
Coordinating nature of M6L12 double-stranded macrocycles: co-ligand competition of perchlorate, water, and acetonitrile depending on metal(II) ions
Dalton Transactions, 2024
8000192 CIFC30 H32 Cu N2 O6P 1 2/n 114.5; 11.36; 18.43
90; 107.93; 90		2888Shibuya, Yuhki; Nabari, Keiko; Kondo, Mitsuru; Yasue, Sachie; Maeda, Kenji; Uchida, Fumio; Kawaguchi, Hiroyuki
The Copper(II) Complex with Two Didentate Schiff Base Ligands. The Unique Rearrangment that Proceeds under Alcohol Vapor in the Solid State to Construct Noninclusion Structure
Chemistry Letters, 2008, 37, 78
8100043 CIFC62 H50 Cu2 N14 O9P 1 2/n 115.7454; 7.9119; 22.3267
90; 96.15; 90		2765.36Ye, Ming-De; Cheng, Ya-Qian; Li, Xin-Hua; Hu, Mao-Lin
Crystal structure of bis[di(1,10-phenanthroline)azidocopper(II)] biphenyl-4,4'- dicarboxylate pentahydrate, [Cu(C~12~H~8~N~2~)~2~N~3~]~2~(C~14~H~8~O~4~) · 5H~2~
Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 165-167
8100362 CIFCs Ga H O10 P3P 1 2/n 18.8429; 4.9523; 11.0844
90; 108.793; 90		459.54Mi, Jin-Xiao; Borrmann, Horst; Huang, Ya-Xi; Zhao, Jing-Tai; Kniep, Rüdiger
Crystal structure of the 1M-modification of caesium gallium(III) monohydrogen triphosphate, 1M-CsGaHP~3~O~10~
Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 169-170
8101596 CIFC56 H40 N4 P2 Se4P 1 2/n 113.849; 9.533; 20.026
90; 101.56; 90		2590.3Czado, Wolfgang; Müller, Ulrich
Crystal structure of bis-tetraphenylphosphonium 1,2,5,6-tetracyano- 3,4-diselena-hexadiene-1,6-diselenolate, [P(C~6~H~5~)~4~]~2~[Se~4~C~4~(CN)~4~]
Zeitschrift für Kristallographie - New Crystal Structures, 1999, 214, 507-508
8102784 CIFC17 H30 Cd2 N4 O15P 1 2/n 111.5769; 9.9113; 12.2931
90; 111.048; 90		1316.4Ya-Zhou Xu; Wei-Ping Tang
Crystal structure of catena-aquabis(pyridine-2,6-dicarboxylato-O,N,O')-(1,2-propylenediamine)dicadmium(II) hexahydrate, Cd2(H2O)(C7H3NO4)2(C3H10N2) · 6H2O
Zeitschrift für Kristallographie - New Crystal Structures, 2010, 225, 597
8103373 CIFC22 H14 Cd0.5 Cl N4 Ni O2P 1 2/n 112.66; 10.09; 14.706
90; 95.532; 90		1869.8Dan Wang; Xiaojian Kong; Xiaozeng Li
Crystal structure of (dichloro-2k2Cl)bis[tribenzo-[d,h,l][3,7,10,14]-tetraaza[14]annulene- 1,2-diolato-1k4N,N',N'',N''':2k2O,O')cadmium(II)dinickel(II), CdCl2[Ni(C22H14N4O2)]2
Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 191
8104655 CIFC12 H16 I2 N4 O5P 1 2/n 19.83; 5.3338; 17.404
90; 105.493; 90		879.36Huang, Guang
The crystal structure of 2-amino-3-carboxypyridin-1-ium iodide hemihydrate, C6H8IN2O2.5
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1021-1022
8104711 CIFC31 H46 N10 O8P 1 2/n 18.8207; 9.7818; 20.9498
90; 97.259; 90		1793.1Xiong, Ying; An, Ya
Crystal structure of N′,N‴-((propane-2,2-diylbis(1H-pyrrole-5,2-diyl))bis(methaneylylidene))-di(isonicotinohydrazide)– water – dimethylformamide (1/4/2), C25H24N8O2·4H2O·2C3H7NO
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 785-787
8105065 CIFC21 H25 N9 O4P 1 2/n 110.277; 10.081; 11.264
90; 104.582; 90		1129.4Xiangqing, Fang; Ren, Wang; Kai, Du; Jia, Gu; Liguo, Yang
Crystal structure of N′2,N′6-bis((E)-1-(pyrazin-2-yl)ethylidene)pyridine-2,6-dicarbohydrazide — methanol (1/2), C21H25N9O4
Zeitschrift für Kristallographie - New Crystal Structures, 2019, 235, 223-224
8105096 CIFC12 H24 Cd N2 O4 P2 S4P 1 2/n 111.7844; 7.6063; 13.1965
90; 111.594; 90		1099.86Tan, Yee Seng; Tiekink, Edward R.T.
Crystal structure of catena-[(μ2-pyrazine-κ2 N:N′)-bis(O,O′-di-ethyldithiophosphato-κ2 S,S′)cadmium(II)], {C12H24CdN2O4P2S4}n
Zeitschrift für Kristallographie - New Crystal Structures, 2020, 235, 319-321
8105473 CIFC21 H22 Hg N12 O7P 1 2/n 113.655; 8.7038; 23.26
90; 102.51; 90		2698.8Sun, Shu-Xiang; Lu, Zhi-Min; Zhang, Ke-Qing; Yao, Pei
Crystal structure of catena-poly[(μ2-1-((benzotriazol-1-yl)methyl)-1H-1,3-imdazole-κ2 N:N′)-(1-((benzotriazol-1-yl)methyl)-1H-1,3-imdazole-κ1N)-(methanol-κ1 O)mercury(II)] dinitrate, C21H22N12O7Hg
Zeitschrift für Kristallographie - New Crystal Structures, 2020, 235, 1385-1387
8107218 CIFC28 H32 Fe2 N4 O13P 1 2/n 18.0964; 13.4889; 14.0543
90; 95.19; 90		1528.6Cui, Hong-Meng
Crystal structure of di-μ2-hydroxido-tetrakis(6-methylpyridine-2-carboxylato-k2 N,O) diiron(III) trihydrate C28H32Fe2N4O13
Zeitschrift für Kristallographie - New Crystal Structures, 2022, 237, 793-795
8107429 CIFC14 H29 Cu3 N12 Na O8 S6P 1 2/n 115.357; 5.441; 19.885
90; 106.386; 90		1594.1Shin, Jiehye; Do, Junghwan
Crystal structure of sodium catena-poly[bis(thiourea-κ1 S)-tetrakis(μ 2-thiourea-κ2 S,S)tricopper(I)] difumarate, C14H29Cu3N12NaO8S6
Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 323-325
9000455 CIFAl0.868 Ca1.03 Fe0.317 Mg0.815 Na0.97 O12 Si4P 1 2/n 19.585; 8.776; 5.26
90; 106.8; 90		423.576Matsumoto, T.; Tokonami, M.; Morimoto, N.
The crystal structure of omphacite
American Mineralogist, 1975, 60, 634-641
9000888 CIFAl8.48 Be1.89 Fe1.518 Mg3.884 O32 Si6.11P 1 2/n 19.916; 11.384; 9.631
90; 109.3; 90		1026.08Moore, P. B.; Araki, T.
Surinamite, ca. Mg3Al4Si3BeO16: its crystal structure and relation to sapphirine, ca. Mg2.8Al7.2Si1.2O16
American Mineralogist, 1983, 68, 804-810
9001677 CIFAs3.89 S6.5 Sb0.11 TlP 1 2/n 19.584; 5.679; 21.501
90; 100.07; 90		1152.22Foit, F. F.; Robinson, P. D.; Wilson, J. R.
The crystal structure of gillulyite, Tl2(As,Sb)8S13, from the Mercur gold deposit, Tooele County, Utah, U.S.A
American Mineralogist, 1995, 80, 394-399
9002676 CIFAl3.605 Be Fe1.125 Mg2.27 O16 Si3P 1 2/n 19.915; 11.368; 9.617
90; 109.3; 90		1023.05Barbier, J.; Grew, E. S.; Halenius, E.; Halenius, U.; Yates, M. G.
The role of iron and cation order in the crystal chemistry of surinamite, (Mg,Fe)3(Al,Fe)3O[AlBeSi3O15]: A crystal structure, Mossbauer spectroscopic, and optical spectroscopic study
American Mineralogist, 2002, 87, 501-513
9004084 CIFAl0.525 Ca0.492 Fe0.475 Na0.508 O6 Si2P 1 2/n 19.622; 8.826; 5.279
90; 106.92; 90		428.906Curtis, L.; Gittins, J.; Kocman, V.; Rucklidge, J. C.; Hawthorne, F. C.; Ferguson, R. B.
Two crystal structure refinements of a P2/n titanian ferro-omphacite Sample: Tronto
The Canadian Mineralogist, 1975, 13, 62-67
9004085 CIFAl0.481 Ca0.466 Fe0.518 Na0.534 O6 Si2P 1 2/n 19.622; 8.826; 5.279
90; 106.92; 90		428.906Curtis, L.; Gittins, J.; Kocman, V.; Rucklidge, J. C.; Hawthorne, F. C.; Ferguson, R. B.
Two crystal structure refinements of a P2/n titanian ferro-omphacite Sample: Winnipeg
The Canadian Mineralogist, 1975, 13, 62-67
9007776 CIFCl3 O6 YP 1 2/n 17.8346; 6.4729; 9.5817
90; 93.768; 90		484.862Bell, A. M. T.; Smith, A. J.
Structure of hexaaquadichloroyttrium(III) chloride
Acta Crystallographica, Section C, 1990, 46, 960-962
9007938 CIFAl Ba Ca F7P 1 2/n 15.3664; 5.3846; 18.8262
90; 92.319; 90		543.555Werner, F.; Weil, M.
alpha-BaCaAlF7
Acta Crystallographica, Section E, 2003, 59, i17-i19
9008141 CIFO3 Pb SiP 1 2/n 111.23; 7.08; 12.26
90; 113.25; 90		895.613Boucher, M. L.; Peacor, D. R.
The crystal structure of alamosite, PbSiO3
Zeitschrift fur Kristallographie, 1968, 126, 98-111
9009602 CIFAl0.905 Ca0.952 Fe0.159 Mg0.936 Na1.048 O12 Si4P 1 2/n 19.578; 8.772; 5.253
90; 106.89; 90		422.31Mottana, A.; Rossi, G.; Kracher, A.; Kurat, G.
Violan revisited: Mn-bearing omphacite and diopside
Tschermaks Mineralogische und Petrographische Mitteilungen, 1979, 26, 187-201
9009801 CIFS8P 1 2/n 18.163; 13.04; 8.386
90; 112.78; 90		823.024Krauter, T.; Neumuller, B.
Reaktionen von diorganogallium(indium)fluoriden. Die kristallstrukture von Mes2InF Note: known as gamma sulfur
Zeitschrift fur Anorganische und Allgemeine Chemie, 1995, 621, 597-606
9010807 CIFAs3 Fe H7 K O13P 1 2/n 14.7; 8.712; 13.828
90; 94.86; 90		564.171Schwendtner, K.; Kolitsch, U.
Two new structure types: KFe3(AsO4)2(HAsO4)2 and K(H2O)M3+(H1.5AsO4)2(H2AsO4) (M3+ = Fe, Ga, In) - synthesis, crystal structure and spectroscopy
European Journal of Mineralogy, 2007, 19, 399-409
9010808 CIFAs3 Ga H7 K O13P 1 2/n 14.641; 8.696; 13.772
90; 94.71; 90		553.935Schwendtner, K.; Kolitsch, U.
Two new structure types: KFe3(AsO4)2(HAsO4)2 and K(H2O)M3+(H1.5AsO4)2(H2AsO4) (M3+ = Fe, Ga, In) - synthesis, crystal structure and spectroscopy
European Journal of Mineralogy, 2007, 19, 399-409
9010809 CIFAs3 H7 In K O13P 1 2/n 14.798; 8.832; 13.971
90; 94.68; 90		590.06Schwendtner, K.; Kolitsch, U.
Two new structure types: KFe3(AsO4)2(HAsO4)2 and K(H2O)M3+(H1.5AsO4)2(H2AsO4) (M3+ = Fe, Ga, In) - synthesis, crystal structure and spectroscopy
European Journal of Mineralogy, 2007, 19, 399-409
9011579 CIFMg Na2 O12 Si5P 1 2/n 19.418; 8.647; 5.274
90; 108.13; 90		408.178Angel, R. J.; Gasparik, T.; Ross, N. L.; Finger, L. W.; Prewitt, C. T.; Hazen, R. M.
A silica-rich sodium pyroxene phase with six-coordinated silicon
Nature, 1988, 335, 156-158
9011808 CIFAl0.51 Ca0.5 Fe0.06 Mg0.46 Na0.5 O6 Si1.97P 1 2/n 19.569; 8.759; 5.256
90; 106.96; 90		421.372Pavese, A.; Bocchio, R.; Ivaldi, G.
In situ high temperature single crystal X-ray diffraction study of a natural omphacite Locality: Gorduno, Lepontine Alps, Switzerland Note: structure at room temperature (T=298K)
Mineralogical Magazine, 2000, 64, 983-993
9011809 CIFAl0.51 Ca0.5 Fe0.06 Mg0.46 Na0.5 O6 Si1.97P 1 2/n 19.627; 8.846; 5.282
90; 107.06; 90		430.025Pavese, A.; Bocchio, R.; Ivaldi, G.
In situ high temperature single crystal X-ray diffraction study of a natural omphacite Locality: Gorduno, Lepontine Alps, Switzerland Note: structure at high temperature (T=1073K)
Mineralogical Magazine, 2000, 64, 983-993
9011810 CIFAl0.51 Ca0.5 Fe0.06 Mg0.46 Na0.5 O6 Si1.97P 1 2/n 19.563; 8.776; 5.254
90; 106.9; 90		421.899Pavese, A.; Bocchio, R.; Ivaldi, G.
In situ high temperature single crystal X-ray diffraction study of a natural omphacite Locality: Gorduno, Lepontine Alps, Switzerland Note: structure at room temperature (T=298K), after being heated to 1073K
Mineralogical Magazine, 2000, 64, 983-993
9013064 CIFC2 H24 Al Ce0.12 Dy0.04 Eu0.02 Gd0.08 La0.03 Nd0.23 O24 Pr0.03 S2 Sm0.12 Y0.33P 1 2/n 110.289; 9.234; 11.015
90; 108.5; 90		992.44Rouse, R. C.; Peacor, D. R.; Essene, E. J.; Coskren, T. D.; Lauf, R. J.
The new minerals levinsonite-(Y) [(Y,Nd,Ce)Al(SO4)2(C2O4)*12H2O] and zugshunstite-(Ce) [(Ce,Nd,La)Al(SO4)2(C2O4)*12H2O]: coexisting oxalates with different structures and differentiation of LREE and HREE
Geochimica et Cosmochimica Acta, 2001, 65, 1101-1115
9013653 CIFMg0.52 Na0.98 O6 Si2.98P 1 2/n 19.4051; 8.6436; 5.2679
90; 108.142; 90		406.959Yang, H.; Konzett, J.; Frost, D. J.; Downs, R. T.
X-ray diffraction and Raman spectroscopic study of clinopyroxenes with six-coordinated Si in the Na(Mg0.5Si0.5)Si2O6 - NaAlSi2O6 system Note: Sample J1
American Mineralogist, 2009, 94, 942-949
9013654 CIFMg0.494 Na0.968 O12 Si4.487P 1 2/n 19.3957; 8.6262; 5.2588
90; 108.05; 90		405.246Yang, H.; Konzett, J.; Frost, D. J.; Downs, R. T.
X-ray diffraction and Raman spectroscopic study of clinopyroxenes with six-coordinated Si in the Na(Mg0.5Si0.5)Si2O6 - NaAlSi2O6 system Note: Sample J2
American Mineralogist, 2009, 94, 942-949
9017232 CIFBa0.507 Fe0.508 Mn3.492 O8P 1 2/n 110.0001; 5.7465; 9.8076
90; 90.713; 90		563.556Biagioni, C.; Capalbo, C.; Lezzerini, M.; Pasero, M.
Ferrihollandite, BaMn4+6Fe3+2O16, from Apuan Alps, Tuscany, Italy: description and crystal structure
European Journal of Mineralogy, 2014, 26, 171-178
9017579 CIFFe Ge H6 O6P 1 2/n 17.5509; 7.4695; 7.5531
90; 90.005; 90		426.006Kleppe, A. K.; Welch, M. D.; Crichton, W. A.; Jephcoat, A. P.
Phase transitions in hydroxide perovskites: a Raman spectroscopic study of stottite, FeGe(OH)6, to 21 GPa Note: this is the preferred structure
Mineralogical Magazine, 2012, 76, 949-962

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