Crystallography Open Database

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2019573 CIF
HKL
Paper
C44 H24 Fe N12P 1 21/n 19.3618; 30.6516; 12.5952
90; 90.683; 90
3614Potočňák, Ivan; Váhovská, Lucia; Herich, Peter
Low-dimensional compounds containing cyanide groups. XXV. Synthesis, spectroscopic properties and crystal structures of two ionic iron(II) complexes with tricyanomethanide: tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(tricyanomethanide) and tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(tricyanomethanide) sesquihydrate
Acta Crystallographica Section C, 2014, 70, 432-436
2019574 CIF
HKL
Paper
C38 H27 Fe N12 O1.5R 3 2 :H15.4137; 15.4137; 27.2718
90; 90; 120
5611.2Potočňák, Ivan; Váhovská, Lucia; Herich, Peter
Low-dimensional compounds containing cyanide groups. XXV. Synthesis, spectroscopic properties and crystal structures of two ionic iron(II) complexes with tricyanomethanide: tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(tricyanomethanide) and tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(tricyanomethanide) sesquihydrate
Acta Crystallographica Section C, 2014, 70, 432-436
2019575 CIF
HKL
Paper
C58 H60 B2 N12 Na2 O4 S6P 1 21/n 112.6969; 19.4915; 13.2609
90; 113.777; 90
3003.3Rajesekharan-Nair, Rajeev; Lutta, Samuel T.; Kennedy, Alan R.; Reglinski, John; Spicer, Mark D.
Soft scorpionate coordination at alkali metals
Acta Crystallographica Section C, 2014, 70, 421-427
2019576 CIF
HKL
Paper
C41.3333 H75.3333 B2 N12 Na2 O4.42 S6C 1 2/c 153.903; 14.4391; 22.9832
90; 96.256; 90
17781.5Rajesekharan-Nair, Rajeev; Lutta, Samuel T.; Kennedy, Alan R.; Reglinski, John; Spicer, Mark D.
Soft scorpionate coordination at alkali metals
Acta Crystallographica Section C, 2014, 70, 421-427
2019577 CIF
HKL
Paper
C12 H16 B N6 Na S3P -17.9707; 10.0754; 11.4672
79.923; 82.774; 71.167
855.78Rajesekharan-Nair, Rajeev; Lutta, Samuel T.; Kennedy, Alan R.; Reglinski, John; Spicer, Mark D.
Soft scorpionate coordination at alkali metals
Acta Crystallographica Section C, 2014, 70, 421-427
2019578 CIF
HKL
C38 H34 Co N2 O14P 1 2/n 112.3557; 11.3518; 13.6847
90; 107.283; 90
1832.7Tang, Long; Fu, Feng; Wang, Ji-Jiang; Liu, Qi-Rui; Zhao, Hang-Hang
A one-dimensional cobalt(II) coordination polymer based on 2,4'-oxydibenzoic acid: poly[[[diaquabis[2-(4-carboxyphenoxy)benzoato-κ<i>O</i>^1^]cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]
Acta Crystallographica Section C, 2014, 70, 654-658
2019579 CIF
HKL
Paper
C18 H16 Br2 Cl2 Cu N2 O4P 1 21/n 113.1298; 4.6502; 16.957
90; 90.977; 90
1035.18Zabierowski, Piotr; Szklarzewicz, Janusz; Nitek, Wojciech
Disentangling steric and electronic factors in monomeric bis(2-bromo-4-chloro-6-{[(2-hydroxyethyl)imino]methyl}phenolato-κ^2^<i>N</i>,<i>O</i>)copper(II)
Acta Crystallographica Section C, 2014, 70, 659-661
2019580 CIF
HKL
Paper
C14 H31 F6 N4 Ni O2 PC 1 c 110.5588; 11.7643; 17.2263
90; 99.929; 90
2107.7Wallick, Jessica L.; Riordan, Charles G.; Yap, Glenn P. A.
Acetate and acetamide complexes of [Ni(Me~4~[12]aneN~4~)]PF~6~: a tale of two ligands
Acta Crystallographica Section C, 2014, 70, 640-643
2019581 CIF
HKL
Paper
C14 H32 F6 N5 Ni O PP -18.0392; 8.6289; 15.8882
78.883; 89.641; 77.826
1056.5Wallick, Jessica L.; Riordan, Charles G.; Yap, Glenn P. A.
Acetate and acetamide complexes of [Ni(Me~4~[12]aneN~4~)]PF~6~: a tale of two ligands
Acta Crystallographica Section C, 2014, 70, 640-643
2019582 CIF
HKL
Paper
C16 H16 N2 O6 PbC 1 2/c 120.508; 10.899; 8.2818
90; 109.9; 90
1740.6Liu, Lei-Lei; Yu, Cai-Xia; Hua, Lei; Lin, Lu
A three-dimensional Pb^II^ coordination framework: poly[[μ~4~-(<i>E</i>)-2,2'-(diazene-1,2-diyl)dibenzoato]dimethanollead(II)]
Acta Crystallographica Section C, 2014, 70, 650-653
2019583 CIF
HKL
Paper
C28 H52 Cl4 Fe2 N4 OP 1 21/n 110.1176; 20.6058; 16.058
90; 95.234; 90
3333.8Journot, Guillaume; Neier, Reinhard; Stoeckli-Evans, Helen
Phase-transformation-induced twinning of an iron(III) calix[4]pyrrolidine complex
Acta Crystallographica Section C, 2014, 70, 644-649
2019584 CIF
HKL
Paper
C28 H52 Cl4 Fe2 N4 OP -110.1319; 20.4267; 15.9591
88.488; 96.881; 92.679
3274.8Journot, Guillaume; Neier, Reinhard; Stoeckli-Evans, Helen
Phase-transformation-induced twinning of an iron(III) calix[4]pyrrolidine complex
Acta Crystallographica Section C, 2014, 70, 644-649
2019585 CIF
HKL
Paper
C44 H52 N8 O16C 1 2/c 117.771; 19.703; 14.21
90; 114.097; 90
4541.9Zhang, Zhi-Hui; Wang, Jin-Long; Gao, Ning; He, Ming-Yang
A 16-connected three-dimensional hydrogen-bonding network in tetrakis(4-aminopyridinium) perylene-3,4,9,10-tetracarboxylate octahydrate
Acta Crystallographica Section C, 2014, 70, 668-671
2019586 CIF
HKL
Paper
C36 H27 B O3P 1 21/c 113.9098; 10.1293; 19.485
90; 100.966; 90
2695.2Budanow, Alexandra; Sinke, Tanja; Lerner, Hans-Wolfram; Bolte, Michael
Packing considerations of 10-oxa-9-boraphenanthrene derivatives
Acta Crystallographica Section C, 2014, 70, 662-667
2019587 CIF
HKL
Paper
C12 H9 B O2P n a 2114.7548; 5.1497; 24.58
90; 90; 90
1867.7Budanow, Alexandra; Sinke, Tanja; Lerner, Hans-Wolfram; Bolte, Michael
Packing considerations of 10-oxa-9-boraphenanthrene derivatives
Acta Crystallographica Section C, 2014, 70, 662-667
2019588 CIF
HKL
Paper
C12 H9 B O2P 1 21/c 125.627; 5.1594; 14.7701
90; 106.459; 90
1872.9Budanow, Alexandra; Sinke, Tanja; Lerner, Hans-Wolfram; Bolte, Michael
Packing considerations of 10-oxa-9-boraphenanthrene derivatives
Acta Crystallographica Section C, 2014, 70, 662-667
2019589 CIF
HKL
Paper
C24 H17 B O2C 1 c 120.7814; 10.374; 32.6452
90; 93.427; 90
7025.3Budanow, Alexandra; Sinke, Tanja; Lerner, Hans-Wolfram; Bolte, Michael
Packing considerations of 10-oxa-9-boraphenanthrene derivatives
Acta Crystallographica Section C, 2014, 70, 662-667
2019590 CIF
HKL
Paper
C9 H4 O6 PbP 21 21 214.79; 7.7306; 24.562
90; 90; 90
909.5Cheng, Shao-Min; Wang, Xian-Fei; Yang, Fang; Chen, Hang; Liu, Wen-Long
Poly[(μ~5~-3-carboxybenzene-1,2-dicarboxylato)lead(II)]: a helical lead(II) coordination polymer
Acta Crystallographica Section C, 2014, 70, 693-696
2019591 CIF
HKL
Paper
C6 H7 N3 O2P 21 21 213.7492; 10.2864; 17.238
90; 90; 90
664.8Geiger, David K.; Parsons, Dylan E.
Hydrogen bonding in 4-nitrobenzene-1,2-diamine and two hydrohalide salts
Acta Crystallographica Section C, 2014, 70, 681-688
2019592 CIF
HKL
Paper
C6 H8 Cl N3 O2P 1 21 14.4743; 29.757; 6.1706
90; 97.774; 90
814Geiger, David K.; Parsons, Dylan E.
Hydrogen bonding in 4-nitrobenzene-1,2-diamine and two hydrohalide salts
Acta Crystallographica Section C, 2014, 70, 681-688
2019593 CIF
HKL
Paper
C6 H10 Br N3 O3I b a 214.352; 20.086; 6.4851
90; 90; 90
1869.5Geiger, David K.; Parsons, Dylan E.
Hydrogen bonding in 4-nitrobenzene-1,2-diamine and two hydrohalide salts
Acta Crystallographica Section C, 2014, 70, 681-688
2019594 CIF
HKL
Paper
C26 H20 Cl N O3P 1 21/n 17.9521; 32.17; 8.5382
90; 108.24; 90
2074.5Montoya, Alba; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher
(<i>E</i>)-3-{4-[(7-Chloroquinolin-4-yl)oxy]-3-methoxyphenyl}-1-(4-methylphenyl)prop-2-en-1-one: a ladder-like structure resulting solely from π‒π stacking interactions
Acta Crystallographica Section C, 2014, 70, 677-680
2019595 CIF
HKL
Paper
C4 H8 Cl N O4P 21 21 29.7082; 8.9123; 8.482
90; 90; 90
733.88Benali-Cherif, Rim; Takouachet, Radhwane; Bendeif, El-Eulmi; Benali-Cherif, Nourredine
A comparative study of two polymorphs of <small>L</small>-aspartic acid hydrochloride
Acta Crystallographica Section C, 2014, 70, 689-692
2019596 CIF
HKL
Paper
C4 H8 Cl N O4P 15.5888; 5.6045; 6.1697
114.57; 97.752; 95.72
171.52Benali-Cherif, Rim; Takouachet, Radhwane; Bendeif, El-Eulmi; Benali-Cherif, Nourredine
A comparative study of two polymorphs of <small>L</small>-aspartic acid hydrochloride
Acta Crystallographica Section C, 2014, 70, 689-692
2019597 CIF
HKL
Paper
C44 H34 Cu2 N12 O6P -18.8825; 10.561; 12.2541
71.724; 80.582; 84.974
1076.03Setifi, Zouaoui; Boutebdja, Mehdi; Setifi, Fatima; Merazig, Hocine; Glidewell, Christopher
Coordination polymer chains built from Cu^II^ and adipate ions linked by hydrogen bonds to form a three-dimensional framework structure
Acta Crystallographica Section C, 2014, 70, 702-706
2019598 CIF
HKL
Paper
C19 H24 Cd N2 O5 SC 1 2/c 117.1629; 16.5904; 16.1754
90; 112.75; 90
4247.4Hao, Xiao-Min; Chen, Gang; Gu, Chang-Sheng; Liu, Ji-Wei
A three-dimensional cadmium(II) coordination polymer: poly[[[μ-4,4'-(propane-1,3-diyl)dipyridine-κ^2^<i>N</i>:<i>N</i>](μ-3,3'-thiodipropionato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)cadmium(II)] monohydrate]
Acta Crystallographica Section C, 2014, 70, 712-714
2019599 CIF
HKL
Paper
C43 H28 N4 O3P -16.3512; 10.405; 12.464
95.548; 99.348; 100.2
793.2Zeller, Matthias; Banerjee, Subhadeep; Brückner, Christian
Oxazolochlorins. 14. 8-Oxo-5,10,15,20-tetraphenyl-7-oxaporphyrin <i>N</i>^24^-oxide
Acta Crystallographica Section C, 2014, 70, 707-711
2019600 CIF
HKL
C24 H54 Si2P b c a11.2923; 29.204; 15.8321
90; 90; 90
5221.1Scholz, Stefan; Lerner, Hans-Wolfram; Bats, Jan W.
A low-temperature modification of hexa-<i>tert</i>-butyldisilane and a new polymorph of 1,1,2,2-tetra-<i>tert</i>-butyl-1,2-diphenyldisilane
Acta Crystallographica Section C, 2014, 70, 697-701
2019601 CIF
HKL
C28 H46 Si2P -19.024; 17.566; 18.961
116.476; 95.018; 90.263
2676.9Scholz, Stefan; Lerner, Hans-Wolfram; Bats, Jan W.
A low-temperature modification of hexa-<i>tert</i>-butyldisilane and a new polymorph of 1,1,2,2-tetra-<i>tert</i>-butyl-1,2-diphenyldisilane
Acta Crystallographica Section C, 2014, 70, 697-701
2019602 CIF
HKL
C28 H26 N6 O11 Zn2P -111.1541; 11.671; 12.2073
93.545; 106.904; 106.283
1441.6Cai, Hua; Xiao, Yan-Ling; Guo, Ying; Li, Jian-Gang
Controllable assembly of a three-dimensional metal‒organic supramolecular framework displaying hydrogen-bonding and π‒π stacking interactions
Acta Crystallographica Section C, 2014, 70, 722-725
2019603 CIF
HKL
Paper
C24 H20 Cl2 Mn N6P -18.5761; 8.9118; 16.4088
96.192; 91.571; 112.971
1144.6Lu, Zhengliang; Zhao, Yuanchao; Chen, Baolian; Huang, Ximing; Fan, Chunhua
[2,5-Bis(2,2'-bipyridyl-6-yl)-3,4-diazahexa-2,4-diene]dichloridomanganese(II): from a mononuclear compound to a three-dimensional supramolecular framework through C—H···Cl hydrogen bonds and π‒π stacking interactions
Acta Crystallographica Section C, 2014, 70, 718-721
2019604 CIF
HKL
Paper
H12 O14 S2 UI 1 2/a 17.519; 13.2464; 11.5073
90; 104.388; 90
1110.18Burns, Alexander D.; Patrick, Brian O.; Lam, Anita E.; Dreisinger, David
The effect of coordinated water on the connectivity of uranium(IV) sulfate <i>x</i>-hydrate: [U(SO~4~)~2~(H~2~O)~5~]·H~2~O and [U(SO~4~)~2~(H~2~O)~6~]·2H~2~O, and a comparison with other known structures
Acta Crystallographica Section C, 2014, 70, 726-731
2019605 CIF
HKL
Paper
H16 O16 S2 UP 1 21/n 18.4071; 11.7144; 13.2659
90; 92.51; 90
1305.23Burns, Alexander D.; Patrick, Brian O.; Lam, Anita E.; Dreisinger, David
The effect of coordinated water on the connectivity of uranium(IV) sulfate <i>x</i>-hydrate: [U(SO~4~)~2~(H~2~O)~5~]·H~2~O and [U(SO~4~)~2~(H~2~O)~6~]·2H~2~O, and a comparison with other known structures
Acta Crystallographica Section C, 2014, 70, 726-731
2019606 CIF
HKL
Paper
C6 H2 Mn O4 SC 1 2/c 14.608; 26.4; 6.123
90; 109.044; 90
704.1Wang, Gui-Xia; Shang, Li-Li; Li, Zhao-Hao; Zhao, Bang-Tun
A new two-dimensional manganese(II) coordination polymer based on thiophene-3,4-dicarboxylic acid
Acta Crystallographica Section C, 2014, 70, 715-717
2019607 CIF
HKL
Paper
C6 H13 As N2 O4P c a 2111.4287; 12.068; 7.5427
90; 90; 90
1040.3Smith, Graham; Wermuth, Urs D.
The three-dimensional hydrogen-bonded structures in the ammonium and sodium salt hydrates of 4-aminophenylarsonic acid
Acta Crystallographica Section C, 2014, 70
2019608 CIF
HKL
Paper
C6 H13 As N Na O6P c a 2110.4069; 13.641; 7.7494
90; 90; 90
1100.1Smith, Graham; Wermuth, Urs D.
The three-dimensional hydrogen-bonded structures in the ammonium and sodium salt hydrates of 4-aminophenylarsonic acid
Acta Crystallographica Section C, 2014, 70
2019609 CIF
HKL
F4 ZrP 1 21/c 15.554; 5.639; 7.973
90; 105.98; 90
240.06Laval, Jean-Paul
Crystal chemistry of anion-excess ReO~3~-related phases. III. γ-ZrF~4~, a high-pressure form of zirconium tetrafluoride, and a comparison of <i>MX</i>~4~ structure types
Acta Crystallographica Section C, 2014, 70
2019610 CIF
HKL
Paper
C32 H20 VP 1 21/n 19.4905; 9.4969; 11.4851
90; 100.306; 90
1018.45Kucera, Benjamin E.; Jilek, Robert E.; Brennessel, William W.; Ellis, John E.
Bis(pyrene)metal complexes of vanadium, niobium and titanium: isolable homoleptic pyrene complexes of transition metals
Acta Crystallographica Section C, 2014, 70
2019611 CIF
HKL
Paper
C32 H20 NbP 1 21/c 18.5838; 9.5974; 12.8876
90; 105.554; 90
1022.8Kucera, Benjamin E.; Jilek, Robert E.; Brennessel, William W.; Ellis, John E.
Bis(pyrene)metal complexes of vanadium, niobium and titanium: isolable homoleptic pyrene complexes of transition metals
Acta Crystallographica Section C, 2014, 70
2019612 CIF
HKL
Paper
C44 H44 K O6 TiP 1 21/c 110.3934; 15.682; 11.3559
90; 111.084; 90
1727Kucera, Benjamin E.; Jilek, Robert E.; Brennessel, William W.; Ellis, John E.
Bis(pyrene)metal complexes of vanadium, niobium and titanium: isolable homoleptic pyrene complexes of transition metals
Acta Crystallographica Section C, 2014, 70
2019613 CIF
HKL
Paper
C43 H34 N6 O12 Zn2P -110.6904; 13.9661; 15.2652
69.182; 72.346; 80.313
2025.33Li, Jian-Qiang; Wu, Xiao-Liu; Liu, Shu-Juan; Luo, Ming-Biao
An acylamide metal‒organic framework with an unprecedented four-connecting trinodal topology and amide oxygen coordination
Acta Crystallographica Section C Structural Chemistry, 2014, 70
2019614 CIF
HKL
Paper
C22 H32 Mn3 N2 O14P -18.1153; 9.0404; 10.0759
83.16; 81.994; 77.423
711.43Caballero-Jiménez, Judith; Reyes Ortega, Yasmi; Bernès, Sylvain; Escudero, Roberto
A candidate for a single-chain magnet: [Mn~3~(OAc)~6~(py)~2~(H~2~O)~2~]~<i>n~</i> (OAc is acetate and py is pyridine)
Acta Crystallographica Section C, 2014, 70
2019615 CIF
HKL
Paper
C14 H12 Cl2 N2 O5P 21 21 213.74; 17.42; 22.18
90; 90; 90
1445Harriss, Bethany I.; Wilson, Claire; Radosavljevic Evans, Ivana
Niclosamide methanol solvate and niclosamide hydrate: structure, solvent inclusion mode and implications for properties
Acta Crystallographica Section C, 2014, 70
2019616 CIF
HKL
Paper
C30 H28 N18 O2 S6 ZnP -17.7509; 10.8253; 12.5824
77.543; 81.089; 72.256
977.32He, Xiao-Xiao; Guo, Ya-Mei
Two Zn^II^ coordination complexes assembled by trithiocyanuric acid and two different N-donor auxiliary ligands
Acta Crystallographica Section C, 2014, 70
2019617 CIF
HKL
Paper
C26 H20 N10 S6 ZnC 1 2/c 113.3778; 11.3937; 19.2967
90; 96.044; 90
2924.9He, Xiao-Xiao; Guo, Ya-Mei
Two Zn^II^ coordination complexes assembled by trithiocyanuric acid and two different N-donor auxiliary ligands
Acta Crystallographica Section C, 2014, 70
2019618 CIF
HKL
Paper
Au Ca SnI m m 24.5261; 7.1356; 7.8147
90; 90; 90
252.39Lin, Qisheng; Corbett, John D.
The low-temperature form of calcium gold stannide, CaAuSn
Acta Crystallographica Section C, 2014, 70
2019619 CIF
HKL
Paper
C11 H13 N3 O2 S2P b c a8.53937; 15.0206; 21.396
90; 90; 90
2744.39Li, Xiaozhou; Bond, Andrew D.; Johansson, Kristoffer E.; Van de Streek, Jacco
Distinguishing tautomerism in the crystal structure of (<i>Z</i>)-<i>N</i>-(5-ethyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene)-4-methylbenzenesulfonamide using DFT-D calculations and ^13^C solid-state NMR
Acta Crystallographica Section C, 2014, 70
2019620 CIF
Paper
C13 H12 Cd2 N4 O10 S2P 1 21/n 110.3834; 6.807; 25.4684
90; 96.25; 90
1789.4Hao, Xiao-Min; Chen, Gang; Gu, Chang-Sheng; Liu, Ji-Wei
The two-dimensional coordination polymer poly[diaqua(μ~2~-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline)-μ~4~-sulfato-μ~3~-sulfato-dicadmium(II)]
Acta Crystallographica Section C, 2014, 70
2019621 CIF
HKL
C19 H25 N7 O4P 1 21/n 113.6666; 9.6505; 15.1672
90; 95.079; 90
1992.54Wani, Naiem Ahmad; Gupta, Vivek Kumar; Kant, Rajni; Aravinda, Subrayashastry; Rai, Rajkishor
An unusual conformation of gabapentin (Gpn) in Pyr-Gpn-NH-NH-Pyr stabilized by weak interactions
Acta Crystallographica Section C, 2014, 70
2019622 CIF
HKL
Paper
C30.5 H25 Cl3 Co N4P b c n13.798; 20.8958; 19.2954
90; 90; 90
5563.3Nyamato, George S.; Ojwach, Stephen O.; Akerman, Matthew P.
Packing forces in dichloridobis(3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)cobalt(II) dichloromethane hemisolvate
Acta Crystallographica Section C, 2014, 70

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