Crystallography Open Database

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2312256 CIFC10.86 H8 Fe0.29 N1.71 S0.57P c c n12.918; 14.9481; 17.6212
90; 90; 90		3402.65Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.
Structural insight into the cooperativity of spin crossover compounds.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 354-367
2312257 CIFC10.86 H8 Fe0.29 N1.71 S0.57P c c n12.9471; 15.1392; 17.6059
90; 90; 90		3450.9Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.
Structural insight into the cooperativity of spin crossover compounds.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 354-367
2312258 CIFC10.86 H8 Fe0.29 N1.71 S0.57P c c n12.9639; 15.2874; 17.5947
90; 90; 90		3487Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.
Structural insight into the cooperativity of spin crossover compounds.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 354-367
2312259 CIFC10.86 H8 Fe0.29 N1.71 S0.57P c c n12.9567; 15.2136; 17.602
90; 90; 90		3469.7Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.
Structural insight into the cooperativity of spin crossover compounds.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 354-367
2312260 CIFC10.86 H8 Fe0.29 N1.71 S0.57P c c n12.3654; 14.8067; 18.226
90; 90; 90		3337.01Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.
Structural insight into the cooperativity of spin crossover compounds.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 354-367
2312261 CIFC10.86 H8 Fe0.29 N1.71 S0.57P c c n12.9645; 15.3174; 17.59
90; 90; 90		3493.1Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.
Structural insight into the cooperativity of spin crossover compounds.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 354-367
2312262 CIFC10.86 H8 Fe0.29 N1.71 S0.57P c c n12.9256; 14.9915; 17.6177
90; 90; 90		3413.85Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.
Structural insight into the cooperativity of spin crossover compounds.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 354-367
2312263 CIFC10.86 H8 Fe0.29 N1.71 S0.57P c c n12.9498; 15.1732; 17.6021
90; 90; 90		3458.6Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.
Structural insight into the cooperativity of spin crossover compounds.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 354-367
2312264 CIFC10.86 H8 Fe0.29 N1.71 S0.57P c c n12.9281; 15.0131; 17.6172
90; 90; 90		3419.34Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.
Structural insight into the cooperativity of spin crossover compounds.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 354-367
2312265 CIFC10.86 H8 Fe0.29 N1.71 S0.57P c c n12.3593; 14.7857; 18.2342
90; 90; 90		3332.13Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.
Structural insight into the cooperativity of spin crossover compounds.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 354-367
2312266 CIF
HKL		C10.86 H8 Fe0.29 N1.71 S0.57P c c n12.9662; 15.3404; 17.5869
90; 90; 90		3498.2Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.
Structural insight into the cooperativity of spin crossover compounds.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 354-367
2312267 CIFC10.86 H8 Fe0.29 N1.71 S0.57P c c n12.9604; 15.2712; 17.5958
90; 90; 90		3482.6Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.
Structural insight into the cooperativity of spin crossover compounds.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 354-367
2312268 CIFC10.86 H8 Fe0.29 N1.71 S0.57P c c n12.3525; 14.7569; 18.2457
90; 90; 90		3325.91Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.
Structural insight into the cooperativity of spin crossover compounds.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 354-367
2312269 CIFC10.86 H8 Fe0.29 N1.71 S0.57P c c n12.9149; 14.927; 17.6232
90; 90; 90		3397.41Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.
Structural insight into the cooperativity of spin crossover compounds.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 354-367
2312270 CIFC10.86 H8 Fe0.29 N1.71 S0.57P c c n12.9419; 15.1014; 17.6085
90; 90; 90		3441.42Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.
Structural insight into the cooperativity of spin crossover compounds.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 354-367
2312271 CIFC10.86 H8 Fe0.29 N1.71 S0.57P c c n12.9392; 15.0898; 17.6092
90; 90; 90		3438.2Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.
Structural insight into the cooperativity of spin crossover compounds.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 354-367
2312272 CIFC10.86 H8 Fe0.29 N1.71 S0.57P c c n12.3576; 14.7766; 18.2377
90; 90; 90		3330.26Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.
Structural insight into the cooperativity of spin crossover compounds.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 354-367
2312273 CIFC10.86 H8 Fe0.29 N1.71 S0.57P c c n12.3415; 14.7126; 18.2629
90; 90; 90		3316.1Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.
Structural insight into the cooperativity of spin crossover compounds.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 354-367
2312274 CIFC10.86 H8 Fe0.29 N1.71 S0.57P c c n12.9317; 15.0357; 17.6142
90; 90; 90		3424.86Shahed, H.; Sharma, N.; Angst, M.; Voigt, J.; Perßon, J; Prakash, P.; Törnroos, K W; Chernyshov, D.; Gildenast, H.; Ohl, M.; Saffarini, G.; Grzechnik, A.; Friese, K.
Structural insight into the cooperativity of spin crossover compounds.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 354-367
2312283 CIFAl0.08 B Fe1.183 Mg1.737 O5P b a m9.2532; 12.3025; 3.0256
90; 90; 90		344.43Biryukov, Yaroslav P.; Zinnatullin, Almaz L.; Levashova, Irina O.; Shablinskii, Andrey P.; Bubnova, Rimma S.; Vagizov, Farit G.; Ugolkov, Valery L.; Filatov, Stanislav K.; Pekov, Igor V.
Crystal structure refinement, low- and high-temperature X-ray diffraction and Mössbauer spectroscopy study of the oxoborate ludwigite from the Iten'yurginskoe deposit.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79
2312284 CIF
HKL		Cl H26 Na O13C 1 2/m 111.403; 11.882; 10.905
90; 119.475; 90		1286.3Yamashita, Keishiro; Nakayama, Kazuya; Komatsu, Kazuki; Ohhara, Takashi; Munakata, Koji; Hattori, Takanori; Sano-Furukawa, Asami; Kagi, Hiroyuki
The hydrogen-bond network in sodium chloride tridecahydrate: analogy with ice VI.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79
2312285 CIF
HKL		Cl D26 Na O13C 1 2/m 111.3436; 11.8254; 10.8625
90; 119.345; 90		1270.15Yamashita, Keishiro; Nakayama, Kazuya; Komatsu, Kazuki; Ohhara, Takashi; Munakata, Koji; Hattori, Takanori; Sano-Furukawa, Asami; Kagi, Hiroyuki
The hydrogen-bond network in sodium chloride tridecahydrate: analogy with ice VI.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79
2312317 CIF
HKL		C48.5 H35.5 N4 O0.5C 1 2/c 127.946; 7.0236; 21.61
90; 119.031; 90		3708.7Marchetti, Danilo; Pedrini, Alessandro; Massera, Chiara; Diame, Moussa Faye; Jandl, Christian; Steinfeld, Gunther; Gemmi, Mauro
3D electron diffraction analysis of a novel, mechanochemically synthesized supramolecular organic framework based on tetrakis-4-(4-pyridyl)phenylmethane.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 432-436
2312318 CIF
HKL		C18 H10 Cl2 N2 O4P 1 21 112.4202; 3.7916; 16.915
90; 107.792; 90		758.47Anil Kumar, G. N.; Hathwar, Venkatesha R.
Quantifying weak interactions in ferroelectric and paraelectric phases of phenazine and chloroanilic acid co-crystal using experimental and theoretical electron densities.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79
2312324 CIFBi2 S Te2R -3 m :H4.2854; 4.2854; 30.02341
90; 90; 120		477.5Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy
Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 482-494
2312325 CIFBi4 Pb2 S4 Te4R -3 m :H4.2701; 4.2701; 40.41287
90; 90; 120		638.155Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy
Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 482-494
2312326 CIFBi4 Pb2 S4 Te4R -3 m :H4.27221; 4.27221; 80.7301
90; 90; 120		1276.06Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy
Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 482-494
2312327 CIFBi4 Pb4 S6 Te4P -3 m 14.25788; 4.25788; 16.9431
90; 90; 120		266.018Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy
Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 482-494
2312328 CIFBi4 Pb4 S6 Te4P -3 m 14.26052; 4.26052; 33.81797
90; 90; 120		531.623Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy
Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 482-494
2312329 CIFBi4 Pb6 S8 Te4R -3 m :H4.25029; 4.25029; 61.24237
90; 90; 120		958.12Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy
Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 482-494
2312330 CIFBi4 Pb8 S10 Te4R -3 m :H4.24478; 4.24478; 71.45943
90; 90; 120		1115.07Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy
Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 482-494
2312331 CIFBi4 Pb10 S12 Te4P -3 m 14.24282; 4.24282; 27.31123
90; 90; 120		425.776Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy
Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 482-494
2312332 CIFBi4 Pb12 S14 Te4R -3 m :H4.24175; 4.24175; 92.27622
90; 90; 120		1437.84Yao, Jie; Ciobanu, Cristiana L.; Cook, Nigel J.; Ehrig, Kathy
Ab initio crystal structures and relative phase stabilities for the aleksite series, Pb<sub>n</sub>Bi<sub>4</sub>Te<sub>4</sub>S<sub>n+2</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 482-494
2312335 CIF
HKL
Paper		Fe H6 K3 O12 Te2I 1 2/m 112.8036; 14.9042; 5.9782
90; 90.002; 90		1140.8Wolflehner, Tobias; Stöger, Berthold
Order-disorder (OD) polytypism of K<sub>3</sub>FeTe<sub>2</sub>O<sub>8</sub>(OH)<sub>2</sub>(H<sub>2</sub>O)<sub>1+x</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 510-518
2312336 CIF
HKL		Fe H4.86 K3 O11.43 Te2I 1 2/m 112.766; 14.947; 5.9706
90; 90.047; 90		1139.27Wolflehner, Tobias; Stöger, Berthold
Order-disorder (OD) polytypism of K<sub>3</sub>FeTe<sub>2</sub>O<sub>8</sub>(OH)<sub>2</sub>(H<sub>2</sub>O)<sub>1+x</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 510-518
2312337 CIF
HKL
Paper		C10 H12 K2 N10 O4C 1 2/c 136.3; 3.7804; 28.6
90; 129; 90		3050Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.
A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79
2312338 CIF
HKL		C10 H12 K2 N10 O4C 1 2/c 136.04; 3.6849; 28.44
90; 128.7; 90		2948Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.
A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79
2312339 CIF
HKL		C10 H12 K2 N10 O4C 1 2/c 135.81; 3.6016; 28.27
90; 128.3; 90		2861Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.
A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79
2312340 CIF
HKL		C10 H12 K2 N10 O4C 1 2/c 135.61; 3.5185; 28.11
90; 128; 90		2775Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.
A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79
2312341 CIF
HKL		C10 H12 K2 N10 O4C 1 2/c 135.4; 3.4511; 28.01
90; 127.8; 90		2704Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.
A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79
2312342 CIF
HKL		C10 H12 K2 N10 O4C 1 2/c 135.29; 3.3723; 27.84
90; 127.2; 90		2639Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.
A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79
2312343 CIF
HKL		C10 H12 K2 N10 O4C 1 2/c 136.468; 3.8405; 28.701
90; 129.39; 90		3106.6Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.
A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79
2312344 CIF
HKL		C10 H12 K2 N10 O4C 1 2/c 136.007; 3.68425; 28.377
90; 128.63; 90		2940.8Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.
A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79
2312345 CIF
HKL		C10 H12 K2 N10 O4C 1 2/c 135.487; 3.48553; 28.117
90; 128; 90		2740.6Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.
A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79
2312346 CIF
HKL		C10 H12 K2 N10 O4C 1 2/c 136.007; 3.66703; 28.389
90; 128.68; 90		2926Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.
A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K<sup>+</sup>·C<sub>5</sub>H<sub>4</sub>N<sub>5</sub>O<sup>-</sup>·H<sub>2</sub>O.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79
2312353 CIF
HKL		C26 H30 N2 O2P -18.0045; 9.2035; 15.821
90.211; 102.112; 93.805		1136.88Zhang, Yanli; Liu, Hui; Chen, Zongxin; Meng, Jialei; Li, Yunfeng; Qi, Luyao; Zhang, Suiliang; Chen, Xiaofeng; Lei, Ming
A drug-drug cocrystal and a co-amorphous form, prepared from honokiol and ligustrazine, inspired by Chinese patent medicine.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79
2312354 CIF
HKL
Paper		C40 H52 Cd3 Cl2 N4 O10P -19.7566; 10.8671; 11.8861
67.067; 78.948; 66.83		1065.92Jin, Nanhao; Liu, Yuqi; Dai, Siyu; Li, Yanghua; Wang, Xinying; Zhao, Yue; Liu, Xiaoming; Chen, Han; Luo, Huilong; Li, Wei
Design and synthesis of diverse Cd<sup>2+</sup>/Zn<sup>2+</sup>/Cu<sup>2+</sup> coordination polymers tuned by dicarboxylate and auxiliary 1,4-bis(pyridin-4-ylmethyl)piperazine ligands with luminescence and Hirshfeld surface analyses.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79
2312355 CIF
HKL
Paper		C44 H80 Cd2 N8 O20C 1 2/c 123.447; 14.4538; 8.7016
90; 96.232; 90		2931.5Jin, Nanhao; Liu, Yuqi; Dai, Siyu; Li, Yanghua; Wang, Xinying; Zhao, Yue; Liu, Xiaoming; Chen, Han; Luo, Huilong; Li, Wei
Design and synthesis of diverse Cd<sup>2+</sup>/Zn<sup>2+</sup>/Cu<sup>2+</sup> coordination polymers tuned by dicarboxylate and auxiliary 1,4-bis(pyridin-4-ylmethyl)piperazine ligands with luminescence and Hirshfeld surface analyses.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79
2312356 CIF
HKL
Paper		C24 H26 N4 O6 ZnP -19.6423; 10.3812; 12.9847
96.183; 90.257; 115.326		1166.1Jin, Nanhao; Liu, Yuqi; Dai, Siyu; Li, Yanghua; Wang, Xinying; Zhao, Yue; Liu, Xiaoming; Chen, Han; Luo, Huilong; Li, Wei
Design and synthesis of diverse Cd<sup>2+</sup>/Zn<sup>2+</sup>/Cu<sup>2+</sup> coordination polymers tuned by dicarboxylate and auxiliary 1,4-bis(pyridin-4-ylmethyl)piperazine ligands with luminescence and Hirshfeld surface analyses.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79
2312357 CIF
HKL
Paper		C20 H26 Cu N4 O6C 1 2/m 18.829; 12.668; 10.008
90; 97.302; 90		1110.3Jin, Nanhao; Liu, Yuqi; Dai, Siyu; Li, Yanghua; Wang, Xinying; Zhao, Yue; Liu, Xiaoming; Chen, Han; Luo, Huilong; Li, Wei
Design and synthesis of diverse Cd<sup>2+</sup>/Zn<sup>2+</sup>/Cu<sup>2+</sup> coordination polymers tuned by dicarboxylate and auxiliary 1,4-bis(pyridin-4-ylmethyl)piperazine ligands with luminescence and Hirshfeld surface analyses.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79
2312368 CIF
HKL		C18 H19 Cl2 N O4P 1 21/n 111.1017; 12.5717; 13.5023
90; 107.056; 90		1801.6Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Hall, Michael J.; Probert, Michael R.
High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 4-12
2312369 CIF
HKL		C17 H18 N2 O6P 1 21/c 110.6713; 10.3971; 14.7824
90; 94.545; 90		1634.96Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Hall, Michael J.; Probert, Michael R.
High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 4-12
2312370 CIF
HKL		C19 H22 N2 O7P 1 21/c 114.0927; 9.2253; 14.5139
90; 97.164; 90		1872.21Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Hall, Michael J.; Probert, Michael R.
High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 4-12
2312371 CIF
HKL		C20 H24 N2 O6P 1 21/n 110.7862; 15.632; 11.9241
90; 102.528; 90		1962.65Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Hall, Michael J.; Probert, Michael R.
High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 4-12
2312372 CIF
HKL		C18 H20 N2 O6P 1 21/c 18.8143; 15.3632; 12.9602
90; 93.615; 90		1751.52Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Hall, Michael J.; Probert, Michael R.
High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 4-12
2312373 CIF
HKL		C27 H28 N2 O7F d d 215.0989; 59.567; 10.954
90; 90; 90		9852Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Hall, Michael J.; Probert, Michael R.
High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 4-12
2312374 CIF
HKL		C21 H26 N2 O7P 1 21/c 113.8103; 10.7631; 14.8187
90; 104.604; 90		2131.51Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Hall, Michael J.; Probert, Michael R.
High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 4-12
2312375 CIF
HKL		C23 H32 N2 O8 SP -19.505; 11.865; 12.7533
63.606; 77.493; 89.029		1252.59Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Hall, Michael J.; Probert, Michael R.
High-throughput nanoscale crystallization of dihydropyridine active pharmaceutical ingredients.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 4-12
2312376 CIF
HKL
Paper		C10 H8 N2 O2P 1 21/c 14.7332; 14.6353; 12.5289
90; 94.037; 90		865.75Shishkina, Svitlana V.; Shaposhnyk, Anna M.; Konovalova, Irina S.; Dyakonenko, Victoriya V.; Vaksler, Yevhenii O.
Concomitant polymorphs of 2-imino-2H-chromene-3-carboxylic acid amide: experimental and quantum chemical study.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312377 CIF
HKL		C10 H8 N2 O2P -17.0199; 7.072; 9.6216
91.482; 98.773; 109.115		444.57Shishkina, Svitlana V.; Shaposhnyk, Anna M.; Konovalova, Irina S.; Dyakonenko, Victoriya V.; Vaksler, Yevhenii O.
Concomitant polymorphs of 2-imino-2H-chromene-3-carboxylic acid amide: experimental and quantum chemical study.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312378 CIF
HKL
Paper		C20 H14 O6P 1 21/n 13.82699; 35.3044; 5.73042
90; 90.336; 90		774.22Naifert, Sergei A.; Osipov, Artem A.; Efremov, Andrey N.; Rajakumar, Kanthapazham; Uchaev, Daniil A.; Zherebtsov, Dmitry A.; Belov, Kirill N.
1D and 2D coordination polymers with a new rigid chelating linker: diacetylenedisalicylic acid.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312379 CIF
HKL		C20 H17 N O6P 1 21/c 111.5705; 12.5736; 13.5708
90; 91.271; 90		1973.83Naifert, Sergei A.; Osipov, Artem A.; Efremov, Andrey N.; Rajakumar, Kanthapazham; Uchaev, Daniil A.; Zherebtsov, Dmitry A.; Belov, Kirill N.
1D and 2D coordination polymers with a new rigid chelating linker: diacetylenedisalicylic acid.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312380 CIF
HKL		C51 H53 N5 Na2 O17P -19.0522; 10.7406; 15.0867
71.631; 76.965; 68.737		1287.01Naifert, Sergei A.; Osipov, Artem A.; Efremov, Andrey N.; Rajakumar, Kanthapazham; Uchaev, Daniil A.; Zherebtsov, Dmitry A.; Belov, Kirill N.
1D and 2D coordination polymers with a new rigid chelating linker: diacetylenedisalicylic acid.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312381 CIF
HKL		Al F H2 O2P 1 21/c 15.1788; 7.8386; 5.1624
90; 116.276; 90		187.91Zubkova, Natalia V.; Pekov, Igor V.; Ksenofontov, Dmitry A.; Pushcharovsky, Dmitry Yu
Zharchikhite, AlF(OH)<sub>2</sub>: a novel structure type related to α-PbO<sub>2</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312382 CIF
HKL		C30 H32 Cu N10 O6P -18.3305; 8.8175; 11.501
83.096; 72.285; 66.328		737.02Le Garff, Paul; Maria Losus, Renny; Chaudhary, Simran; Dobrzańska, Liliana
Tailoring the dimensionality of metal complexes via ligand modifications.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312383 CIF
HKL		C38 H48 Cu2 N14 O13C 1 2/m 114.5524; 18.5525; 8.1383
90; 90.245; 90		2197.19Le Garff, Paul; Maria Losus, Renny; Chaudhary, Simran; Dobrzańska, Liliana
Tailoring the dimensionality of metal complexes via ligand modifications.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312384 CIF
HKL		C38 H48 Cu2 N12 O12P -17.6782; 12.1895; 12.7801
68.886; 89.049; 79.749		1096.55Le Garff, Paul; Maria Losus, Renny; Chaudhary, Simran; Dobrzańska, Liliana
Tailoring the dimensionality of metal complexes via ligand modifications.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312425 CIFCa8 O16 Si4P n m a6.776; 5.496; 9.252
90; 90; 90		344.553Plana-Ruiz, Sergi; Götz, Emilia; Neumann, Thomas; Schwesig, Peter; Kolb, Ute
Three-dimensional electron diffraction on clinkers: the belite α'<sub>H</sub> incommensurate modulated structure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 105-116
2312426 CIFCa8 O16 Si4P n m a6.776; 5.496; 9.252
90; 90; 90		344.553Plana-Ruiz, Sergi; Götz, Emilia; Neumann, Thomas; Schwesig, Peter; Kolb, Ute
Three-dimensional electron diffraction on clinkers: the belite α'<sub>H</sub> incommensurate modulated structure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 105-116
2312427 CIFCa8 O16 Si4P n m a6.765; 5.514; 9.25
90; 90; 90		345.045Plana-Ruiz, Sergi; Götz, Emilia; Neumann, Thomas; Schwesig, Peter; Kolb, Ute
Three-dimensional electron diffraction on clinkers: the belite α'<sub>H</sub> incommensurate modulated structure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 105-116
2312428 CIFCa8 O16 Si4P n m a6.765; 5.514; 9.25
90; 90; 90		345.045Plana-Ruiz, Sergi; Götz, Emilia; Neumann, Thomas; Schwesig, Peter; Kolb, Ute
Three-dimensional electron diffraction on clinkers: the belite α'<sub>H</sub> incommensurate modulated structure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 105-116
2312431 CIF
HKL
Paper		C22 H18 O4P b c a7.2034; 5.961; 37.6935
90; 90; 90		1618.54Osipov, Artyom A.; Nayfert, Sergey A.; Sobalev, Sergey A.; Rajakumar, Kanthapazham; Zherebtsov, Dmitry A.; Spiridonova, Dar'ya V.; Vinnik, Denis A.
Effect of a halogen bond on the crystal structure of terphenyldicarboxylic acid derivatives.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312432 CIF
HKL
Paper		C22 H16 I2 O4P 1 21/n 17.458; 14.6955; 9.7079
90; 111.084; 90		992.75Osipov, Artyom A.; Nayfert, Sergey A.; Sobalev, Sergey A.; Rajakumar, Kanthapazham; Zherebtsov, Dmitry A.; Spiridonova, Dar'ya V.; Vinnik, Denis A.
Effect of a halogen bond on the crystal structure of terphenyldicarboxylic acid derivatives.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312433 CIF
HKL
Paper		C20 H13 K O4I 1 2/a 16.0126; 6.9783; 34.941
90; 93.359; 90		1463.53Osipov, Artyom A.; Nayfert, Sergey A.; Sobalev, Sergey A.; Rajakumar, Kanthapazham; Zherebtsov, Dmitry A.; Spiridonova, Dar'ya V.; Vinnik, Denis A.
Effect of a halogen bond on the crystal structure of terphenyldicarboxylic acid derivatives.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312434 CIF
HKL
Paper		C16 H14 O4P b c a7.1094; 5.9629; 29.6773
90; 90; 90		1258.1Osipov, Artyom A.; Nayfert, Sergey A.; Sobalev, Sergey A.; Rajakumar, Kanthapazham; Zherebtsov, Dmitry A.; Spiridonova, Dar'ya V.; Vinnik, Denis A.
Effect of a halogen bond on the crystal structure of terphenyldicarboxylic acid derivatives.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312435 CIF
HKL		B2 K O6 Sr YP 1 21/m 16.5888; 5.3664; 8.5293
90; 105.389; 90		290.77Kuznetsov, Artem B.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Sofich, Dmitry O.; Sagatov, Nursultan; Gavryushkin, Pavel N.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Shevchenko, Vyacheslav S.; Kokh, Alexander E.
Growth, crystal structure and IR luminescence of KSrY<sub>1-x</sub>Er<sub>x</sub>(BO<sub>3</sub>)<sub>2</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312436 CIF
HKL		B6 K3 O18 Sr3 Y3R -3 m :H5.3798; 5.3798; 17.6988
90; 90; 120		443.62Kuznetsov, Artem B.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Sofich, Dmitry O.; Sagatov, Nursultan; Gavryushkin, Pavel N.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Shevchenko, Vyacheslav S.; Kokh, Alexander E.
Growth, crystal structure and IR luminescence of KSrY<sub>1-x</sub>Er<sub>x</sub>(BO<sub>3</sub>)<sub>2</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312437 CIF
HKL		B2 K O6 Sr YP 1 21/m 16.594; 5.3718; 8.5241
90; 105.39; 90		291.11Kuznetsov, Artem B.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Sofich, Dmitry O.; Sagatov, Nursultan; Gavryushkin, Pavel N.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Shevchenko, Vyacheslav S.; Kokh, Alexander E.
Growth, crystal structure and IR luminescence of KSrY<sub>1-x</sub>Er<sub>x</sub>(BO<sub>3</sub>)<sub>2</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312438 CIF
Paper		C12 H24 Cl6 O6 Rb SbR -3 :H14.0325; 14.0325; 9.9333
90; 90; 120		1693.93Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 135-145
2312439 CIFC12 H24 Cl6 O6 Rb SbR -3 :H14.1212; 14.1212; 10.2274
90; 90; 120		1766.2Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 135-145
2312440 CIFC12 H24 Cl6 O6 Rb SbR -3 :H14.0925; 14.0925; 10.1233
90; 90; 120		1741.1Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 135-145
2312441 CIFC12 H24 Cl6 O6 Rb SbR -3 :H14.0661; 14.0661; 10.0405
90; 90; 120		1720.42Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 135-145
2312442 CIFC12 H24 Cl6 O6 Rb SbR -3 :H14.0266; 14.0266; 9.9794
90; 90; 120		1700.36Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 135-145
2312443 CIFC12 H24 Cl6 O6 Rb SbR -3 :H13.9661; 13.9661; 9.8695
90; 90; 120		1667.16Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 135-145
2312444 CIFC12 H24 Cl6 O6 Rb SbR -3 :H13.9423; 13.9423; 9.8301
90; 90; 120		1654.85Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 135-145
2312445 CIFC12 H24 Cl6 O6 Rb SbR -3 :H13.9035; 13.9035; 9.7746
90; 90; 120		1636.36Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 135-145
2312446 CIFC12 H24 Cl6 O6 Rb SbR -3 :H13.8794; 13.8794; 9.7474
90; 90; 120		1626.15Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 135-145
2312447 CIFC12 H24 Cl6 O6 Rb SbR -3 :H13.8732; 13.8732; 9.7282
90; 90; 120		1621.5Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 135-145
2312448 CIFC12 H24 Cl6 O6 Rb SbR -3 :H13.8347; 13.8347; 9.6719
90; 90; 120		1603.18Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 135-145
2312449 CIFC12 H24 Cl6 O6 Rb SbR -3 :H13.8133; 13.8133; 9.644
90; 90; 120		1593.61Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 135-145
2312450 CIFC12 H24 Cl6 O6 Rb SbR -3 :H13.776; 13.776; 9.5808
90; 90; 120		1574.63Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 135-145
2312451 CIFC12 H24 Cl6 O6 Rb SbR -3 :H13.7392; 13.7392; 9.5341
90; 90; 120		1558.59Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 135-145
2312452 CIFC12 H24 Cl6 O6 Rb SbR -3 :H13.6805; 13.6805; 9.4433
90; 90; 120		1530.59Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 135-145
2312453 CIFC12 H24 Cl6 O6 Rb SbR -3 :H13.8103; 13.8103; 9.6615
90; 90; 120		1595.8Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 135-145
2312454 CIFC12 H24 Cl6 O6 Rb SbR -3 :H13.8733; 13.8733; 9.7541
90; 90; 120		1625.8Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 135-145
2312455 CIFC12 H24 Cl6 O6 Rb SbR -3 :H13.9183; 13.9183; 9.8453
90; 90; 120		1651.7Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 135-145
2312456 CIFC12 H24 Cl6 O6 Rb SbR -3 :H14.0337; 14.0337; 10.0671
90; 90; 120		1717Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 135-145
2312457 CIFC12 H24 Cl6 O6 Rb SbR -3 :H14.1078; 14.1078; 10.2256
90; 90; 120		1762.5Rusanov, Eduard B.; Wörle, Michael D; Kovalenko, Maksym V.; Domasevitch, Kostiantyn V.; Rusanova, Julia A.
Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 135-145
2312481 CIF
HKL		Br Co H15 N7 O5P n m a15.0056; 7.4101; 9.6803
90; 90; 90		1076.38Kalinina, Polina P.; Marchuk, Alexander S.; Sahoo, Subash; Zakharov, Boris A.; Boldyreva, Elena V.
A comparison of the isostructural [Co(NH<sub>3</sub>)<sub>5</sub>NO<sub>2</sub>]XNO<sub>3</sub> and [Co(NH<sub>3</sub>)<sub>5</sub>ONO]XNO<sub>3</sub>, X = Cl<sup>-</sup> or Br<sup>-</sup> in relation to nitro-nitrito linkage isomerization and photomechanical effects.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312482 CIF
HKL		Br Co H15 N7 O5P n m a14.7201; 7.5516; 9.6879
90; 90; 90		1076.91Kalinina, Polina P.; Marchuk, Alexander S.; Sahoo, Subash; Zakharov, Boris A.; Boldyreva, Elena V.
A comparison of the isostructural [Co(NH<sub>3</sub>)<sub>5</sub>NO<sub>2</sub>]XNO<sub>3</sub> and [Co(NH<sub>3</sub>)<sub>5</sub>ONO]XNO<sub>3</sub>, X = Cl<sup>-</sup> or Br<sup>-</sup> in relation to nitro-nitrito linkage isomerization and photomechanical effects.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312486 CIF
Paper		C9 H9 Cl2 N5 OP 1 21/n 19.3283; 9.8379; 12.9148
90; 101.405; 90		1161.8Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312487 CIF
Paper		C11 H13 Cl2 N5 OP 1 21/n 17.6894; 11.3816; 15.9147
90; 92.71; 90		1391.26Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312488 CIF
Paper		C11 H13 Cl2 N5 OC 1 2/c 121.268; 10.45; 19.085
90; 136.662; 90		2911Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312489 CIF
Paper		C12 H13 Cl2 N5 OP -17.1227; 10.6434; 10.9101
94.031; 100.823; 107.105		769.47Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312490 CIF
Paper		C15 H23 Cl2 N5 O2P 1 21/n 110.5757; 12.8768; 15.0121
90; 95.258; 90		2035.8Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312491 CIF
Paper		C13 H17 Cl2 N5 OP -110.8596; 11.4487; 15.5823
98.562; 101.242; 115.425		1655.9Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312492 CIF
Paper		C17 H27 Cl2 N5 O2P -17.437; 10.302; 14.811
79.7; 85.34; 88.71		1112.7Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312493 CIF
Paper		C14 H21 Cl2 N5 O2P -17.6284; 8.5181; 14.519
84.043; 75.989; 85.943		909.41Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312494 CIF
Paper		C23 H17 Cl2 N7P -110.3096; 10.6257; 12.0489
74.28; 75.318; 67.161		1154.46Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312495 CIF
Paper		C11 H10 Cl2 N6P -17.9855; 8.6004; 10.9109
69.598; 82.227; 82.015		692.48Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312496 CIF
Paper		C11 H13 Cl2 N5 O SP 1 21/n 110.6626; 7.3529; 19.6714
90; 92.096; 90		1541.23Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312497 CIF
Paper		C24 H26 Cl4 N10 O3P -110.2684; 10.7665; 14.9036
71.197; 78.435; 74.957		1493.9Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312498 CIFGe4 N4 O4 SnP 63 m c5.876; 5.876; 9.418
90; 90; 120		281.6Gollé-Leidreiter, Philipp; Bhat, Shrikant; Wiehl, Leonore; Wen, Qingbo; Kroll, Peter; Ishikawa, Ryo; Etter, Martin; Farla, Robert; Ikuhara, Yuichi; Riedel, Ralf; Kolb, Ute
Crystal structures of two new high-pressure oxynitrides with composition SnGe<sub>4</sub>N<sub>4</sub>O<sub>4</sub>, from single-crystal electron diffraction.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312499 CIFGe4.158 N4 O4 Sn0.842P 63 m c5.839; 5.839; 9.365
90; 90; 120		276.51Gollé-Leidreiter, Philipp; Bhat, Shrikant; Wiehl, Leonore; Wen, Qingbo; Kroll, Peter; Ishikawa, Ryo; Etter, Martin; Farla, Robert; Ikuhara, Yuichi; Riedel, Ralf; Kolb, Ute
Crystal structures of two new high-pressure oxynitrides with composition SnGe<sub>4</sub>N<sub>4</sub>O<sub>4</sub>, from single-crystal electron diffraction.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312500 CIFGe24 N24 O24 Sn6R -3 m :H5.846; 5.846; 28.23
90; 90; 120		835.5Gollé-Leidreiter, Philipp; Bhat, Shrikant; Wiehl, Leonore; Wen, Qingbo; Kroll, Peter; Ishikawa, Ryo; Etter, Martin; Farla, Robert; Ikuhara, Yuichi; Riedel, Ralf; Kolb, Ute
Crystal structures of two new high-pressure oxynitrides with composition SnGe<sub>4</sub>N<sub>4</sub>O<sub>4</sub>, from single-crystal electron diffraction.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312501 CIFGe24 N24 O24 Sn6R -3 m :H5.846; 5.846; 28.23
90; 90; 120		835.5Gollé-Leidreiter, Philipp; Bhat, Shrikant; Wiehl, Leonore; Wen, Qingbo; Kroll, Peter; Ishikawa, Ryo; Etter, Martin; Farla, Robert; Ikuhara, Yuichi; Riedel, Ralf; Kolb, Ute
Crystal structures of two new high-pressure oxynitrides with composition SnGe<sub>4</sub>N<sub>4</sub>O<sub>4</sub>, from single-crystal electron diffraction.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312502 CIF
HKL		Cs4 H5 O16 P S3C 1 2/c 119.95; 7.856; 8.98
90; 100.12; 90		1386Makarova, Irina P.; Isakova, Natalia N.; Kalyukanov, Andrey I.; Gainutdinov, Radmir V.; Tolstikhina, Alla L.; Komornikov, Vladimir A.
Features of the crystal structure and surface of superprotonic conductor caesium hydrogen sulfate phosphate.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312533 CIF
Paper		C9 H12 N6 O3 S3P 1 21/c 114.4914; 5.1924; 19.8863
90; 91.457; 90		1495.86Ben, Anna; Hoelm, Marta; Chęcińska, Lilianna
Supramolecular architectures in multicomponent crystals of imidazole-based drugs and trithiocyanuric acid.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 294-304
2312534 CIF
Paper		C29 H31.32 Cl2 N7 O4.16 S3P 1 21/c 113.0291; 10.9297; 23.8029
90; 102.897; 90		3304.12Ben, Anna; Hoelm, Marta; Chęcińska, Lilianna
Supramolecular architectures in multicomponent crystals of imidazole-based drugs and trithiocyanuric acid.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 294-304
2312535 CIF
Paper		C39 H31 Cl8 N7 O2 S3P -18.7764; 15.8851; 16.5229
88.869; 80.569; 74.929		2193.6Ben, Anna; Hoelm, Marta; Chęcińska, Lilianna
Supramolecular architectures in multicomponent crystals of imidazole-based drugs and trithiocyanuric acid.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 294-304
2312594 CIF
Paper		Ca5.79 K0.72 Na1.71 O19 Si6P 41 2 27.3659; 7.3659; 32.2318
90; 90; 90		1748.78Kahlenberg, Volker; Krüger, Hannes; Garber, Sonja; Krüger, Biljana; Libowitzky, Eugen; Kröll, Stefanie; Hofer, Thomas S.; Gallmetzer, Josef M.; Purtscher, Felix R. S.
K<sub>0.72</sub>Na<sub>1.71</sub>Ca<sub>5.79</sub>Si<sub>6</sub>O<sub>19</sub> - the first oligosilicate based on [Si<sub>6</sub>O<sub>19</sub>]-hexamers and its stability compared to cyclosilicates.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 474-487
2312595 CIF
HKL		C10 H53 N14.4 O37.6 V10P 1 21/c 113.4299; 12.4338; 14.4959
90; 111.519; 90		2251.9Chatkon, Aungkana; Haller, Kenneth J.; Haller, Joseph P.
Substitutional/positional disorder of biguanide and guanylurea in the structure of a decavanadate complex [(Bg)(HV<sub>10</sub>O<sub>28</sub><sup>5-</sup>)]<sub>0.4</sub>[(HGU<sup>+</sup>)(V<sub>10</sub>O<sub>28</sub><sup>6-</sup>)]<sub>0.6</sub>(H<sub>2</sub>Met<sup>2+</sup>)<sub>2</sub>(H<sub>3</sub>O<sup>+</sup>)·8H<sub>2</sub>O.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 456-466
2312623 CIFC12 H56 Co2 N12 O17 V4P -18.6226; 8.9645; 12.8206
81.491; 71.357; 65.064		851.36Vosegaard, Emilie Skytte; Mamakhel, Mohammad Aref Hasen; Parmar, Vijay Singh; Bertelsen, Andreas Dueholm; Iversen, Bo Brummerstedt
Synthesis and characterization of an organic-inorganic hybrid crystal: 2[Co(en)<sub>3</sub>](V<sub>4</sub>O<sub>13</sub>)·4H<sub>2</sub>O.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 488-494
2312624 CIF
HKL		C Mo Si2 Y2P 4/m b m6.9525; 6.9525; 4.1962
90; 90; 90		202.83Vernière, Anne; Diop, Léopold V B; Sarr, Ibrahima; Schweitzer, Thierry; Malaman, Bernard
Crystal structure of new quaternary intermetallic compounds R<sub>2</sub>MoSi<sub>2</sub>C (R = Y, Gd).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 504-508
2312625 CIF
HKL		C Gd2 Mo Si2P 4/m b m6.9945; 6.9945; 4.202
90; 90; 90		205.57Vernière, Anne; Diop, Léopold V B; Sarr, Ibrahima; Schweitzer, Thierry; Malaman, Bernard
Crystal structure of new quaternary intermetallic compounds R<sub>2</sub>MoSi<sub>2</sub>C (R = Y, Gd).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 504-508
2312626 CIFC Cl2 SP 63/m6.0132; 6.0132; 6.513
90; 90; 120		203.95Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312627 CIF
Paper		C Cl2 SP 63/m5.947142; 5.947142; 6.236672
90; 90; 120		191.029Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312628 CIF
Paper		C Cl2 SP 63/m5.948306; 5.948306; 6.241408
90; 90; 120		191.249Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312629 CIF
Paper		C Cl2 SP 63/m5.94993; 5.94993; 6.248669
90; 90; 120		191.576Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312630 CIF
Paper		C Cl2 SP 63/m5.951973; 5.951973; 6.257723
90; 90; 120		191.986Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312631 CIF
Paper		C Cl2 SP 63/m5.954232; 5.954232; 6.268135
90; 90; 120		192.451Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312632 CIF
Paper		C Cl2 SP 63/m5.956673; 5.956673; 6.279521
90; 90; 120		192.959Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312633 CIF
Paper		C Cl2 SP 63/m5.959287; 5.959287; 6.291645
90; 90; 120		193.501Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312634 CIF
Paper		C Cl2 SP 63/m5.961975; 5.961975; 6.304428
90; 90; 120		194.069Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312635 CIF
Paper		C Cl2 SP 63/m5.964911; 5.964911; 6.317775
90; 90; 120		194.672Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312636 CIF
Paper		C Cl2 SP 63/m5.967823; 5.967823; 6.331802
90; 90; 120		195.294Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312637 CIF
Paper		C Cl2 SP 63/m5.970876; 5.970876; 6.346393
90; 90; 120		195.945Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312638 CIF
Paper		C Cl2 SP 63/m5.973921; 5.973921; 6.361643
90; 90; 120		196.616Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312639 CIF
Paper		C Cl2 SP 63/m5.977085; 5.977085; 6.377402
90; 90; 120		197.312Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312640 CIF
Paper		C Cl2 SP 63/m5.98029; 5.98029; 6.393824
90; 90; 120		198.032Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312641 CIF
Paper		C Cl2 SP 63/m5.983549; 5.983549; 6.410593
90; 90; 120		198.768Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312642 CIF
Paper		C Cl2 SP 63/m5.986904; 5.986904; 6.42811
90; 90; 120		199.535Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312643 CIF
Paper		C Cl2 SP 63/m5.990647; 5.990647; 6.446911
90; 90; 120		200.369Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312644 CIF
Paper		C Cl2 SP 63/m5.994491; 5.994491; 6.46654
90; 90; 120		201.237Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312645 CIF
Paper		C Cl2 SP 63/m5.998426; 5.998426; 6.487189
90; 90; 120		202.144Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312646 CIF
Paper		C Cl2 SP 63/m6.0025; 6.0025; 6.50883
90; 90; 120		203.094Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312647 CIF
Paper		C Cl2 SP 63/m6.006775; 6.006775; 6.53172
90; 90; 120		204.099Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312648 CIF
Paper		C Cl2 SP 63/m6.011293; 6.011293; 6.55562
90; 90; 120		205.154Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312665 CIF
HKL
Paper		C10 H2 K2 N10 O4C 1 2/c 134.434; 3.41097; 28.253
90; 126.49; 90		2667.9Gaydamaka, A. A.; Rashchenko, S. V.
Crystal structure of the incommensurate modulated high-pressure phase of the potassium guaninate monohydrate.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 676-681
2312698 CIF
HKL		C5 H16 N2 O4 S2P 1 21/c 16.6308; 12.4415; 12.6936
90; 100.074; 90		1031.04Charkin, Dmitri O.; Banaru, Alexandru M.; Ivanov, Semen A.; Kireev, Vadim E.; Aksenov, Sergey M.
A contribution to the crystal chemistry and topology of organic thiosulfates: bis(1-methylpiperazinium)·S<sub>2</sub>O<sub>3</sub>·H<sub>2</sub>O versus 1-methylpiperazinediium·S<sub>2</sub>O<sub>3</sub>·3H<sub>2</sub>O.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 706-714
2312699 CIF
HKL		C10 H32 N4 O6 S2P 1 21/n 115.3506; 7.363; 16.3573
90; 90.237; 90		1848.79Charkin, Dmitri O.; Banaru, Alexandru M.; Ivanov, Semen A.; Kireev, Vadim E.; Aksenov, Sergey M.
A contribution to the crystal chemistry and topology of organic thiosulfates: bis(1-methylpiperazinium)·S<sub>2</sub>O<sub>3</sub>·H<sub>2</sub>O versus 1-methylpiperazinediium·S<sub>2</sub>O<sub>3</sub>·3H<sub>2</sub>O.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 706-714
2312700 CIF
HKL
Paper		C13 H12 F N3 O5P -16.5047; 7.171; 13.9389
81.8901; 81.0672; 86.6887		635.45Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar
Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 793-806
2312701 CIF
HKL
Paper		C11 H8 Cl F N4 O5P 1 2/n 19.632; 8.42; 16.959
90; 96.781; 90		1365.8Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar
Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 793-806
2312702 CIF
HKL
Paper		C11 H11 F2 N6 O3P -17.2912; 9.3029; 10.7855
110.756; 99.6967; 95.2484		665.19Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar
Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 793-806
2312703 CIF
HKL
Paper		C22 H22 F4 N12 O6P -17.2415; 10.1036; 10.6423
111.517; 99.093; 110.41		641.36Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar
Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 793-806
2312704 CIF
HKL
Paper		C24 H24 F3 N9 O7P 1 21/c 17.252; 36.579; 10.195
90; 107.559; 90		2578Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar
Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 793-806
2312705 CIF
HKL
Paper		C40 H32.6 Cu4 Mo4 N8 O16.3P 1 21/c 19.7136; 23.759; 19.9289
90; 103.035; 90		4480.8Moya, Marielsys; Liendo-Polanco, Gustavo R; Atencio, Reinaldo; Silva, Pedro; Henao, Jose A.; Bruno-Colmenares, Julia
Coordination geometry flexibility driving supramolecular isomerism of Cu/Mo pillared-layer hybrid networks.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 782-792
2312706 CIF
HKL		C10 H9 Cu2 Mo2 N2 O8.5P -15.612; 5.7724; 12.4665
95.99; 93.999; 110.227		374.444Moya, Marielsys; Liendo-Polanco, Gustavo R; Atencio, Reinaldo; Silva, Pedro; Henao, Jose A.; Bruno-Colmenares, Julia
Coordination geometry flexibility driving supramolecular isomerism of Cu/Mo pillared-layer hybrid networks.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 782-792
2312707 CIF
HKL		C40 H32.8 Cu4 Mo4 N8 O15.4P b c n11.694; 9.0285; 21.3258
90; 90; 90		2251.56Moya, Marielsys; Liendo-Polanco, Gustavo R; Atencio, Reinaldo; Silva, Pedro; Henao, Jose A.; Bruno-Colmenares, Julia
Coordination geometry flexibility driving supramolecular isomerism of Cu/Mo pillared-layer hybrid networks.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 782-792
2312708 CIFC40 H32 Cu4 Mo8 N8 O26P 1 21/c 110.86409; 11.244; 21.9304
90; 94.1363; 90		2671.95Moya, Marielsys; Liendo-Polanco, Gustavo R; Atencio, Reinaldo; Silva, Pedro; Henao, Jose A.; Bruno-Colmenares, Julia
Coordination geometry flexibility driving supramolecular isomerism of Cu/Mo pillared-layer hybrid networks.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 782-792
2312709 CIF
HKL
Paper		C17 H23 I N2P 1 21 15.76; 7.9063; 17.6186
90; 97.412; 90		795.65Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312710 CIF
HKL
Paper		C18 H32 I2 N2 O3C 1 2/c 124.6407; 8.3854; 11.0576
90; 92.245; 90		2282.99Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312711 CIF
HKL
Paper		C26 H50 I6 N2 O4 S4P -19.7562; 13.3158; 18.6498
72.055; 86.424; 73.147		2205Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312712 CIF
HKL
Paper		C22 H42 N2 O10P b c n25.1134; 8.387; 11.857
90; 90; 90		2497.39Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312713 CIF
HKL
Paper		C22 H40 N2 O10P b c n24.8529; 8.3869; 11.939
90; 90; 90		2488.55Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312714 CIF
HKL
Paper		C108 H224 N12 O70 V12P -19.0744; 17.4077; 25.1209
92.859; 94.838; 101.799		3861.35Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312715 CIF
HKL
Paper		C34 H48 N2 O14P 1 21/c 112.9176; 8.8157; 15.5173
90; 99.836; 90		1741.1Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312716 CIF
HKL
Paper		C60 H80 N4 O18P -110.0218; 11.3143; 13.6143
92.431; 90.386; 113.564		1413.25Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312717 CIF
HKL
Paper		C54 H54 N2 Na2 O18P -4 21 c17.1314; 17.1314; 35.164
90; 90; 90		10320.1Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312718 CIF
HKL		C15 H13.968 O8.984P -13.7244; 13.05; 14.982
71.986; 83.86; 85.624		687.8Bibila Mayaya Bisseyou, Yvon; Wright, Jonathan; Jelsch, Christian
Conformational disorder in quercetin dihydrate revealed from ultrahigh-resolution synchrotron diffraction.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 766-781
2312719 CIF
Paper		Cu0 H O13 P3 Pb5P n m a13.5137; 10.2904; 9.3838
90; 90; 90		1304.92Xu, Mingyu; Wang, Haozhe; Vojvodin, Cameron; Yarava, Jayasubba Reddy; Wang, Tuo; Xie, Weiwei
Polymorphism of Pb<sub>5</sub>(PO<sub>4</sub>)<sub>3</sub>OH<sub>δ</sub> within the LK-99 mixture.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 746-750
2312726 CIF
HKL
Paper		Ni3 O8 V2C m c e5.93384; 11.38318; 8.23818
90; 90; 90		556.456Aziz, Fiza; Paszkowicz, Wojciech; Minikayev, Roman; Martin, Christine; Kozlowski, Miroslaw; Teisseyre, Henryk
Crystal structure of nickel orthovanadate (Ni<sub>3</sub>V<sub>2</sub>O<sub>8</sub>) at 299 (3) K and 1323 (8) K: an X-ray diffraction study.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 715-723
2312727 CIF
HKL		Ni3 O8 V2C m c e5.9324; 11.38492; 8.23893
90; 90; 90		556.457Aziz, Fiza; Paszkowicz, Wojciech; Minikayev, Roman; Martin, Christine; Kozlowski, Miroslaw; Teisseyre, Henryk
Crystal structure of nickel orthovanadate (Ni<sub>3</sub>V<sub>2</sub>O<sub>8</sub>) at 299 (3) K and 1323 (8) K: an X-ray diffraction study.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 715-723
2312728 CIF
HKL		Ni3 O8 V2C m c e6.02077; 11.48838; 8.32611
90; 90; 90		575.908Aziz, Fiza; Paszkowicz, Wojciech; Minikayev, Roman; Martin, Christine; Kozlowski, Miroslaw; Teisseyre, Henryk
Crystal structure of nickel orthovanadate (Ni<sub>3</sub>V<sub>2</sub>O<sub>8</sub>) at 299 (3) K and 1323 (8) K: an X-ray diffraction study.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 715-723
2312737 CIF
HKL		Ca0.31 Mn0.14 Na5 O12 P3 Zn1.55P n a 2112.9901; 16.2647; 5.2158
90; 90; 90		1101.99Yakubovich, Olga V.; Kiriukhina, Galina V.; Volkov, Anatoly S.; Dimitrova, Olga V.
A rare case of Na/Zn isomorphism in the crystal structure of acentric zincophosphate Na<sub>5</sub>Zn[Zn(PO<sub>4</sub>)<sub>3</sub>].
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312749 CIF
Paper		Fe0.13 Li0.13 Mg0.73 O3 SiP b c a18.1735; 8.77666; 5.19316
90; 90; 90		828.32Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando
Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312750 CIFFe0.14 Li0.14 Mg0.71 O3 SiP b c a18.1654; 8.773; 5.1958
90; 90; 90		828.03Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando
Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312751 CIFFe0.16 Li0.16 Mg0.69 O3 SiP b c a18.1718; 8.7706; 5.1992
90; 90; 90		828.64Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando
Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312752 CIFFe0.08 Li0.08 Mg0.84 O3 SiP b c n9.2232; 8.704; 5.3107
90; 90; 90		426.336Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando
Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312753 CIFFe0.08 Li0.08 Mg0.84 O3 SiP b c n9.2255; 8.7052; 5.3106
90; 90; 90		426.493Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando
Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312765 CIF
Paper		C12 H8 Cl5 N OP -17.3317; 8.9118; 11.8169
69.929; 84.854; 76.227		704.33Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří
Computation screening for incorrectly determined cocrystal structures.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 208-216
2312766 CIF
Paper		C18 H16 N2 O8C 1 2/c 123.9983; 6.7578; 11.4431
90; 116.034; 90		1667.5Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří
Computation screening for incorrectly determined cocrystal structures.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 208-216
2312767 CIF
Paper		C15 H16 N4 O5C 1 2/c 137.809; 5.2412; 16.254
90; 108.433; 90		3055.7Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří
Computation screening for incorrectly determined cocrystal structures.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 208-216
2312768 CIF
Paper		C12 H11 Cl2 N3 O3P -16.3868; 6.9694; 15.2424
92.0313; 93.0261; 103.601		657.73Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří
Computation screening for incorrectly determined cocrystal structures.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 208-216
2312769 CIF
Paper		C20 H30 N8 O4P 21 21 216.9874; 13.8458; 21.4834
90; 90; 90		2078.44Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří
Computation screening for incorrectly determined cocrystal structures.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 208-216
2312770 CIF
Paper		C22 H16 N6 O10P b c n14.9666; 7.0415; 21.835
90; 90; 90		2301.1Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří
Computation screening for incorrectly determined cocrystal structures.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 208-216
2312771 CIF
Paper		C34 H22 N4 O8P -17.0595; 7.2153; 13.9211
91.067; 102.473; 106		663.22Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří
Computation screening for incorrectly determined cocrystal structures.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 208-216
2312772 CIF
Paper		C29 H26 N2 O10C 1 2/c 122.9392; 4.7809; 24.1632
90; 96.542; 90		2632.7Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří
Computation screening for incorrectly determined cocrystal structures.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 208-216
2312773 CIF
Paper		C32 H30 N2 O4C 1 c 121.952; 7.3477; 17
90; 104.61; 90		2653.38Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří
Computation screening for incorrectly determined cocrystal structures.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 208-216
2312792 CIF
HKL
Paper		C15 H9 F3 N2 OP -18.0695; 8.9083; 19.4438
95.82; 96.025; 110.173		1290.48Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312793 CIF
HKL		C15 H9 F3 N2 OP 1 21/n 14.7186; 9.5567; 28.036
90; 93.525; 90		1261.87Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312794 CIF
HKL		C15 H9 F3 N2 OP 1 21/c 118.77; 19.92; 7.226
90; 90.72; 90		2702Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312795 CIF
HKL		C15 H9 F3 N2 OP -19.5134; 11.4082; 12.2991
91.435; 90.336; 94.786		1329.7Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312796 CIF
HKL		C15 H9 F3 N2 OP 1 21/c 17.746; 19.804; 9.126
90; 108.55; 90		1327.2Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312797 CIF
HKL		C15 H9 F3 N2 OP 1 21/c 14.934; 18.064; 14.446
90; 96.061; 90		1280.3Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312798 CIF
HKL		C15 H9 F3 N2 OP 1 21/n 14.9872; 34.236; 7.7939
90; 106.747; 90		1274.3Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312799 CIF
HKL		C15 H9 F3 N2 OP -111.0877; 13.1614; 14.1078
77.631; 74.266; 79.294		1917.68Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312800 CIF
HKL		C15 H9 F3 N2 OP 1 21/c 111.7628; 12.5764; 8.6239
90; 93.019; 90		1273.99Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312801 CIF
HKL		C15 H9 F3 N2 OP 1 21/n 110.804; 13.3892; 18.8504
90; 104.148; 90		2644.1Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312812 CIFCa Cs4 O19 Si8P 1 21/n 17.167; 12.0884; 12.4019
90; 90.044; 90		1074.47Kahlenberg, Volker
Cs<sub>4</sub>Ca[Si<sub>8</sub>O<sub>19</sub>]: a new mixed tetrahedral-octahedral oxosilicate, its topological features and comparison with other interrupted framework silicates.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312813 CIF
HKL		B Fe O3R -3 c :H4.6212; 4.6212; 14.473
90; 90; 120		267.67Smirnova, Ekaterina S.; Snegirev, Nikita I.; Lyubutin, Igor S.; Starchikov, Sergey S.; Artemov, Vladimir V.; Lyubutina, Marianna V.; Yagupov, Sergey V.; Strugatsky, Mark B.; Mogilenec, Yuliya A.; Seleznyova, Kira A.; Alekseeva, Olga A.
Flux growth, structure refinement and Mössbauer studies of Fe<sub>1-</sub><sub>x</sub>Ga<sub>x</sub>BO<sub>3</sub> single crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 1100-1108
2312814 CIF
HKL		B Fe0.95 Ga0.05 O3R -3 c :H4.6212; 4.6212; 14.47
90; 90; 120		267.61Smirnova, Ekaterina S.; Snegirev, Nikita I.; Lyubutin, Igor S.; Starchikov, Sergey S.; Artemov, Vladimir V.; Lyubutina, Marianna V.; Yagupov, Sergey V.; Strugatsky, Mark B.; Mogilenec, Yuliya A.; Seleznyova, Kira A.; Alekseeva, Olga A.
Flux growth, structure refinement and Mössbauer studies of Fe<sub>1-</sub><sub>x</sub>Ga<sub>x</sub>BO<sub>3</sub> single crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 1100-1108
2312815 CIF
HKL		B Fe0.74 Ga0.26 O3R -3 c :H4.6076; 4.6076; 14.406
90; 90; 120		264.86Smirnova, Ekaterina S.; Snegirev, Nikita I.; Lyubutin, Igor S.; Starchikov, Sergey S.; Artemov, Vladimir V.; Lyubutina, Marianna V.; Yagupov, Sergey V.; Strugatsky, Mark B.; Mogilenec, Yuliya A.; Seleznyova, Kira A.; Alekseeva, Olga A.
Flux growth, structure refinement and Mössbauer studies of Fe<sub>1-</sub><sub>x</sub>Ga<sub>x</sub>BO<sub>3</sub> single crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 1100-1108
2312816 CIF
HKL		B Fe0.32 Ga0.68 O3R -3 c :H4.5871; 4.5871; 14.291
90; 90; 120		260.42Smirnova, Ekaterina S.; Snegirev, Nikita I.; Lyubutin, Igor S.; Starchikov, Sergey S.; Artemov, Vladimir V.; Lyubutina, Marianna V.; Yagupov, Sergey V.; Strugatsky, Mark B.; Mogilenec, Yuliya A.; Seleznyova, Kira A.; Alekseeva, Olga A.
Flux growth, structure refinement and Mössbauer studies of Fe<sub>1-</sub><sub>x</sub>Ga<sub>x</sub>BO<sub>3</sub> single crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 1100-1108
2312817 CIF
HKL		B Fe0.17 Ga0.83 O3R -3 c :H4.5766; 4.5766; 14.246
90; 90; 120		258.41Smirnova, Ekaterina S.; Snegirev, Nikita I.; Lyubutin, Igor S.; Starchikov, Sergey S.; Artemov, Vladimir V.; Lyubutina, Marianna V.; Yagupov, Sergey V.; Strugatsky, Mark B.; Mogilenec, Yuliya A.; Seleznyova, Kira A.; Alekseeva, Olga A.
Flux growth, structure refinement and Mössbauer studies of Fe<sub>1-</sub><sub>x</sub>Ga<sub>x</sub>BO<sub>3</sub> single crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 1100-1108
2312818 CIF
HKL		B Ga O3R -3 c :H4.5641; 4.5641; 14.178
90; 90; 120		255.77Smirnova, Ekaterina S.; Snegirev, Nikita I.; Lyubutin, Igor S.; Starchikov, Sergey S.; Artemov, Vladimir V.; Lyubutina, Marianna V.; Yagupov, Sergey V.; Strugatsky, Mark B.; Mogilenec, Yuliya A.; Seleznyova, Kira A.; Alekseeva, Olga A.
Flux growth, structure refinement and Mössbauer studies of Fe<sub>1-</sub><sub>x</sub>Ga<sub>x</sub>BO<sub>3</sub> single crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 1100-1108
2312819 CIFO4 Pb2 SnP 42/m b c8.7276; 8.7276; 6.297
90; 90; 90		479.65Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn
Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 979-991
2312820 CIFO4 Pb2 SnP b a m8.7288; 8.7263; 6.2969
90; 90; 90		479.64Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn
Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 979-991
2312821 CIFO4 Pb2 SnP b a m9.1901; 7.9508; 6.2893
90; 90; 90		459.55Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn
Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 979-991
2312822 CIFO4 Pb2 SnP b a m9.3799; 7.2103; 6.325
90; 90; 90		427.77Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn
Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 979-991
2312823 CIFO4 Pb2 SnP b a m9.3641; 6.8646; 6.3553
90; 90; 90		408.52Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn
Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 979-991
2312824 CIFO4 Pb2 SnP b a m9.3169; 6.6337; 6.3808
90; 90; 90		394.37Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn
Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 979-991
2312825 CIFO4 Pb2 SnP n a m9.2484; 6.4498; 6.4096
90; 90; 90		382.33Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn
Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 979-991
2312826 CIFO4 Pb2 SnP n a m9.183; 6.4046; 6.3727
90; 90; 90		374.8Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn
Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 979-991
2312827 CIFO4 Pb2 SnP n a m9.0691; 6.3282; 6.311
90; 90; 90		362.2Spahr, Dominik; Stękiel, Michał; Zimmer, Dominik; Bayarjargal, Lkhamsuren; Bunk, Katja; Morgenroth, Wolfgang; Milman, Victor; Refson, Keith; Jochym, Dominik; Byrne, Peter J. P.; Winkler, Björn
Pressure-induced Pb-Pb bonding and phase transition in Pb<sub>2</sub>SnO<sub>4</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2020, 76, 979-991
2312834 CIFC8 H14 Fe O12P -15.2066; 7.3264; 9.2475
108.907; 105.498; 92.31		318.455Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo
Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312835 CIFC8 H14 Fe O12P -15.2066; 7.3264; 9.2475
108.907; 105.498; 92.31		318.455Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo
Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312836 CIFC4 H7 Fe0.5 O6P -15.2066; 7.3264; 9.2475
108.907; 105.498; 92.31		318.455Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo
Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312837 CIFC4 H7 Fe0.5 O6P -15.2066; 7.3264; 9.2475
108.907; 105.498; 92.31		318.455Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo
Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312838 CIFC8 H14 Fe O12P -15.20542; 7.32708; 9.24798
108.873; 105.572; 92.2943		318.38Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo
Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312855 CIF
HKL		C4 H16 Cl4 Mn N2I 4/m m m5.1748; 5.1748; 22.112
90; 90; 90		592.13Jakhi, Shatakshi S.; Dhanetwal, Meenal; Reddy, V. Raghavendra; Hathwar, Venkatesha R.
Effect of the transition metal on the structure and order-disorder phase transition in layered hybrid metal halides (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>[MCl<sub>4</sub>] (M = Mn and Co).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312856 CIF
HKL		C4 H16 Cl4 Mn N2P b c a7.3088; 7.1675; 22.1136
90; 90; 90		1158.44Jakhi, Shatakshi S.; Dhanetwal, Meenal; Reddy, V. Raghavendra; Hathwar, Venkatesha R.
Effect of the transition metal on the structure and order-disorder phase transition in layered hybrid metal halides (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>[MCl<sub>4</sub>] (M = Mn and Co).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312857 CIF
HKL		C4 H16 Cl4 Co N2P n m a10.0173; 7.4027; 17.5837
90; 90; 90		1303.92Jakhi, Shatakshi S.; Dhanetwal, Meenal; Reddy, V. Raghavendra; Hathwar, Venkatesha R.
Effect of the transition metal on the structure and order-disorder phase transition in layered hybrid metal halides (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>[MCl<sub>4</sub>] (M = Mn and Co).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312858 CIF
HKL		C4 H16 Cl4 Co N2P 21 21 219.7066; 7.6312; 16.9019
90; 90; 90		1251.97Jakhi, Shatakshi S.; Dhanetwal, Meenal; Reddy, V. Raghavendra; Hathwar, Venkatesha R.
Effect of the transition metal on the structure and order-disorder phase transition in layered hybrid metal halides (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>[MCl<sub>4</sub>] (M = Mn and Co).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
5000003 CIFC4 H10 N2 O4P 21 21 215.593; 9.827; 11.808
90; 90; 90		649Verbist, J. J.; Lehmann, M. S.; Koetzle, T. F.; Hamilton, W. C.
Precision neutron diffraction structure determination of protein and nucleic acid components. VI. The crystal and molecular structure of the amino acid L-asparagine monohydrate
Acta Crystallographica Section B, 1972, 28, 3006-3013
5000004 CIFC4 H7 N O4P 1 21 17.617; 6.982; 5.142
90; 99.84; 90		269.44Derissen, J. L.; Endeman, H. J.; Peerdeman, A. F.
The crystal and molecular structure of L-aspartic acid
Acta Crystallographica Section B, 1968, 24, 1349-1354
5000006 CIFC5 H10 N2 O3P 21 21 2116.02; 7.762; 5.119
90; 90; 90		636.53Koetzle, T. F.; Frey, M. N.; Lehmann, M. S.; Hamilton, W. C.
Precision neutron diffraction structure determination of protein and nucleic acid components. XIII. Molecular and crystal structure of the amino acid L-glutamine
Acta Crystallographica Section B, 1973, 29, 2571-2575
5000007 CIF
Paper		C5 H10 Cl N O4P 21 21 215.151; 11.789; 13.347
90; 90; 90		810.5Sequeira, A.; Rajagopal, H.; Chidambaram, R.
A neutron diffraction study of the structure of L-glutamic acid.HCl
Acta Crystallographica Section B, 1972, 28, 2514-2519
5000009 CIFC6 H9 N3 O2P 1 21 15.172; 7.384; 9.474
90; 97.162; 90		358.99Madden, J. J.; McGandy, E. L.; Seeman, N. C.; Harding, M. M.; Hoy, A.
The crystal structure of the monoclinic form of L-histidine
Acta Crystallographica Section B, 1972, 28, 2382-2389
5000011 CIFC6 H19 Cl N2 O4P 1 21 17.492; 13.32; 5.879
90; 97.79; 90		581.27Koetzle, T. F.; Lehmann, M. S.; Verbist, J. J.; Hamilton, W. C.
Precision neutron diffraction structure determination of protein and nucleic acid components. VII. The crystal and molecular structure of the amino acid L-lysine monohydrochloride dihydrate
Acta Crystallographica Section B, 1972, 28, 3207-3214
5000013 CIFC9 H12 Cl N O2P 21 21 2127.763; 7.059; 5.38
90; 90; 90		1054.37Al-Karaghouli, A. R.; Koetzle, T. F.
Neutron diffraction study of L-phenylalanine hydrochloride
Acta Crystallographica Section B, 1975, 31, 2461-2465
5000015 CIFC3 H7 N O3P 21 21 218.599; 9.348; 5.618
90; 90; 90		451.59Kistenmacher, T. J.; Rand, G. A.; Marsh, R. E.
Refinements of the crystal structures of DL-serine and anhydrous L-serine
Acta Crystallographica Section B, 1974, 30, 2573-2578
5000018 CIFC10 H13 N5 O4P 1 21 14.825; 10.282; 11.823
90; 99.3; 90		578.84Lai, T. F.; Marsh, R. E.
The crystal structure of adenosine
Acta Crystallographica Section B, 1972, 28, 1982-1989
5000020 CIFC10 H17 N5 O7P 1 21 117.518; 11.502; 6.658
90; 98.17; 90		1327.92Thewalt, U.; Bugg, C. E.; Marsh, R. E.
The crystal structure of guanosine dihydrate and inosine dihydrate
Acta Crystallographica Section B, 1970, 26, 1089-1101
5000021 CIFC10 H14 N2 O5P 21 21 214.86; 13.91; 16.32
90; 90; 90		1103.27Young, D. W.; Tollin, P.; Wilson, H. R.
The crystal and molecular structure of thymidine
Acta Crystallographica Section B, 1969, 25, 1423-1432
5000022 CIFC12 H18 N2 O10P 1 21 111.159; 14.461; 4.821
90; 101.15; 90		763.28Morikawa, K.; Torii, K.; Iitaka, Y.; Tsuboi, M.
Uridine-5-oxyacetic acid methyl ester monohydrate
Acta Crystallographica Section B, 1975, 31, 1004-1007
5000023 CIFC12 H8 Cl2P 1 21/n 115.78; 13.74; 9.682
90; 96.23; 90		2086.83Brock, C. P.; Kuo, M. S.; Levy, H. A.
4,4'-Dichlorobiphenyl: crystal packing in para-substituted biphenyls
Acta Crystallographica Section B, 1978, 34, 981-985
5000024 CIFC12 Cl10P b c n13.372; 10.497; 11.992
90; 90; 90		1683.27Pedersen, B.
Decachlorobiphenyl, C~12~Cl~10~: the crystal and molecular structure
Acta Crystallographica Section B, 1975, 31, 2931-2933
5000031 CIFC18 H25 O2.499P 21 21 212.055; 19.28; 6.63
90; 90; 90		1540.95Busetta, B.; Hospital, M.
Structure cristalline et moleculaire de l'oestradiol hemihydrate
Acta Crystallographica Section B, 1972, 28, 560-567
5000032 CIFC18 H22 O2P 21 21 2110.043; 18.424; 7.787
90; 90; 90		1440.85Busetta, B.; Courseille, C.; Hospital, M.
Structure cristallines et moleculaires de trois formes polymorphes de l'oestrone
Acta Crystallographica Section B, 1973, 29, 298-313
5000038 CIFO2 ZrF m -3 m5.1291; 5.1291; 5.1291
90; 90; 90		134.9Martin, U; Boysen, H; Frey, F
Neutron powder investigation of tetragonal and cubic stabilized zirconia, TZP and CSZ, at temperatures up to 1400 K
Acta Crystallographica Section B, 1993, 49, 403-413
5000063 CIFC6 H8 O7P 1 21/a 112.817; 5.628; 11.465
90; 111.22; 90		770.94Glusker, J. P.; Minkin, J. A.; Patterson, A. L.
X-ray crystal analysis of the substrates of aconitase. IX. A refinement of the structure of anhydrous citric acid
Acta Crystallographica Section B, 1969, 25, 1066-1072
5000065 CIFC6 H12 O6P 21 21 218.088; 9.204; 10.034
90; 90; 90		746.95Kanters, J. A.; Roelofsen, G.; Alblas, B. P.; Meinders, I.
The crystal and molecular structure of β-d-fructose, with emphasis on anomeric effect and hydrogen-bond interactions
Acta Crystallographica Section B, 1977, 33, 665-672
5000078 CIFC4 H3 F N2 O2P -19.22; 12.66; 12.67
89.7; 43.9; 98.6		1000.08Fallon, III, L.
The crystal and molecular structure of 5-fluorouracil
Acta Crystallographica Section B, 1973, 29, 2549-2556
5000084 CIFC22 H29 F O4P 21 21 2111.319; 22.803; 7.381
90; 90; 90		1905.09Dupont, L.; Dideberg, O.; Campsteyn, H.
Structure cristalline de la l7-désoxyméthasone, C~22~H~29~O~4~F
Acta Crystallographica Section B, 1974, 30, 514-516
5000095 CIFAl1.26 Be3 Fe0.32 H2.2 Mg0.42 Na0.45 O19.1 Si6P 6/m c c9.292; 9.292; 9.193
90; 90; 120		687.4Artioli, G.; Rinaldi, R.; Wilson, C. C.; Zanazzi, P. F.
Single-crystal pulsed neutron diffraction of a highly hydrous beryl
Acta Crystallographica B (39,1983-), 1995, 51, 733-737
5000102 CIFC17 H19 N O3P 1 21/n 18.743; 13.364; 13.147
90; 108.66; 90		1455.37Grynpas, M.; Lindley, P. F.
The crystal and molecular structure of 1-piperoylpiperidine
Acta Crystallographica Section B, 1975, 31, 2663-2667
5000111 CIFC27 H46 OP 114.172; 34.209; 10.481
94.64; 90.67; 96.32		5032.77Shieh, H.-S.; Hoard, L. G.; Nordman, C. E.
The structure of cholesterol
Acta Crystallographica Section B, 1981, 37, 1538-1543
5000131 CIFC5 H6 N4 O SC 1 2/c 115.294; 7.732; 12.379
90; 101.64; 90		1433.75Sletten, E.; Sletten, J.; Jensen, L. H.
The crystal and molecular structure of 6-mercaptopurine monohydrate
Acta Crystallographica Section B, 1969, 25, 1330-1338
5000140 CIFC6 H2 Cl N3 O6P 1 21/a 111.02; 6.795; 14.964
90; 124.15; 90		927.31Willis, J. S.; Stewart, J. M.; Ammon, H. L.; Preston, H. S.; Gluyas, R. E.; Harris, P. M.
The crystal structure of picryl chloride
Acta Crystallographica Section B, 1971, 27, 786-793
5000142 CIFC6 H4 N2 O5P 21 21 216.106; 23.24; 5.168
90; 90; 90		733.36Kagawa, T.; Kawai, R.; Kashino, S.; Haisa, M.
The crystal and molecular structure of 2,4-dinitrophenol
Acta Crystallographica Section B, 1976, 32, 3171-3175
5000144 CIFC H4 N4 O2F d d 217.6152; 24.8502; 3.588
90; 90; 90		1570.62Choi, C. S.
Refinement of 2-nitroguanidine by neutron powder diffraction
Acta Crystallographica Section B, 1981, 37, 1955-1957
5000148 CIFC3 H6 N6 O6P b c a13.182; 11.574; 10.709
90; 90; 90		1633.86Choi, C. S.; Prince, E.
The crystal structure of cyclotrimethylenetrinitramine
Acta Crystallographica Section B, 1972, 28, 2857-2862
5000150 CIFC6 H3 N3 O6P b c a9.78; 26.94; 12.82
90; 90; 90		3377.73Choi, C. S.; Abel, J. E.
The crystal structure of 1,3,5-trinitrobenzene by neutron diffraction
Acta Crystallographica Section B, 1972, 28, 193-201
5000151 CIFC6 H4.339 N3 O8.669P -3 c 112.6077; 12.6077; 10.1147
90; 90; 120		1392.37Pierce-Butler, M.
Structures of 2,4,6-trinitro-1.3-benzenediol 2/3-hydrate and 2,4,6-trinitro-1,3,5-benzenetriol 2/3-hydrate
Acta Crystallographica Section B, 1982, 38, 3097-3100
5000152 CIFC H5 N3 O4P 1 21/c 19.543; 8.201; 7.498
90; 124.25; 90		485.05Worsham, Jr, J. E.; Busing, W. R.
The crystal structure of uronium nitrate (urea nitrate) by neutron diffraction
Acta Crystallographica Section B, 1969, 25, 572-578
5000153 CIFC H6 N4 SP 1 21/c 14.74; 15.53; 7.19
90; 122.4; 90		446.88Braibanti, A.; Tiripicchio, A.; Camellini, M. T.
Crystal and molecular structure of thiocarbohydrazide
Acta Crystallographica Section B, 1969, 25, 2286-2290
5000154 CIFC5 H8 N4 O12P c n b13.29; 13.49; 6.83
90; 90; 90		1224.5Cady, H. H.; Larson, A. C.
Pentaerythritol tetranitrate II: its crystal structure and transformation to PETN I; an algorithm for refinement of crystal structures with poor data
Acta Crystallographica Section B, 1975, 31, 1864-1869
5000158 CIFC12 H22 O4P 1 21/c 113.105; 4.921; 10.183
90; 97.4; 90		651.23Vanier, M.; Brisse, F.
Nouvel affinement de la structure de l'acide dodécanedioïque
Acta Crystallographica Section B, 1982, 38, 643-645
5000165 CIFC15 H13 N OC 1 c 116.77; 4.83; 15.85
90; 115.4; 90		1159.73Haisa, M.; Kashino, S.; Ueno, T.; Shinozaki, N.; Matsuzaki, Y.
The structures of N-aromatic amides: p-acetanisidide, N-2-naphthylacetamide and N-2-fluorenylacetamide
Acta Crystallographica Section B, 1980, 36, 2306-2311
5000166 CIFC8 H8 OP 1 21/n 110.256; 8.678; 8.558
90; 121; 90		652.88Tanimoto, Y.; Kobayashi, H.; Nagakura, S.; Saito, Y.
The crystal structure of acetophenone at 154 K
Acta Crystallographica Section B, 1973, 29, 1822-1826
5000168 CIFC14 H10P 1 21/a 18.5526; 6.0158; 11.172
90; 124.596; 90		473.168Brock, C. P.; Dunitz, J. D.
Temperature dependence of thermal motion in crystalline anthracene
Acta Crystallographica Section B, 1990, 46, 795-806
5000169 CIFC6 H11 N OC 1 2/c 119.28; 7.78; 9.57
90; 112.39; 90		1327.27Winkler, F. K.; Dunitz, J. D.
Medium-ring compounds. XIX. Caprolactam: structure refinement
Acta Crystallographica Section B, 1975, 31, 268-269
5000173 CIFC7 H8 OP 1 21/c 15.7; 11.71; 18.13
90; 99.07; 90		1194.99Bois, C.
Structure du p-crésol à basse témperature
Acta Crystallographica Section B, 1970, 26, 2086-2092
5000181 CIFC14 H10P 1 21 18.441; 6.14; 9.438
90; 97.96; 90		484.44Petricek, V.; Cisarova, I.; Hummel, L.; Kroupa, J.; Brezina, B.
Orientational disorder in phenanthrene. Structure determination at 248, 295, 339 and 344 K
Acta Crystallographica Section B, 1990, 46, 830-832
5000183 CIFC H4 N2 SP b n m5.488; 7.663; 8.564
90; 90; 90		360.16Takahashi, I.; Onodera, A.; Shiozaki, Y.
Structural changes of thiourea in connection with its phase transitions: reappraisal of rigidity and libration of the molecule
Acta Crystallographica Section B, 1990, 46, 661-664
5000192 CIFC11 H23 Br OP 1 21 147.1; 5.26; 31.14
90; 132.9; 90		5651.43Rosen, L. S.; Hybl, A.
The crystal structure of 11-bromoundecanol
Acta Crystallographica Section B, 1972, 28, 610-617
5910043 CIF
Paper		C4 H7 N3 O2P 1 21/c 17.728; 9.817; 7.52
90; 100.5; 90		561M. Eisenstein
Static deformation densities for cytosine and adenine
Acta Crystallographica Section B, 1988, 44, 412-426
5910086 CIFK2 O13 W4P -315.566; 15.566; 3.746
90; 90; 120		786.1Okada, K.; Marumo, F.; Iwai, S. I.
The crystal structure of K2 W4 O13
Acta Crystallographica B (24,1968-38,1982), 1978, 34, 3193-3195
5910115 CIF
Paper		C2 H6 OP 1 c 15.377; 6.882; 8.255
90; 102.2; 90		298.6P.-G. Jönsson
Hydrogen bond studies. CXIII. The crystal structure of ethanol at 87 K
Acta Crystallogr.,Sect.B:Struct.Crystallogr.Cryst.Chem., 1976, 32, 232-235
6000092 CIFCo O6 Pb2 WI2/m7.9602; 5.6779; 5.6967
90; 90.047; 90		257.47Baldinozzi, G.; Calvarin, G.; Sciau, P.; Grebille, D.; Suard, E.
Neutron Rietveld refinement of the incommensurate phase of the ordered perovskite Pb2CoWO6
Acta Crystallographica B, 2000, 56, 570-576
6000193 CIF
Paper		C13 H36 Si4F m -3 m12.8902; 12.8902; 12.8902
90; 90; 90		2141.8Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander
Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~
Acta Crystallographica Section B, 1999, 55, 1014-1029
6000194 CIF
Paper		C12 H36 Si5F m -3 m13.5218; 13.5218; 13.5218
90; 90; 90		2472.31Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander
Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~
Acta Crystallographica Section B, 1999, 55, 1014-1029
6000195 CIF
Paper		C12 H36 Si5P 21 313.17158; 13.17158; 13.17158
90; 90; 90		2285.14Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander
Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~
Acta Crystallographica Section B, 1999, 55, 1014-1029
6000196 CIF
Paper		C13 H36 Si4P 21 312.609; 12.609; 12.609
90; 90; 90		2004.7Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander
Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~
Acta Crystallographica Section B, 1999, 55, 1014-1029
6000197 CIF
Paper		C13 H36 Si4P a -312.7876; 12.7876; 12.7876
90; 90; 90		2091.06Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander
Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~
Acta Crystallographica Section B, 1999, 55, 1014-1029
6000198 CIF
Paper		C15 H25 N O2 SP 1 21/c 116.96; 8.1382; 11.781
90; 104.777; 90		1572.28Tremayne, Maryjane; MacLean, Elizabeth J.; Tang, Chiu C.; Glidewell, Christopher
2,4,6-Triisopropylbenzenesulfonamide: Monte Carlo structure solution from X-ray powder diffraction data for a molecular system containing four independent asymmetric rotors
Acta Crystallographica Section B, 1999, 55, 1068-1074
6000447 CIFC8 H24 N2 O4 SF11.026; 11.026; 11.026
90; 90; 90		1340.46Malchus, M.; Jansen, M.
Structural investigations of the phase transitions of tetramethylammonium sulfate
Acta Crystallographica B, 1998, 54, 494-502
6000571 CIFCs D O4 SP 1 21/c 17.7801; 8.1392; 7.7219
90; 110.872; 90		456.89Belushkin, A. V.; David, W. I. F.; Ibberson, R. M.; Shuvalov, L. A.
High-resolution neutron powder diffraction studies of the structure of CsDSO4
Acta Crystallographica B, 1991, 47, 161-166
6000576 CIFC D6 I NP b m a7.1743; 7.0967; 8.8323
90; 90; 90		449.69Yamamuro, O.; Matsuo, T.; Suga, H.; David, W. I. F.; Ibberson, R. M.; Leadbetter, A. J.
Neutron-diffraction and calorimetric studies of methylammonium iodide
Acta Crystallographica B, 1992, 48, 329-336
9007500 CIFAg3 As S3C 1 2/c 112; 6.26; 17.08
90; 110; 90		1205.67Engel, P.; Nowacki, W.
Die kristallstruktur von Ag3AsS3
Acta Crystallographica, Section B, 1968, 24, 77-81
9007501 CIFCu H6 O7 SC 1 c 15.592; 13.029; 7.341
90; 97.05; 90		530.808Zahrobsky, R. F.; Baur, W. H.
On the crystal chemistry of salt hydrates. V. The determination of the crystal structure of CuSO4*3H2O (bonattite) Locality: synthetic
Acta Crystallographica, Section B, 1968, 24, 508-513
9007502 CIFFe1.08 H15 Mg0.2 Mn0.25 O16 S2 Zn0.47P 1 21/n 110.526; 17.872; 7.136
90; 100.13; 90		1321.5Susse, P.
Die kristallstruktur des botryogens
Acta Crystallographica, Section B, 1968, 24, 760-767
9007503 CIFAl4.3 As0.905 Ca0.47 Cu0.06 Fe0.2 H4 Mg Mn3.53 O28 Si5 V0.095P n m m :28.7126; 5.8108; 18.5214
90; 90; 90		937.686Donnay G; Allmann R
Si3O10 groups in the crystal structure of ardennite
Acta Crystallographica, Section B, 1968, 24, 845-855
9007504 CIFAs2 H8 O9P 1 21/c 17.6; 13.29; 8.24
90; 109.6; 90		784.049Worzala, H.
Die kristallstruktur des arsensaurehydrates 2H3AsO4.H2O
Acta Crystallographica, Section B, 1968, 24, 987-991
9007505 CIFCa Cu2.64 H12 O17 S2 Zn1.36C 1 2/c 122.186; 6.25; 21.853
90; 113.36; 90		2781.81Sabelli, C.; Zanazzi, P. F.
The crystal structure of serpierite
Acta Crystallographica, Section B, 1968, 24, 1214-1221
9007506 CIFAl3 B Fe0.1 Mg0.9 O9 SiP b n m10.335; 10.978; 5.76
90; 90; 90		653.516Stephenson, D. A.; Moore, P. B.
The crystal structure of grandidierite, (Mg,Fe)Al3SiBO9
Acta Crystallographica, Section B, 1968, 24, 1518-1522
9007507 CIFB F4 NaC m c m6.8368; 6.2619; 6.7916
90; 90; 90		290.758Brunton, G.
Refinement of the structure of NaBF4
Acta Crystallographica, Section B, 1968, 24, 1703-1704
9007508 CIFB F4 KP n m a8.6588; 5.48; 7.0299
90; 90; 90		333.57Brunton, G.
The crystal structure of KBF4
Acta Crystallographica, Section B, 1969, 25, 2161-2162
9007509 CIFAl2.71 Ca1.9 Fe0.15 H3 Mg0.45 O14 Si2.79A 1 2/m 18.83; 5.9; 19.17
90; 97.12; 90		990.998Galli, E.; Alberti, A.
On the crystal structure of pumpellyite
Acta Crystallographica, Section B, 1969, 25, 2276-2281
9007510 CIFAg5 S4 SbC m c 217.873; 12.467; 8.583
90; 90; 90		842.445Ribar, B.; Nowacki, W.
Die kristallstruktur von stephanit, [SbS3|S|Ag5]
Acta Crystallographica, Section B, 1970, 26, 201-207
9007511 CIFAs2 Ca2 H2 O8P -17.0591; 6.8906; 7.2006
97.43; 103.55; 87.75		337.625Ferraris, G.; Chiari, G.
The crystal structure of CaHAsO4 (weilite)
Acta Crystallographica, Section B, 1970, 26, 403-409
9007512 CIFCa2 H4 Mn O10 P2P -15.79; 6.57; 5.51
102.27; 108.67; 90.3		193.428Fanfani, L.; Nunzi, A.; Zanazzi, P. F.
The crystal structure of fairfieldite
Acta Crystallographica, Section B, 1970, 26, 640-645
9007513 CIFAl H3 O3P -15.114; 5.082; 5.127
70.27; 74; 58.47		106.089Bosmans, H. J.
Unit cell and crystal structure of nordstrandite, Al(OH)3
Acta Crystallographica, Section B, 1970, 26, 649-652
9007514 CIFCu7 S4P n m a7.89; 7.84; 11.01
90; 90; 90		681.052Koto, K.; Morimoto, N.
The crystal structure of anilite
Acta Crystallographica, Section B, 1970, 26, 915-924
9007515 CIFAs H15 Na2 O11P 1 21/n 19.401; 11.025; 10.674
90; 95.5; 90		1101.22Baur, W. H.; Khan, A. A.
On the crystal chemistry of salt hydrates. VI. The crystal structures of disodium hydrogen orthoarsenate heptahydrate and of disodium hydrogen orthophosphate heptahydrate
Acta Crystallographica, Section B, 1970, 26, 1584-1596
9007516 CIFH15 Na2 O11 PP 1 21/n 19.258; 11.007; 10.437
90; 95.61; 90		1058.47Baur, W. H.; Khan, A. A.
On the crystal chemistry of salt hydrates. VI. The crystal structures of disodium hydrogen orthoarsenate heptahydrate and of disodium hydrogen orthophosphate heptahydrate
Acta Crystallographica, Section B, 1970, 26, 1584-1596
9007517 CIFAs Cu3 S4P m n 217.407; 6.436; 6.154
90; 90; 90		293.37Adiwidjaja, G.; Lohn, J.
Strukturverfeinerung von enargit, Cu3AsS4
Acta Crystallographica, Section B, 1970, 26, 1878-1879
9007518 CIFAs Ca H5 O6I 1 a 15.9745; 15.434; 6.2797
90; 114.83; 90		525.525Ferraris, G.; Jones, D. W.; Yerkess, J.
Determination of hydrogen atom positions in the crystal structure of pharmacolite, CaHAsO4(H2O)2, by neutron diffraction
Acta Crystallographica, Section B, 1971, 27, 349-354
9007519 CIFC11 H10 O2 SP 21 21 2118.331; 9.012; 5.949
90; 90; 90		982.769Christensen, A. T.; Thom, E.
The crystal structure of 2-dimenthylsulfuranylidene-1,3-indanedione
Acta Crystallographica, Section B, 1971, 27, 581-586

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