Crystallography Open Database

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COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
1566461 CIFC13 H11 N O5P 21 21 215.3386; 9.9878; 22.3493
90; 90; 90
1191.68Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566462 CIFC13 H11 N O5P 21 21 215.3386; 9.9878; 22.3493
90; 90; 90
1191.68Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566463 CIFC13 H11 N O5P 21 21 215.3386; 9.9878; 22.3493
90; 90; 90
1191.68Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566464 CIFC13 H11 N O5P 21 21 215.3386; 9.9878; 22.3493
90; 90; 90
1191.68Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566465 CIFC13 H11 N O5P 21 21 215.3386; 9.9878; 22.3493
90; 90; 90
1191.68Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566466 CIFC13 H11 N O5P 21 21 215.3386; 9.9878; 22.3493
90; 90; 90
1191.68Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566467 CIFC8 H18 Mg O14P 1 21/c 110.195; 11.759; 6.6206
90; 103.67; 90
771.2Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566468 CIFC8 H18 Mg O14P 1 21/c 110.195; 11.759; 6.6206
90; 103.67; 90
771.2Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566469 CIFC8 H18 Mg O14P 1 21/c 110.195; 11.759; 6.6206
90; 103.67; 90
771.2Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566470 CIFC8 H18 Mg O14P 1 21/c 110.195; 11.759; 6.6206
90; 103.67; 90
771.2Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566471 CIFC8 H18 Mg O14P 1 21/c 110.195; 11.759; 6.6206
90; 103.67; 90
771.2Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566472 CIFC8 H18 Mg O14P 1 21/c 110.195; 11.759; 6.6206
90; 103.67; 90
771.2Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566473 CIFC8 H18 Mg O14P 1 21/c 110.195; 11.759; 6.6206
90; 103.67; 90
771.2Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566474 CIFC8 H18 Mg O14P 1 21/c 110.195; 11.759; 6.6206
90; 103.67; 90
771.2Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566475 CIFC8 H18 Mg O14P 1 21/c 110.195; 11.759; 6.6206
90; 103.67; 90
771.2Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566476 CIFC8 H18 Mg O14P 1 21/c 110.195; 11.759; 6.6206
90; 103.67; 90
771.2Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566477 CIFC8 H18 Mg O14P 1 21/c 110.195; 11.759; 6.6206
90; 103.67; 90
771.2Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566478 CIFC8 H18 Mg O14P 1 21/c 110.195; 11.759; 6.6206
90; 103.67; 90
771.2Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566479 CIFC8 H18 Mg O14P 1 21/c 110.195; 11.759; 6.6206
90; 103.67; 90
771.2Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566480 CIFC8 H18 Mg O14P 1 21/c 110.195; 11.759; 6.6206
90; 103.67; 90
771.2Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566481 CIFC8 H18 Mg O14P 1 21/c 110.195; 11.759; 6.6206
90; 103.67; 90
771.2Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566482 CIFC8 H18 Mg O14P 1 21/c 110.195; 11.759; 6.6206
90; 103.67; 90
771.2Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566483 CIFC8 H18 Mg O14P 1 21/c 110.195; 11.759; 6.6206
90; 103.67; 90
771.2Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566484 CIFC5 H12 O5P 21 21 218.264; 8.901; 8.9223
90; 90; 90
656.3Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566485 CIFC5 H12 O5P 21 21 218.264; 8.901; 8.9223
90; 90; 90
656.3Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566486 CIFC5 H12 O5P 21 21 218.264; 8.901; 8.9223
90; 90; 90
656.3Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566487 CIFC5 H12 O5P 21 21 218.264; 8.901; 8.9223
90; 90; 90
656.3Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566488 CIFC5 H12 O5P 21 21 218.264; 8.901; 8.9223
90; 90; 90
656.3Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566489 CIFC5 H12 O5P 21 21 218.264; 8.901; 8.9223
90; 90; 90
656.3Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566490 CIFC5 H12 O5P 21 21 218.264; 8.901; 8.9223
90; 90; 90
656.3Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566491 CIFC5 H12 O5P 21 21 218.264; 8.901; 8.9223
90; 90; 90
656.3Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566492 CIFC5 H12 O5P 21 21 218.264; 8.901; 8.9223
90; 90; 90
656.3Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566493 CIFC5 H12 O5P 21 21 218.264; 8.901; 8.9223
90; 90; 90
656.3Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566494 CIFC5 H12 O5P 21 21 218.264; 8.901; 8.9223
90; 90; 90
656.3Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566495 CIFC5 H12 O5P 21 21 218.264; 8.901; 8.9223
90; 90; 90
656.3Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566496 CIFC5 H12 O5P 21 21 218.264; 8.901; 8.9223
90; 90; 90
656.3Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566497 CIFC5 H12 O5P 21 21 218.264; 8.901; 8.9223
90; 90; 90
656.3Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566498 CIFC5 H12 O5P 21 21 218.264; 8.901; 8.9223
90; 90; 90
656.3Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566499 CIFC5 H12 O5P 21 21 218.264; 8.901; 8.9223
90; 90; 90
656.3Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566500 CIFC5 H12 O5P 21 21 218.264; 8.901; 8.9223
90; 90; 90
656.3Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566501 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566502 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566503 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566504 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566505 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566506 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566507 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566508 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566509 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566510 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297

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