Crystallography Open Database

Information card for entry 4003402

Preview

Coordinates	4003402.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H54 I14 N5 Pb4
Calculated formula	C17 H54 I14 N5 Pb4
Title of publication	General Synthesis Principles for Ruddlesden‒Popper Hybrid Perovskite Halides from a Dynamic Equilibrium
Authors of publication	Oswald, Iain W. H.; Koegel, Alexandra A.; Neilson, James R.
Journal of publication	Chemistry of Materials
Year of publication	2018
Journal volume	30
Journal issue	23
Pages of publication	8606
a	38.8253 ± 0.0014 Å
b	8.9127 ± 0.0003 Å
c	8.8276 ± 0.0003 Å
α	90°
β	90.264 ± 0.001°
γ	90°
Cell volume	3054.65 ± 0.18 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0719
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1257
Weighted residual factors for all reflections included in the refinement	0.1399
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4003402.html