Crystallography Open Database

Information card for entry 1547220

Preview

Coordinates	1547220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H13 I3 N2 O Pb
Calculated formula	C4 H13 I3 N2 O Pb
Title of publication	Crystal Structure of DMF-Intermediate Phases Uncovers the Link Between CH3NH3PbI3 Morphology and Precursor Stoichiometry
Authors of publication	Petrov, Andrey A.; Sokolova, Iuliia P.; Belich, Nikolai A.; Peters, Georgy S.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.; Petrov, Andrey V.; Grätzel, Michael; Goodilin, Eugene A.; Tarasov, Alexey B.
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2017
Journal volume	121
Journal issue	38
Pages of publication	20739
a	4.5647 ± 0.0009 Å
b	25.446 ± 0.005 Å
c	12.119 ± 0.002 Å
α	90°
β	96.75 ± 0.03°
γ	90°
Cell volume	1397.9 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1247
Residual factor for significantly intense reflections	0.1036
Weighted residual factors for significantly intense reflections	0.226
Weighted residual factors for all reflections included in the refinement	0.2459
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.9699 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201751 (current)	2017-10-05	cif/ Updating files of 1547218, 1547219, 1547220 Original log message: Adding full bibliography for 1547218--1547220.cif.	1547220.cif
200988	2017-09-19	cif/ Adding structures of 1547220 via cif-deposit CGI script.	1547220.cif