Crystallography Open Database

Information card for entry 7712526

Preview

Coordinates	7712526.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H7 I3 N2 Pb S
Calculated formula	C3 H7 I3 N2 Pb S
Title of publication	Effect of Pd(II) uptake on high-temperature phase transitions in a hybrid organic-inorganic perovskite semiconductor.
Authors of publication	Xu, Yan; Xu, Ke; He, Lei; Mu, Jie; Yin, Ti-Jian; Men, Jin-Tao; Ye, Qiong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	12
Pages of publication	3815 - 3820
a	8.7522 ± 0.0015 Å
b	17.62 ± 0.002 Å
c	8.2301 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1269.2 ± 0.3 Å³
Cell temperature	377 ± 2 K
Ambient diffraction temperature	377.15 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P m c n
Hall space group symbol	-P 2n 2a
Residual factor for all reflections	0.0803
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1548
Weighted residual factors for all reflections included in the refinement	0.1844
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283330 (current)	2023-05-05	cif/ Updating files of 7712524, 7712525, 7712526 Original log message: Adding full bibliography for 7712524--7712526.cif.	7712526.cif
281299	2023-03-04	cif/ Adding structures of 7712524, 7712525, 7712526 via cif-deposit CGI script.	7712526.cif