Crystallography Open Database

Information card for entry 7712525

Preview

Coordinates	7712525.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H14 I6 N4 Pb2 S2
Calculated formula	C5 H14 I6 N3 Pb2 S2
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	8.992 ± 0.0014 Å
b	17.951 ± 0.004 Å
c	8.1262 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1311.7 ± 0.4 Å³
Cell temperature	416.15 K
Ambient diffraction temperature	416.15 K
Number of distinct elements	6
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.1056
Residual factor for significantly intense reflections	0.0872
Weighted residual factors for significantly intense reflections	0.2707
Weighted residual factors for all reflections included in the refinement	0.2945
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7712525.cif
281299	2023-03-04	cif/ Adding structures of 7712524, 7712525, 7712526 via cif-deposit CGI script.	7712525.cif