Crystallography Open Database

Information card for entry 7243236

Preview

Coordinates	7243236.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H80 I8 N20 O8 Pb3 Re6 S8
Calculated formula	C42 H80 I8 N20 O8 Pb3 Re6 S8
Title of publication	One-dimensional lead iodide hybrid stabilized by inorganic hexarhenium cluster cations as a new broad-band emitter
Authors of publication	Ly, Giang Thi; Choi, Jun; Kim, Youngmee; Kim, Yuna; Kim, Sujin; Yang, So-Hyeon; Kim, Sung-Jin
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	40
Pages of publication	24580 - 24587
a	10.5488 ± 0.0005 Å
b	11.229 ± 0.0005 Å
c	19.1582 ± 0.001 Å
α	90.416 ± 0.003°
β	93.892 ± 0.003°
γ	97.737 ± 0.002°
Cell volume	2243.18 ± 0.19 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.1348
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
267584 (current)	2021-07-16	cif/ Adding structures of 7243235, 7243236 via cif-deposit CGI script.	7243236.cif