Crystallography Open Database

Information card for entry 7714558

Preview

Coordinates	7714558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H9 Cu O4 P S2
Calculated formula	C12 H9 Cu O4 P S2
Title of publication	A new series of magnetic and luminescent layered hybrid materials obtained from thianthrene phosphonic acid: M(H<sub>2</sub>O)PO<sub>3</sub>-S<sub>2</sub>C<sub>12</sub>H<sub>7</sub> (M = Cu, Zn) and M(H<sub>2</sub>O)<sub>2</sub>(PO<sub>2</sub>OH-S<sub>2</sub>C<sub>12</sub>H<sub>7</sub>)<sub>2</sub> (M = Mn, Co).
Authors of publication	Letheux, Geoffrey; Ganesan, Parameshwari; Veillon, Fabien; Varignon, Julien; Perez, Olivier; Cardin, Julien; Labbé, Christophe; Rogez, Guillaume; Ligeour, Mathilde; Jaffrès, Paul-Alain; Rueff, Jean-Michel
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
a	22.0156 ± 0.0005 Å
b	7.6616 ± 0.0002 Å
c	7.5811 ± 0.0002 Å
α	90°
β	95.297 ± 0.002°
γ	90°
Cell volume	1273.28 ± 0.06 Å³
Cell temperature	290.15 ± 0.1 K
Ambient diffraction temperature	293 ± 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	0.0608
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1436
Weighted residual factors for all reflections included in the refinement	0.1659
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
287822 (current)	2023-11-28	cif/ Adding structures of 7714555, 7714556, 7714557, 7714558, 7714559 via cif-deposit CGI script.	7714558.cif