Crystallography Open Database

Information card for entry 7703663

Preview

Coordinates	7703663.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H4 Cd N6 O8 Pb2
Calculated formula	C6 H4 Cd N6 O8 Pb2
Title of publication	"Old dog, new tricks": the lone pair effect inducing divergent optical responses in lead cyanurates containing π-bonds.
Authors of publication	Meng, Xianghe; Kang, Kaijin; Liang, Fei; Tang, Jian; Lin, Zheshuai; Yin, Wenlong; Xia, Mingjun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	5
Pages of publication	1370 - 1374
a	15.9504 ± 0.0012 Å
b	7.0252 ± 0.0004 Å
c	12.0267 ± 0.0008 Å
α	90°
β	118.914 ± 0.007°
γ	90°
Cell volume	1179.66 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0197
Residual factor for significantly intense reflections	0.0181
Weighted residual factors for significantly intense reflections	0.0448
Weighted residual factors for all reflections included in the refinement	0.0455
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
248768 (current)	2020-03-04	cif/ Adding structures of 7703663, 7703664 via cif-deposit CGI script.	7703663.cif