Crystallography Open Database

Information card for entry 7234991

Preview

Coordinates	7234991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H58 Br4 N10 Se4 Zn2
Calculated formula	C54 H58 Br4 N10 Se4 Zn2
Title of publication	Luminescent zinc(ii) selone macrocyclic ring
Authors of publication	Prabusankar, Ganesan; Raju, Gembali; Vaddamanu, Moulali; Muthukumaran, Nirmala; Sathyanarayana, Arruri; Nakamura, Shin-ya; Masaya, Yamane; Hisano, Kyohei; Tsutsumi, Osamu; Biswas, Chinmoy; Kumar Raavi, Sai Santosh
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	26
Pages of publication	14841
a	11.5441 ± 0.0009 Å
b	14.9994 ± 0.0013 Å
c	18.5505 ± 0.0018 Å
α	90°
β	105.613 ± 0.009°
γ	90°
Cell volume	3093.6 ± 0.5 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0815
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1272
Weighted residual factors for all reflections included in the refinement	0.1676
Goodness-of-fit parameter for all reflections included in the refinement	1.0377
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223458 (current)	2019-11-07	cif/ Adding structures of 7234990, 7234991 via cif-deposit CGI script.	7234991.cif