Crystallography Open Database

Information card for entry 4003388

Preview

Coordinates	4003388.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H42 Cl3 N9 O18 Yb2
Calculated formula	C39 H42 Cl3 N9 O18 Yb2
Title of publication	Nanosheets of Two-Dimensional Neutral Coordination Polymers Based on Near-Infrared-Emitting Lanthanides and a Chlorocyananilate Ligand
Authors of publication	Ashoka Sahadevan, Suchithra; Monni, Noemi; Abhervé, Alexandre; Marongiu, Daniela; Sarritzu, Valerio; Sestu, Nicola; Saba, Michele; Mura, Andrea; Bongiovanni, Giovanni; Cannas, Carla; Quochi, Francesco; Avarvari, Narcis; Mercuri, Maria Laura
Journal of publication	Chemistry of Materials
Year of publication	2018
Journal volume	30
Journal issue	18
Pages of publication	6575
a	9.7317 ± 0.0003 Å
b	13.5934 ± 0.0005 Å
c	19.6218 ± 0.0006 Å
α	90°
β	96.451 ± 0.003°
γ	90°
Cell volume	2579.27 ± 0.15 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.056
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.1224
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
231562 (current)	2019-11-22	cif/ Adding structures of 4003388 via cif-deposit CGI script.	4003388.cif