Crystallography Open Database

Information card for entry 1540715

Preview

Coordinates	1540715.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Sr-NDI
Formula	C44 H44 N4 O23 Sr2
Calculated formula	C44 H44 N4 O23 Sr2
Title of publication	Photochromic metal‒organic frameworks for inkless and erasable printing
Authors of publication	Garai, Bikash; Mallick, Arijit; Banerjee, Rahul
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	3
Pages of publication	2195
a	28.4784 ± 0.0007 Å
b	28.4784 ± 0.0007 Å
c	13.6334 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	11057 ± 0.5 Å³
Cell temperature	200.01 ± 0.1 K
Ambient diffraction temperature	200.01 ± 0.1 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.181
Residual factor for significantly intense reflections	0.1393
Weighted residual factors for significantly intense reflections	0.3624
Weighted residual factors for all reflections included in the refinement	0.3919
Goodness-of-fit parameter for all reflections included in the refinement	0.93
Diffraction radiation probe	x-ray
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
177715 (current)	2016-03-05	cif/ Updating files of 1540715 Original log message: Adding full bibliography for 1540715.cif.	1540715.cif
171667	2015-12-22	cif/ Adding structures of 1540715 via cif-deposit CGI script.	1540715.cif