Crystallography Open Database

Information card for entry 1518371

Preview

Coordinates	1518371.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	H4BINDI
Chemical name	H4BINDI
Formula	C279.28 H164 N37 O100
Calculated formula	C279.28 H164 N37 O100
Title of publication	Solid state organic amine detection in a photochromic porous metal organic framework
Authors of publication	Mallick, Arijit; Garai, Bikash; Addicoat, Matthew A.; Petkov, Petko St.; Heine, Thomas; Banerjee, Rahul
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	2
Pages of publication	1420
a	33.067 ± 0.004 Å
b	14.8252 ± 0.0015 Å
c	17.1809 ± 0.0012 Å
α	90°
β	121.19 ± 0.01°
γ	90°
Cell volume	7205.1 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.1476
Residual factor for significantly intense reflections	0.1154
Weighted residual factors for significantly intense reflections	0.3613
Weighted residual factors for all reflections included in the refinement	0.3847
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518371.cif
133098	2015-03-06	cif/ Updating files of 1518371, 1518372 Original log message: Adding full bibliography for 1518371--1518372.cif.	1518371.cif
128161	2014-12-06	cif/ Adding structures of 1518371, 1518372 via cif-deposit CGI script.	1518371.cif