Crystallography Open Database

Information card for entry 4102163

Preview

Coordinates	4102163.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	InPyrene
Formula	C53 H53 In2 N3 O17
Calculated formula	C48 H24 In2 O10
Title of publication	A Guest-Responsive Fluorescent 3D Microporous Metal-Organic Framework Derived from a Long-Lifetime Pyrene Core
Authors of publication	Kyriakos C. Stylianou; Romain Heck; Samantha Y. Chong; John Bacsa; James T. A. Jones; Yaroslav Z. Khimyak; Darren Bradshaw; Matthew J. Rosseinsky
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	4119 - 4130
a	30.748 ± 0.018 Å
b	7.12 ± 0.004 Å
c	15.932 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	3488 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	65
Hermann-Mauguin space group symbol	C m m m
Hall space group symbol	-C 2 2
Residual factor for all reflections	0.0943
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.164
Weighted residual factors for all reflections included in the refinement	0.1741
Goodness-of-fit parameter for all reflections included in the refinement	0.975
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178767 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/21.	4102163.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102163.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102163.cif
25014	2011-09-08	../uploads/cif-deposit/cod/cif Adding structures of 4102163 via cif-deposit CGI script.	4102163.cif