Crystallography Open Database

Information card for entry 4512704

Preview

Coordinates	4512704.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 N O11 Zn2
Calculated formula	C18 H14 N O11 Zn2
Title of publication	Additive Effects in the Formation of Fluorescent Zinc Metal‒Organic Frameworks with 5-Hydroxyisophthalate
Authors of publication	Hill, Matthew D.; El-Hankari, Samir; Chiacchia, Mauro; Tizzard, Graham J.; Coles, Simon J.; Bradshaw, Darren; Kitchen, Jonathan A.; Keene, Tony D.
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	3
Pages of publication	1452
a	23.6519 ± 0.0017 Å
b	13.0546 ± 0.0009 Å
c	26.462 ± 0.0019 Å
α	90°
β	115.424 ± 0.003°
γ	90°
Cell volume	7379.3 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.1628
Residual factor for significantly intense reflections	0.0993
Weighted residual factors for significantly intense reflections	0.2577
Weighted residual factors for all reflections included in the refinement	0.2899
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179675 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/27.	4512704.cif
134741	2015-04-04	cif/ Updating files of 4512701, 4512702, 4512703, 4512704 Original log message: Adding full bibliography for 4512701--4512704.cif.	4512704.cif
131780	2015-02-13	cif/ Adding structures of 4512704 via cif-deposit CGI script.	4512704.cif