Crystallography Open Database

Information card for entry 4345043

Preview

Coordinates	4345043.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 N6 O10 Zn
Calculated formula	C22 H18 N6 O10 Zn
SMILES	C1(=O)c2c(C(=O)O)[nH]c(C)[n]2[Zn]2(O1)([OH2])([n]1c(C(=O)O2)c(C(=O)O)[nH]c1C)[OH2].c1cc(ccn1)c1ccncc1
Title of publication	Series d-f Heteronuclear Metal-Organic Frameworks: Color Tunability and Luminescent Probe with Switchable Properties.
Authors of publication	Feng, Xun; Feng, Yuquan; Guo, Nan; Sun, Yiling; Zhang, Tian; Ma, Lufang; Wang, Liya
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	3
Pages of publication	1713 - 1721
a	5.4593 ± 0.0005 Å
b	6.3761 ± 0.0006 Å
c	17.7415 ± 0.0017 Å
α	93.204 ± 0.0009°
β	91.7556 ± 0.0009°
γ	102.199 ± 0.0009°
Cell volume	602.11 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1473
Weighted residual factors for all reflections included in the refinement	0.1478
Goodness-of-fit parameter for all reflections included in the refinement	1.193
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
193453 (current)	2017-03-04	cif/ Updating files of 4345043, 4345044 Original log message: Adding full bibliography for 4345043--4345044.cif.	4345043.cif
190668	2017-01-19	cif/ Adding structures of 4345043 via cif-deposit CGI script.	4345043.cif