Crystallography Open Database

Information card for entry 7060440

Preview

Coordinates	7060440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H15 N5 O4 Zn
Calculated formula	C20 H15 N5 O4 Zn
Title of publication	Construction of a series of metal-directed MOFs to explore their physical and chemical properties
Authors of publication	Akhtar, Sohel; Singha, Pabitra; De, Avik; Das, Krishna Sundar; Saha, Sayan; Bala, Sukhen; Mondal, Raju
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	14
Pages of publication	6438 - 6449
a	14.5651 ± 0.0008 Å
b	15.7498 ± 0.0009 Å
c	16.6824 ± 0.0009 Å
α	90°
β	104.218 ± 0.0014°
γ	90°
Cell volume	3709.7 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0716
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.109
Weighted residual factors for all reflections included in the refinement	0.1226
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
264929 (current)	2021-05-05	cif/ Updating files of 7060438, 7060439, 7060440, 7060441, 7060442, 7060443, 7060444 Original log message: Adding full bibliography for 7060438--7060444.cif.	7060440.cif
262985	2021-03-11	cif/ Adding structures of 7060438, 7060439, 7060440, 7060441, 7060442, 7060443, 7060444 via cif-deposit CGI script.	7060440.cif