Crystallography Open Database

Information card for entry 7060441

Preview

Coordinates	7060441.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H21 N5 O6 Zn
Calculated formula	C21 H21 N5 O6 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	7.8286 ± 0.0003 Å
b	17.0971 ± 0.0007 Å
c	16.1032 ± 0.0007 Å
α	90°
β	95.512 ± 0.001°
γ	90°
Cell volume	2145.39 ± 0.15 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1214
Weighted residual factors for all reflections included in the refinement	0.1272
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7060441.cif
262985	2021-03-11	cif/ Adding structures of 7060438, 7060439, 7060440, 7060441, 7060442, 7060443, 7060444 via cif-deposit CGI script.	7060441.cif