Crystallography Open Database

Information card for entry 4518699

Preview

Coordinates	4518699.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H7 N O6 Zn
Calculated formula	C7 H7 N O6 Zn
Title of publication	Catalytic C-H Bond Activation and Knoevenagel Condensation Using Pyridine-2,3-Dicarboxylate-Based Metal-Organic Frameworks.
Authors of publication	Pandey, Rampal; Singh, Durgesh; Thakur, Neha; Raj, Krishna K.
Journal of publication	ACS omega
Year of publication	2021
Journal volume	6
Journal issue	20
Pages of publication	13240 - 13259
a	7.7081 ± 0.0004 Å
b	15.6681 ± 0.0007 Å
c	7.7483 ± 0.0004 Å
α	90°
β	113.824 ± 0.002°
γ	90°
Cell volume	856.04 ± 0.07 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0374
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0538
Weighted residual factors for all reflections included in the refinement	0.0567
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
265749 (current)	2021-06-04	cif/ Updating files of 4518699, 4518700, 4518701 Original log message: Adding full bibliography for 4518699--4518701.cif.	4518699.cif
265148	2021-05-13	cif/ Adding structures of 4518699, 4518700, 4518701 via cif-deposit CGI script.	4518699.cif