Crystallography Open Database

Information card for entry 7058677

Preview

Coordinates	7058677.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 O8 Zn
Calculated formula	C16 H18 O8 Zn
Title of publication	Synthesis, characterization, theoretical studies and catecholase like activities of [MO6] type complexes
Authors of publication	Ahamad, M. Naqi; Kumar, Manjeet; Ansari, Azaj; I., Mantasha; Ahmad, Musheer; Shahid, M.
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	35
Pages of publication	14074
a	22.0421 ± 0.0007 Å
b	10.3423 ± 0.0003 Å
c	7.8461 ± 0.0002 Å
α	90°
β	106.932 ± 0.001°
γ	90°
Cell volume	1711.11 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0283
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0544
Weighted residual factors for all reflections included in the refinement	0.0564
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
224959 (current)	2019-11-08	cif/ Updating files of 7058676, 7058677 Original log message: Adding full bibliography for 7058676--7058677.cif.	7058677.cif
217297	2019-07-30	cif/ Adding structures of 7058676, 7058677 via cif-deposit CGI script.	7058677.cif