Crystallography Open Database

Information card for entry 7058678

Preview

Coordinates	7058678.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound1
Formula	C16 H12 Cd N2 O9 S
Calculated formula	C16 H12 Cd N2 O9 S
Title of publication	A luminescent inorganic‒organic hybrid, [Cd(C16H10N2O8S)(H2O)], for the selective and recyclable detection of chromates and dichromates in aqueous solution
Authors of publication	Kundu, Tanaya; Manna, Krishna; Jana, Ajay K.; Natarajan, Srinivasan
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	33
Pages of publication	13263
a	4.9378 ± 0.0003 Å
b	10.8625 ± 0.0006 Å
c	31.1686 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1671.79 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0435
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0598
Weighted residual factors for all reflections included in the refinement	0.0627
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
224759 (current)	2019-11-08	cif/ Updating files of 7058678 Original log message: Adding full bibliography for 7058678.cif.	7058678.cif
217298	2019-07-30	cif/ Adding structures of 7058678 via cif-deposit CGI script.	7058678.cif