Crystallography Open Database

Information card for entry 1512983

Preview

Coordinates	1512983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H15 Co N3 O7 S
Calculated formula	C13 H15 Co N3 O7 S
Title of publication	Synthesis, characterization and X-ray crystallographic investigation of 2-D hybrid hydrogen bonded and rectangular grid networks in Cu(II) and Co(II) metal complexes
Authors of publication	Amal Cherian Kathalikkattil; Kamal Kumar Bisht; P.S. Subramanian; Eringathodi Suresh
Journal of publication	Polyhedron
Year of publication	2010
Journal volume	29
Journal issue	7
Pages of publication	1801 - 1809
a	11.53 ± 0.004 Å
b	13.921 ± 0.005 Å
c	10.17 ± 0.004 Å
α	90°
β	95.452 ± 0.006°
γ	90°
Cell volume	1625 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1107
Residual factor for significantly intense reflections	0.0869
Weighted residual factors for significantly intense reflections	0.2088
Weighted residual factors for all reflections included in the refinement	0.2213
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
288193 (current)	2023-12-08	cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9828. This change affected only the misspelt variants of the '_exptl_absorpt_process_details' data name.	1512983.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512983.cif
91312	2013-12-12	cif/ Adding structures of 1512982, 1512983 via cif-deposit CGI script.	1512983.cif