Crystallography Open Database

Information card for entry 7220246

7220245 << 7220246 >> 7220247

Preview

Coordinates	7220246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H13 Cl Cu N2 O6
Calculated formula	C14 H13 Cl Cu N2 O6
SMILES	[Cu]12(Cl)([OH]Cc3[n]1cc(cc3)C(=O)[O-])[OH]Cc1[n]2cc(cc1)C(=O)O
Title of publication	Isolation of first row transition metal‒carboxylate zwitterions
Authors of publication	Armaghan, Mahsa; Lu, Wei-Yu; Wu, Di; Wei, Yao; Yuan, Feng-Ling; Weng, Ng Seik; MOHHAMADPOUR AMINI, MOSTAFA; Zhang, Wen-Hua; Young, David James; Hor, Andy; Lang, Jian-Ping
Journal of publication	RSC Adv.
Year of publication	2015
a	7.5935 ± 0.0003 Å
b	7.7855 ± 0.0004 Å
c	14.672 ± 0.0007 Å
α	83.035 ± 0.001°
β	86.383 ± 0.001°
γ	61.421 ± 0.001°
Cell volume	756.08 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0271
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.0647
Weighted residual factors for all reflections included in the refinement	0.0661
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7220246.cif
135774	2015-05-08	cif/ Adding structures of 7220236, 7220237, 7220238, 7220239, 7220240, 7220241, 7220242, 7220243, 7220244, 7220245, 7220246, 7220247, 7220248, 7220249, 7220250, 7220251, 7220252 via cif-deposit CGI script.	7220246.cif