Crystallography Open Database

Information card for entry 7220244

7220243 << 7220244 >> 7220245

Preview

Coordinates	7220244.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H15 Cl Cu N2 O7
Calculated formula	C14 H15 Cl Cu N2 O7
SMILES	[Cu]12(Cl)([OH]Cc3[n]1ccc(c3)C(=O)[O-])[OH]Cc1[n]2ccc(c1)C(=O)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	7.7474 ± 0.0007 Å
b	9.0283 ± 0.0008 Å
c	11.6264 ± 0.001 Å
α	81.603 ± 0.002°
β	80.274 ± 0.002°
γ	81.512 ± 0.002°
Cell volume	786.61 ± 0.12 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.0322
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0731
Weighted residual factors for all reflections included in the refinement	0.0758
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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.	7220244.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.	7220244.cif