Crystallography Open Database

Information card for entry 7209727

7209726 << 7209727 >> 7209728

Preview

Coordinates	7209727.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H15 Cu N O6
Calculated formula	C11 H15 Cu N O6
Title of publication	Chirality and absolute helicity in a pair of enantiomeric amino acid derivatives and their complexes: structures, chiroptical, and photoluminescent properties
Authors of publication	Li, Xinfa; Zhao, Huajun; Zeng, Qihua
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	18
Pages of publication	3593
a	7.5385 ± 0.00001 Å
b	7.5385 ± 0.00001 Å
c	22.7308 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1291.77 ± 0.006 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0632
Weighted residual factors for all reflections included in the refinement	0.0649
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
180428 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/97.	7209727.cif
86080	2013-05-09	cif/ Adding structures of 7209725, 7209726, 7209727, 7209728 via cif-deposit CGI script.	7209727.cif