Crystallography Open Database

Information card for entry 7010196

Preview

Coordinates	7010196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H28 Cl2 F Mg N3 O8
Calculated formula	C16 H24 Cl2 F Mg N3 O8
Title of publication	X-Ray crystal structures of Mg2+ and Ca2+ dimers of the antibacterial drug norfloxacin
Authors of publication	Chen, Zhen-Feng; Xiong, Ren-Gen; Zuo, Jing-Lin; Guo, Zijian; You, Xiao-Zeng; Fun, Hoong-Kun
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	22
Pages of publication	4013
a	8.8109 ± 0.0005 Å
b	10.8325 ± 0.0007 Å
c	11.6965 ± 0.0007 Å
α	85.825 ± 0.001°
β	87.127 ± 0.001°
γ	85.462 ± 0.001°
Cell volume	1108.8 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1165
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1653
Weighted residual factors for all reflections included in the refinement	0.1928
Goodness-of-fit parameter for all reflections included in the refinement	0.908
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179805 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/01.	7010196.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010196.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010196.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010196.cif