Crystallography Open Database

Information card for entry 7010197

Preview

Coordinates	7010197.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H128 Ca2 Cl4 F6 N18 O28
Calculated formula	C96 H128 Ca2 Cl4 F6 N18 O28
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	26.4943 ± 0.0001 Å
b	15.3545 ± 0.0001 Å
c	27.8604 ± 0.0002 Å
α	90°
β	109.244 ± 0.001°
γ	90°
Cell volume	10700.5 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1447
Residual factor for significantly intense reflections	0.0771
Weighted residual factors for significantly intense reflections	0.1736
Weighted residual factors for all reflections included in the refinement	0.2005
Goodness-of-fit parameter for all reflections included in the refinement	0.945
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
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.	7010197.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010197.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010197.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010197.cif