Crystallography Open Database

Information card for entry 7008260

Preview

Coordinates	7008260.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H26 Cl2 F N5 O2
Calculated formula	C12 H26 Cl2 F N5 O2
Title of publication	Induction of B- to Z-DNA transition by copper and zinc complexes with C(15) substituted macrocyclic pentaaza ligands.
Authors of publication	Spingler, Bernhard; Da Pieve, Chiara
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	9
Pages of publication	1637 - 1643
a	10.8155 ± 0.0005 Å
b	10.2095 ± 0.0005 Å
c	16.5041 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1822.4 ± 0.17 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0581
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1508
Weighted residual factors for all reflections included in the refinement	0.1567
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
179786 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/82.	7008260.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008260.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008260.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008260.cif