Crystallography Open Database

Information card for entry 7056822

Preview

Coordinates	7056822.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 Cl2 Fe2 N7 P3
Calculated formula	C28 H36 Cl2 Fe2 N7 P3
Title of publication	Syntheses, spectroscopic and crystallographic characterizations of cis- and trans-dispirocyclic ferrocenylphosphazenes: molecular dockings, cytotoxic and antimicrobial activities
Authors of publication	Tümer, Yasemin; Asmafiliz, Nuran; Zeyrek, C. Tuğrul; Kılıç, Zeynel; Açık, Leyla; Çelik, S. Pınar; Türk, Mustafa; Çağdaş Tunalı, B.; Ünver, Hüseyin; Hökelek, Tuncer
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	3
Pages of publication	1740
a	33.5336 ± 0.0006 Å
b	13.8058 ± 0.0003 Å
c	15.6001 ± 0.0004 Å
α	90°
β	111.439 ± 0.002°
γ	90°
Cell volume	6722.5 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.1056
Residual factor for significantly intense reflections	0.0725
Weighted residual factors for significantly intense reflections	0.1394
Weighted residual factors for all reflections included in the refinement	0.1595
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
230566 (current)	2019-11-17	cif/ Updating files of 7056822, 7056823, 7056824, 7056825 Original log message: Adding full bibliography for 7056822--7056825.cif.	7056822.cif
204339	2017-12-19	cif/ Adding structures of 7056822, 7056823, 7056824, 7056825 via cif-deposit CGI script.	7056822.cif