Crystallography Open Database

Information card for entry 7048251

Preview

Coordinates	7048251.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H25 N5 O3
Calculated formula	C28 H25 N5 O3
Title of publication	A benzimidazolyl terpyridine-Fe<sup>2+</sup> system and its recognition driven molecular model of a traffic light.
Authors of publication	Sonkar, Avinash Kumar; Rai, Abhishek; Tripathi, Kamini; Sharma, Pooja; Roesky, H. W.; Drew, Michael G. B.; Mishra, Lallan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	48
Journal issue	1
Pages of publication	158 - 167
a	19.159 ± 0.003 Å
b	4.1134 ± 0.0006 Å
c	30.426 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2397.8 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0638
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1061
Weighted residual factors for all reflections included in the refinement	0.1196
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
223933 (current)	2019-11-07	cif/ Updating files of 7048251, 7048252, 7048253 Original log message: Adding full bibliography for 7048251--7048253.cif.	7048251.cif
212204	2018-11-28	cif/ Adding structures of 7048251, 7048252, 7048253 via cif-deposit CGI script.	7048251.cif